FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Stockli, MP Welton, RF Keller, R Leitner, M AF Stockli, MP Welton, RF Keller, R Leitner, M TI Emittance studies with an Allison scanner SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT 11th International Conference on Ion Sources CY SEP 12-16, 2005 CL Caen, FRANCE ID ION-SOURCE; BEAM EMITTANCE; GHOST SIGNALS AB The Spallation Neutron Source H- source on the ion source test stand is being used to study the emittance of the H--ion beam injected into the SNS radiofrequency quadrupole (RFQ). The emittance measurements are performed with a LBNL Allison scanner that underwent several modifications. The slit width was optimized to improve the signal-to-noise ratio. In addition, the electric deflector plates were replaced with plates featuring a staircased surface. This modification is shown to suppress over 99% of ghost signals generated by the beam hitting the deflector plates. Both modifications, combined with noise suppression measures and a self-consistent analysis, yield highly accurate results. Measured emittances are presented as a function of the ion-beam current. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, SNS, Oak Ridge, TN 37831 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Stockli, MP (reprint author), Oak Ridge Natl Lab, SNS, POB 2008, Oak Ridge, TN 37831 USA. NR 17 TC 2 Z9 3 U1 2 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 03B706 DI 10.1063/1.2169812 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 041RK UT WOS:000237473200141 ER PT J AU Suslov, A Sarma, BK Ketterson, JB Balakirev, F Migliori, A Lacerda, A AF Suslov, A Sarma, BK Ketterson, JB Balakirev, F Migliori, A Lacerda, A TI Ultrasonic instrumentation for measurements in high magnetic fields. II. Pulsed magnetic fields SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB We describe two state-of-the-art ultrasonic interferometers designed for pulse-echo ultrasound measurements in the short-pulse (40 ms) and intermediate-pulse (400 ms) 60 T magnets of the National High Magnetic Field Laboratory facilities at Los Alamos, NM. One interferometer utilizes a more commonly used scheme which has been adapted for a pulsed field environment. The second interferometer exploits digital processing of the undetected signal: the ultrasonic signal is digitized, stored in a computer, and later, analyzed. (c) 2006 American Institute of Physics. C1 Univ Wisconsin, Dept Phys, Milwaukee, WI 53201 USA. Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. Los Alamos Natl Lab, MST, NHMFL, Los Alamos, NM 87545 USA. RP Suslov, A (reprint author), Florida State Univ, NHMFL, Tallahassee, FL 32310 USA. RI Ketterson, John/B-7234-2009; Suslov, Alexey/M-7511-2014 OI Suslov, Alexey/0000-0002-2224-153X NR 4 TC 2 Z9 2 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 035105 DI 10.1063/1.2173936 PN 1 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 031XS UT WOS:000236739100043 ER PT J AU Todd, DS Leitner, D Leitner, M Lyneis, CM Qiang, J Grote, DP AF Todd, DS Leitner, D Leitner, M Lyneis, CM Qiang, J Grote, DP TI Comparison of particle-in-cell simulation with experiment for the transport system of the superconducting electron cyclotron resonance ion source VENUS SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT 11th International Conference on Ion Sources CY SEP 12-16, 2005 CL Caen, FRANCE ID BEAMS; CODE AB The three-dimensional, particle-in-cell code WARP has been enhanced to allow end-to-end beam dynamics simulations of the VENUS beam transport system from the extraction region, through a mass-analyzing magnet, and up to a two-axis emittance scanner. This article presents the first results of comparisons between the simulation and experimental data. A helium beam (He+ and He2+) is chosen as an initial comparison beam due to its simple mass spectrum. Although a number of simplifications are made for the initial extracted beam, aberration characteristics appear in simulations that are also present in experimental phase-space current-density measurements. Further, measurements of phase-space tilt indicate that simulations must have little or no space-charge neutralization along the transport system to best agree with experiment. In addition, recent measurements of triangular beam structure immediately after the source are presented. This beam structure is related to the source magnetic confinement fields and will need to be taken into account as the initial beam approximations are lifted. (c) 2006 American Institute of Physics. C1 LBNL, Berkeley, CA 94720 USA. LLNL, Livermore, CA 94551 USA. RP Todd, DS (reprint author), LBNL, Berkeley, CA 94720 USA. NR 11 TC 7 Z9 7 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 03A338 DI 10.1063/1.2166677 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 041RK UT WOS:000237473200039 ER PT J AU Vondrasek, RC Scott, R Pardo, RC AF Vondrasek, RC Scott, R Pardo, RC TI ECRIS operation with multiple frequencies SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT 11th International Conference on Ion Sources CY SEP 12-16, 2005 CL Caen, FRANCE ID ION-SOURCE; UPGRADE AB The 10.5 GHz electron cyclotron resonance ion source (ECRIS) at Argonne National Laboratory has been utilizing a 10.5 GHz klystron and an 11 - 13 GHz traveling wave tube amplifier (TWTA) for beam production in two-frequency heating mode. The beam intensities obtained from the source with two-frequency heating have shown a factor of 2 improvement over single-frequency heating for the higher charge states. Following a simple logic that an increased number of resonance zones leads to enhanced source performance, a 14 GHz klystron was added to the source configuration enabling the plasma to be simultaneously excited with three discrete frequencies. In studies with three-frequency heating when compared to two-frequency heating, the beam intensity for O7+ increased from 70.4 to 84.2 e mu A, Kr23+ (mass 86, 99.9% enriched) increased from 3.5 to 7.2 e mu A, and Xe28+ (mass 136, 60% enriched) increased from 7.9 to 12.2 e mu A. A rf power combiner was added to the TWTA so that it could be driven simultaneously with two frequencies. With the TWTA operating at 10.85 and 12.66 GHz, the intensities of O6+ increased 80% and O7+ doubled compared to single-frequency operation, further demonstrating the multiple frequency heating effect except in this instance with a single transmitter. (c) 2006 American Institute of Physics. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Vondrasek, RC (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vondrasek@anl.gov NR 12 TC 9 Z9 9 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 03A337 DI 10.1063/1.2164895 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 041RK UT WOS:000237473200038 ER PT J AU Wall, JJ Fan, C Liaw, PK Liu, CT Choo, H AF Wall, JJ Fan, C Liaw, PK Liu, CT Choo, H TI A combined drop/suction-casting machine for the manufacture of bulk-metallic-glass materials SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CRYSTALLIZATION; FURNACE; DEVICE AB The development of a machine with the capability to manufacture bulk-amorphous metal-alloy castings with a wide range of geometries and dimensions is described. The design utilizes a method of melting and alloying elemental metals and subsequently quench casting while controlling relative pressures to facilitate both drop and suction castings within an ultrahigh purity environment(similar to 1 appm oxygen). The focus of this design was to improve the capabilities and simplicity of existing laboratory-scale metallic-glass casting machines, as well as to combine two major casting processes currently being utilized for the fabrication of bulk-metallic glasses (BMGs). Processing experiments on the glass-forming alloy Vitrelloy-105 (Zr52.5Cu17.9Ni14.6Al10Ti5) are discussed. The design is presented in a conceptual format, which will allow future units to be developed and, subsequently, utilized for their unique capabilities. It is believed that this document should be of interest to anyone who would like to develop the capability to produce BMGs on the laboratory scale. (c) 2006 American Institute of Physics. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Diffract & Thermophys Properties Grp, Oak Ridge, TN 37831 USA. RP Wall, JJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. RI Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 NR 12 TC 11 Z9 11 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 033902 DI 10.1063/1.2179415 PN 1 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 031XS UT WOS:000236739100024 ER PT J AU Welton, RF Stockli, MP Murray, SN Kang, Y Peters, J AF Welton, RF Stockli, MP Murray, SN Kang, Y Peters, J TI Initial tests of the Spallation Neutron Source H- ion source with an external antenna SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT 11th International Conference on Ion Sources CY SEP 12-16, 2005 CL Caen, FRANCE AB The ion source for the Spallation Neutron Source (SNS) is a radio-frequency (rf) multicusp source designed to deliver H- beam pulses of 40 mA to the SNS accelerator with a normalized root-mean-square emittance of less than 0.2 pi mm mrad, with a pulse length of I ms and a repetition rate of 60 Hz. In order to achieve this performance the source must operate with both high-pulse rf power, similar to 50 kW, and high average rf power, similar to 3.5 kW, over a continuous operational period of 3 weeks. During operation at these power levels the plasma-immersed, porcelain-coated rf antenna is susceptible to damage, limiting source lifetime. We are therefore developing an ion source where the plasma is separated from the Cu antenna by an Al2O3 discharge chamber. This article describes the ion source, presents initial beam extraction measurements. and details our ongoing effort to develop this concept into a suitable ion source for the SNS. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Accelerator Syst Div, Spallat Neuron Source, Oak Ridge, TN 37830 USA. DESY, D-2000 Hamburg, Germany. RP Welton, RF (reprint author), Oak Ridge Natl Lab, Accelerator Syst Div, Spallat Neuron Source, POB 2008, Oak Ridge, TN 37830 USA. NR 12 TC 5 Z9 5 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 03A508 DI 10.1063/1.2163322 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 041RK UT WOS:000237473200055 ER PT J AU Welton, RF Stockli, MP Murray, SN AF Welton, RF Stockli, MP Murray, SN TI Advances in the performance and understanding of the Spallation Neutron Source ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article; Proceedings Paper CT 11th International Conference on Ion Sources CY SEP 12-16, 2005 CL Caen, FRANCE AB The ion source developed for the Spallation Neutron Source (SNS) is a radio-frequency, multicusp source designed to produce similar to 40 mA of H- with a normalized rms emittance of less than 0.2 pi mm mrad. To date, the source has been utilized in the commissioning of the SNS accelerator and has already demonstrated stable, satisfactory operation at beam currents of 10-40 mA with duty factors of similar to 0.1% for operational periods of several weeks. Ultimately the SNS facility will require beam duty factors of 6% (1 ms pulse length, 60 Hz repetition rate). To ascertain the capability of the source to deliver beams at this duty factor over sustained periods, ongoing experiments are being performed in which the ion source is continuously operated on a dedicated test stand. The results of these tests are reported as well as a theory of the Cs release and transport processes that was derived from these data. The theory was then employed to develop a more effective source-conditioning procedure and a direct-transfer Cs collar, which led to a considerable improvement in source performance. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Accelerator Syst Div, Spallat Neutron Source, Oak Ridge, TN 37830 USA. RP Welton, RF (reprint author), Oak Ridge Natl Lab, Accelerator Syst Div, Spallat Neutron Source, POB 2008, Oak Ridge, TN 37830 USA. NR 12 TC 6 Z9 6 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAR PY 2006 VL 77 IS 3 AR 03A506 DI 10.1063/1.2163275 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 041RK UT WOS:000237473200053 ER PT J AU Kotula, PG Keenan, MR Michael, JR AF Kotula, PG Keenan, MR Michael, JR TI Tomographic spectral imaging with focused ion beam/scanning electron microscopy/energy-dispersive spectroscopy and multivariate statistical analysis: Comprehensive three-dimensional microanalysis SO SCANNING LA English DT Meeting Abstract C1 Sandia Natl Labs, Mat Characterizat Dept, Albuquerque, NM 87185 USA. NR 4 TC 3 Z9 3 U1 0 U2 1 PU FAMS INC PI MAHWAH PA BOX 832, MAHWAH, NJ 07430-0832 USA SN 0161-0457 J9 SCANNING JI Scanning PD MAR-APR PY 2006 VL 28 IS 2 BP 63 EP 63 PG 1 WC Instruments & Instrumentation; Microscopy SC Instruments & Instrumentation; Microscopy GA 035OZ UT WOS:000237012500012 ER PT J AU Graham, GA Bradley, JP Teslich, N Dai, ZR AF Graham, GA Bradley, JP Teslich, N Dai, ZR TI Application of focused ion beam microscopy to planetary and space sciences SO SCANNING LA English DT Meeting Abstract C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RI Dai, Zurong/E-6732-2010 NR 5 TC 0 Z9 0 U1 0 U2 1 PU FAMS INC PI MAHWAH PA BOX 832, MAHWAH, NJ 07430-0832 USA SN 0161-0457 J9 SCANNING JI Scanning PD MAR-APR PY 2006 VL 28 IS 2 BP 66 EP 67 PG 2 WC Instruments & Instrumentation; Microscopy SC Instruments & Instrumentation; Microscopy GA 035OZ UT WOS:000237012500017 ER PT J AU Kanungo, M Zorbas, V Wong, S AF Kanungo, M Zorbas, V Wong, S TI Spatially confined photo-oxidation catalyzed by functionalized atomic force microscopy tips SO SCANNING LA English DT Meeting Abstract C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. Univ Texas, Dept Chem, Richardson, TX 75083 USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU FAMS INC PI MAHWAH PA BOX 832, MAHWAH, NJ 07430-0832 USA SN 0161-0457 J9 SCANNING JI Scanning PD MAR-APR PY 2006 VL 28 IS 2 BP 84 EP 85 PG 2 WC Instruments & Instrumentation; Microscopy SC Instruments & Instrumentation; Microscopy GA 035OZ UT WOS:000237012500036 ER PT J AU Dimiduk, DM Koslowski, M LeSar, R AF Dimiduk, DM Koslowski, M LeSar, R TI Preface to the viewpoint set on: Statistical mechanics and coarse graining of dislocation behavior for continuum plasticity SO SCRIPTA MATERIALIA LA English DT Editorial Material DE dislocation dynamics; dislocation structure; plastic deformation; micromechanical modeling; statistical mechanics ID STRAIN GRADIENT PLASTICITY; CONTINUOUS DISTRIBUTIONS AB The technical communities of solid mechanics, mechanical engineering, computational mechanics. and materials science and engineering invest significant effort to develop physically-based models of material plasticity. However, a comprehensive macroscopic model based entirely on the unit mechanisms at microscopic scales remains elusive.. especially for crystalline solids. Internationally.. researchers have recently begun to build a new framework for crystal plasticity based on the statistical mechanics of dislocation motion and coarse graining of dislocation ensemble effects. We have assembled a viewpoint set that describes recent advances in theory, modeling and experiments, to which this article serves as an introduction. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 USAF, Res Lab, Mat & Mfg Directorate, AFRL,MLLM, Wright Patterson AFB, OH 45433 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Dimiduk, DM (reprint author), USAF, Res Lab, Mat & Mfg Directorate, AFRL,MLLM, Wright Patterson AFB, OH 45433 USA. EM dennis.dimiduk@wpafb.af.mil RI Koslowski, Marisol/B-3123-2008; LeSar, Richard/G-1609-2012 NR 14 TC 10 Z9 10 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 5 BP 701 EP 704 DI 10.1016/j.scriptamat.2005.11.027 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 004TO UT WOS:000234775400001 ER PT J AU Rickman, JM LeSar, R AF Rickman, JM LeSar, R TI Issues in the coarse-graining of dislocation energetics and dynamics SO SCRIPTA MATERIALIA LA English DT Article DE dislocation microstructures; stochastic dynamics; coarse-graining ID FIELD MICROELASTICITY THEORY; STATISTICAL-MECHANICS; LIQUID-CRYSTALS; PLASTICITY; MODEL; DEFORMATION; SYSTEMS; METALS; RENORMALIZATION; DISTRIBUTIONS AB We discuss the challenges and controversies involved in obtaining a coarse-grained description of dislocation energetics and dynamics. We start by outlining the structural and dynamical considerations, specific to dislocations, that are associated with homogenization. We then briefly review several existing strategies. Particular attention is paid to the role of dislocation substructure.. critical in determining mechanical response, in a coarse-grained representation. Finally, promising future research directions are highlighted. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lehigh Univ, Dept Mat Sci & Engn, Whitaker Lab 224, Bethlehem, PA 18015 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Rickman, JM (reprint author), Lehigh Univ, Dept Mat Sci & Engn, Whitaker Lab 224, 5 E Packer Ave, Bethlehem, PA 18015 USA. EM jmr6@lehigh.edu RI LeSar, Richard/G-1609-2012 NR 50 TC 11 Z9 11 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 5 BP 735 EP 739 DI 10.1016/j.scriptamat.2005.11.030 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 004TO UT WOS:000234775400007 ER PT J AU Peters, JS Hill, JM Russell, AM AF Peters, JS Hill, JM Russell, AM TI Direct reaction synthesis of Mg2B14 from elemental precursors SO SCRIPTA MATERIALIA LA English DT Article DE icosahedral borides; borides; X-ray diffraction (XRD); crystal structure ID CRYSTAL-STRUCTURE; REFINEMENT; MGALB14; ALMGB14; BORIDES AB Mg2B14 prepared by reaction of high-purity Mg and B was analyzed by X-ray diffraction and Rietveld analysis. The structure refinement for space group Imam resulted in residuals Rp = 6.95% and R-Bragg = 3.72% with lattice parameters a = 5.9738(3) angstrom, b = 8.1255(4) angstrom, and c = 10.4809(5) angstrom. AlMgB14 produced by the same method did not yield high-purity specimens. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Peters, JS (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM jphomer@iastate.edu OI Russell, Alan/0000-0001-5264-0104 NR 14 TC 14 Z9 15 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 5 BP 813 EP 816 DI 10.1016/j.scriptamat.2005.11.014 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 004TO UT WOS:000234775400020 ER PT J AU Jian, X Meek, TT Han, Q AF Jian, X Meek, TT Han, Q TI Refinement of eutectic silicon phase of aluminum A356 alloy using high-intensity ultrasonic vibration SO SCRIPTA MATERIALIA LA English DT Article DE eutectic solidification; aluminum alloys; microstructure; grain refining; ultrasonic vibration ID AL-SI ALLOYS; SOLIDIFICATION; NUCLEATION; PARTICLES; STRONTIUM; GROWTH AB The eutectic silicon in A356 alloy can be refined and modified using either chemical,. quench, or superheating modification. We observed, for the first time, that the eutectic silicon can also be significantly refined using high-intensity ultrasonic vibration. Rosette-like eutectic silicon is formed during solidification of specimen treated with high-intensity ultrasonic vibration. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM xjian@utk.edu NR 20 TC 107 Z9 122 U1 6 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 5 BP 893 EP 896 DI 10.1016/j.scriptamat.2005.11.004 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 004TO UT WOS:000234775400034 ER PT J AU Hou, PY McCarty, KF AF Hou, PY McCarty, KF TI Surface and interface segregation in beta-NiAl with and without Pt addition SO SCRIPTA MATERIALIA LA English DT Article DE oxidation; segregation; NiAl; platinum; sulfur ID SULFUR SEGREGATION; OXIDE ADHERENCE; SCALE ADHESION; ALLOYS; PLATINUM AB The segregation of alloying components and impurities to the surface and to the Al2O3/alloy interface after high temperature oxidation is examined and compared in stoichiometric and Ni-rich NiAl alloys with and without Pt addition. The relationship between surface/interface segregation and the role of Pt in enhancing Al2O3 scale adhesion is discussed. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Sandia Natl Labs, Livermore, CA 94550 USA. RP Hou, PY (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd,MS 62R203, Berkeley, CA 94720 USA. EM pyhou@lbl.gov RI McCarty, Kevin/F-9368-2012 OI McCarty, Kevin/0000-0002-8601-079X NR 20 TC 48 Z9 51 U1 4 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 5 BP 937 EP 941 DI 10.1016/j.scriptamat.2005.10.065 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 004TO UT WOS:000234775400042 ER PT J AU Kumar, M Schuh, CA AF Kumar, M Schuh, CA TI Preface to the viewpoint set on grain boundary engineering SO SCRIPTA MATERIALIA LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. RP Kumar, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mukul@llnl.gov RI Schuh, Christopher/C-7947-2009 NR 0 TC 25 Z9 25 U1 2 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 961 EP 962 DI 10.1016/j.scriptmat.2005.11.059 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500001 ER PT J AU Schwartz, AJ King, WE Kumar, M AF Schwartz, AJ King, WE Kumar, M TI Influence of processing method on the network of grain boundaries SO SCRIPTA MATERIALIA LA English DT Article DE thermomechanical processing; grain boundary networks; grain growth ID SITE-LATTICE BOUNDARIES; ACID-BATTERY ELECTRODES; HIGH-PURITY NICKEL; NI-BASED ALLOYS; INTERGRANULAR CORROSION; CHARACTER-DISTRIBUTION; CRACKING; CREEP; SUSCEPTIBILITY; ORIENTATION AB Improved properties are realized in certain materials by modification of the grain boundary character distribution (GBCD) through thermomechanical processing. Here, we evaluate the influence of different processing paths on the resulting GBCD and demonstrate that the primary effect is to reduce or break the connectivity of the network of random grain boundaries. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Schwartz, AJ (reprint author), Lawrence Livermore Natl Lab, L-041,7000 East Ave, Livermore, CA 94550 USA. EM schwartz6@llnl.gov NR 34 TC 34 Z9 34 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 963 EP 968 DI 10.1016/j.scriptamat.2005.11.052 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500002 ER PT J AU Field, DP Eames, RC Lillo, TM AF Field, DP Eames, RC Lillo, TM TI The role of shear stress in the formation of annealing twin boundaries in copper SO SCRIPTA MATERIALIA LA English DT Article DE twin boundaries; copper; electron backscatter diffraction (EBSD); equal channel angular extrusion (ECAE) Thin films ID GRAIN; POLYCRYSTALS AB Annealing twin boundaries are important in the evolution of grain boundary engineered materials. The development of annealing twins in face-centered cubic metals is a function of stacking fault energy and a number of other factors. It is observed that annealing heavily deformed copper under shear stress tends to promote the formation of twin boundaries. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Field, DP (reprint author), Washington State Univ, Sch Mech & Mat Engn, 201 Sloan Hall,Box 642920, Pullman, WA 99164 USA. EM field@mme.wsu.edu RI Field, David/D-5216-2012; Lilllo, Thomas/S-5031-2016 OI Field, David/0000-0001-9415-0795; Lilllo, Thomas/0000-0002-7572-7883 NR 11 TC 22 Z9 24 U1 1 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 983 EP 986 DI 10.1016/j.scriptamat.2005.11.037 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500005 ER PT J AU Reed, BW Kumar, M AF Reed, BW Kumar, M TI Mathematical methods for analyzing highly-twinned grain boundary networks SO SCRIPTA MATERIALIA LA English DT Article DE grain boundaries; microstructure; twinning; mechanical properties; modelling ID TRIPLE JUNCTIONS; COMBINATION RULE; FCC MATERIALS; MICROSTRUCTURE; DISTRIBUTIONS; POLYCRYSTALS; CONNECTIVITY; EVOLUTION; CRYSTALS AB Ail intuitive formalism is presented for analyzing inter-relationships among perfect Sigma 3 '' misorientations. The formalism is simple, precise, and guaranteed to be a mathematically complete description of the relevant rotation group. Examples are presented to show the advantages of the formalism, both computationally and for clarifying earlier literature results. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94551 USA. RP Reed, BW (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, 7000 East Ave, Livermore, CA 94551 USA. EM reed12@llnl.gov RI Reed, Bryan/C-6442-2013 NR 25 TC 26 Z9 26 U1 0 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1029 EP 1033 DI 10.1016/j.scriptamat.2005.11.045 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500013 ER PT J AU Holm, EA Duxbury, PM AF Holm, EA Duxbury, PM TI Three-dimensional materials science SO SCRIPTA MATERIALIA LA English DT Article DE modeling; microstructure; percolation; theory; simulation ID GRAIN-BOUNDARY NETWORKS; 3 DIMENSIONS; PERCOLATION; GROWTH; CONNECTIVITY; DYNAMICS AB Two-dimensional metallography has been very successful, but some phenomena must be understood in three dimensions (3D). New experimental and computational methods enable 3D characterization and modeling. Microstructural network analysis can provide insight into various 3D material properties. Because microstructural phase space is large, many important, open questions remain. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Mat & Proc Modeling, Albuquerque, NM 87185 USA. Michigan State Univ, Dept Phys & Astron, Lansing, MI USA. RP Sandia Natl Labs, Mat & Proc Modeling, POB 5800,MS 1411, Albuquerque, NM 87185 USA. EM eaholm@sandia.gov RI Holm, Elizabeth/S-2612-2016 OI Holm, Elizabeth/0000-0003-3064-5769 NR 24 TC 14 Z9 18 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1035 EP 1040 DI 10.1016/j.scriptamat.2005.11.048 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500014 ER PT J AU Alexandreanu, B Was, GS AF Alexandreanu, B Was, GS TI The role of stress in the efficacy of coincident site lattice boundaries in improving creep and stress corrosion cracking SO SCRIPTA MATERIALIA LA English DT Article DE EBSD; coincidence lattice; high temperature deformation; stress corrosion cracking ID GRAIN-BOUNDARY; INTERGRANULAR CRACKING; CHARACTER-DISTRIBUTION; 360-DEGREES-C ARGON; NI-16CR-9FE; ALLOYS; MISORIENTATION; CONNECTIVITY; BEHAVIOR; DESIGN AB While a consensus appears to exist on the improved resistance to intergranular stress corrosion cracking (SCC) initiation of coincidence site lattice boundaries (CSLBs) in austenitic alloys, the effect Of Such boundaries on SCC propagation is not well understood. Experimental results show a direct correlation between IGSCC and creep rate via the fraction of CSLBs. as well as a cause-and-effect relationship between grain boundary deformation and cracking. The objective of this paper is to highlight the importance of deformation in the SCC behavior. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Alexandreanu, B (reprint author), Argonne Natl Lab, Div Energy Technol, 9700 S Cass,ET-212,C207, Argonne, IL 60439 USA. EM tbogdan@anl.gov NR 25 TC 23 Z9 26 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1047 EP 1052 DI 10.1016/j.scriptamat.2005.11.051 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500016 ER PT J AU Weil, KS Kim, JY Hardy, JS Darsell, JT AF Weil, KS Kim, JY Hardy, JS Darsell, JT TI The effect of TiO2 on the wetting behavior of silver-copper oxide braze filler metals SO SCRIPTA MATERIALIA LA English DT Article DE brazing; wetting; air braze filler metal ID ALUMINA; ALLOYS; SYSTEM AB A series of silver-copper oxide ceramic brazing alloys was compositionally modified by doping with small amounts of titania. Subsequent contact angle measurements indicate that concentrations as low as 0.5 mol.% TiO2 can significantly enhance wettability over a wide range of binary silver-copper oxide compositions. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Weil, KS (reprint author), Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. EM scott.weil@pnl.gov RI Hardy, John/E-1938-2016 OI Hardy, John/0000-0002-1699-3196 NR 13 TC 16 Z9 17 U1 1 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1071 EP 1075 DI 10.1016/j.scriptamat.2005.12.003 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500020 ER PT J AU Park, HS Zimmerman, JA AF Park, HS Zimmerman, JA TI Stable nanobridge formation in < 1 1 0 > gold nanowires under tensile deformation SO SCRIPTA MATERIALIA LA English DT Article DE gold nanowires; atomistic simulations; nanobridge; stacking fault energy; multishell lattice structure ID GOLD NANOWIRES; MOLECULAR-DYNAMICS; PHASE-TRANSFORMATION; METAL NANOWIRES; CU NANOWIRES; FRACTURE; AMORPHIZATION; STRENGTH; MECHANISMS; STRAIN AB We present atomistic simulations of < 110 > oriented gold nanowires under tensile deformation. We find that < 110 > gold nanowires tend to form elongated, stable nanobridges upon necking, which is in agreement with previous experimental observations. In addition, the simulations reveal that the formation of a high strength multishell lattice structure during the plastic deformation of the < 110 > wires may account for the stability of the elongated nanobridges observed experimentally. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP Park, HS (reprint author), Vanderbilt Univ, Dept Civil & Environm Engn, VU Stn B 351831,2301 Vanderbilt Pl, Nashville, TN 37235 USA. EM harold.park@vanderbilt.edu RI Zimmerman, Jonathan/A-8019-2012; Park, Harold/B-1525-2008 OI Park, Harold/0000-0001-5365-7776 NR 35 TC 38 Z9 39 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1127 EP 1132 DI 10.1016/j.scriptamat.2005.11.064 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500030 ER PT J AU Han, BQ Huang, JY Zhu, YT Lavernia, EJ AF Han, BQ Huang, JY Zhu, YT Lavernia, EJ TI Effect of strain rate on the ductility of a nanostructured aluminum alloy SO SCRIPTA MATERIALIA LA English DT Article DE nanostructured; aluminium alloy; cryomilling; ductility; strain rate ID NANOCRYSTALLINE COPPER; MECHANICAL-BEHAVIOR; DEFORMATION-BEHAVIOR; TENSILE BEHAVIOR; GRAIN-SIZE; MG ALLOY; INSTABILITIES; TEMPERATURE; FLOW AB Nanostructured materials normally exhibit enhanced ductility at higher strain rate. In this paper we report the observation that a cryomilled nanostructured 5083 Al alloy exhibits the opposite behavior, i.e., higher ductility at lower strain rates. This phenomenon was rationalized by a diffusion-mediated stress relaxation mechanism that effectively delayed crack initiation events. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Han, BQ (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. EM bqhan@ucdavis.edu RI Zhu, Yuntian/B-3021-2008; Huang, Jianyu/C-5183-2008; Lavernia, Enrique/I-6472-2013 OI Zhu, Yuntian/0000-0002-5961-7422; Lavernia, Enrique/0000-0003-2124-8964 NR 26 TC 35 Z9 36 U1 3 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAR PY 2006 VL 54 IS 6 BP 1175 EP 1180 DI 10.1016/j.scriptamat.2005.11.035 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 007BE UT WOS:000234941500038 ER PT J AU Ramachandran, S Ernst, KH Bachand, GD Vogel, V Hess, H AF Ramachandran, S Ernst, KH Bachand, GD Vogel, V Hess, H TI Selective loading of kinesin-powered molecular shuttles with protein cargo and its application to biosensing SO SMALL LA English DT Article DE biomolecular motors; biosensors; kinesin; microtubules; molecular shuttles ID MOTOR PROTEINS; MICROTUBULE MOVEMENTS; TRANSPORT; SURFACES; PATTERNS; DRIVEN C1 Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. Swiss Fed Inst Mat Sci & Technol EMPA, Mol Surface Sci Grp, Dubendorf, Switzerland. Sandia Natl Labs, Biomol Mat & Interfaces Dept, Albuquerque, NM 87185 USA. Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. ETH Honggerberg, Dept Mat, CH-8093 Zurich, Switzerland. Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Hess, H (reprint author), Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. EM hhess@mse.ufl.edu RI Hess, Henry/A-5224-2008; Ernst, Karl-Heinz/O-6128-2015; Vogel, Viola/O-8025-2015; OI Hess, Henry/0000-0002-5617-606X; Ernst, Karl-Heinz/0000-0002-2077-4922; Vogel, Viola/0000-0003-2898-7671; Bachand, George/0000-0002-3169-9980 NR 25 TC 89 Z9 89 U1 1 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1613-6810 J9 SMALL JI Small PD MAR PY 2006 VL 2 IS 3 BP 330 EP 334 DI 10.1002/smll.200500265 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 011EA UT WOS:000235249600005 PM 17193044 ER PT J AU Bachand, GD Rivera, SB Carroll-Portillo, A Hess, H Bachand, M AF Bachand, GD Rivera, SB Carroll-Portillo, A Hess, H Bachand, M TI Active capture and transport of virus particles using a biomolecular motor-driven, nanoscale antibody sandwich assay SO SMALL LA English DT Article DE biomotecular motors; kinesin; nanodevices; nanofluidics; transport ID MOSAIC TOBAMOVIRUS INFECTION; RED SPRUCE SEEDLINGS; MOLECULAR SHUTTLES; MICROTUBULES; TOMATO; SURFACES; DISSOCIATION; MECHANISMS; ACTOMYOSIN; MOVEMENT C1 Sandia Natl Labs, Biomol Mat & Interfaces Dept, Albuquerque, NM 87185 USA. Univ Washington, Dept Bioengn, Seattle, WA 98195 USA. Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. RP Bachand, GD (reprint author), Sandia Natl Labs, Biomol Mat & Interfaces Dept, POB 5800,MS 1413, Albuquerque, NM 87185 USA. EM gdbacha@sandia.gov RI Hess, Henry/A-5224-2008; OI Hess, Henry/0000-0002-5617-606X; Bachand, George/0000-0002-3169-9980 NR 37 TC 72 Z9 72 U1 3 U2 15 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1613-6810 J9 SMALL JI Small PD MAR PY 2006 VL 2 IS 3 BP 381 EP 385 DI 10.1002/smll.200500262 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 011EA UT WOS:000235249600016 PM 17193055 ER PT J AU Varga, T Wilkinson, AP Jorgensen, JD Short, S AF Varga, T Wilkinson, AP Jorgensen, JD Short, S TI Neutron powder diffraction study of the orthorhombic to monoclinic transition in Sc2W3O12 on compression SO SOLID STATE SCIENCES LA English DT Article DE negative thermal expansion; high pressure; phase transition; compressibility ID NEGATIVE THERMAL-EXPANSION; PRESSURE-INDUCED AMORPHIZATION; X-RAY-DIFFRACTION; SCANDIUM MOLYBDATE; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; AL-2(WO4)(3); SC-2(WO4)(3); TUNGSTATE; RAMAN AB Time-of-flight powder neutron diffraction combined with Rietveld analysis was used to study Sc2W3O12 at pressures of up to 0.6 GPa in a large volume helium gas cell. Orthorhombic (Pnca) Sc2W3O12, bulk modulus 32(3) GPa, transforms to a softer monoclinic (P2(1)/a) structure, 11.8(8) GPa, on compression at between 0.25 and 0.30 GPa. This transition shows significant hysteresis and involves a volume reduction of similar to 1.5%. The volume reduction during compression of the orthorhombic phase is much less anisotropic than that induced by heating this negative thermal expansion phase at ambient pressure. While the volume reduction on heating orthorhombic Sc2W3O12 is associated with pronounced changes ill Sc-O-W angles, there are no major changes in these angles on compression to similar densities. The structural changes seen at the pressure induced orthorhombic to monoclinic transition in Sc2W3O12 are similar, although not identical, to those seen for the equivalent thermally induced transition in Sc2Mo3O12. (c) 2006 Elsevier SAS. All rights reserved. C1 Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Wilkinson, AP (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM angus.wilkinson@chemistry.gatech.edu RI Wilkinson, Angus/C-3408-2008 OI Wilkinson, Angus/0000-0003-2904-400X NR 40 TC 20 Z9 22 U1 3 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1293-2558 J9 SOLID STATE SCI JI Solid State Sci. PD MAR-APR PY 2006 VL 8 IS 3-4 BP 289 EP 295 DI 10.1016/j.solidstatesciences.2006.02.022 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 030QU UT WOS:000236650200011 ER PT J AU Chiarizia, R Rickert, PG Stepinski, D Thiyagarajan, P Littrell, KC AF Chiarizia, R Rickert, PG Stepinski, D Thiyagarajan, P Littrell, KC TI SANS study of third phase formation in the HCl-TBP-n-octane system SO SOLVENT EXTRACTION AND ION EXCHANGE LA English DT Article DE HCl extraction; tri-n-butyl phosphate; n-octane; third phase formation; SANS data ID NORMAL-BUTYL PHOSPHATE; WATER-HYDROGEN CHLORIDE; HYDROCHLORIC ACID; TRIBUTYL-PHOSPHATE; CARBON TETRACHLORIDE; 3RD-PHASE FORMATION; EXTRACTION SYSTEMS; SURFACE-ADHESION; DODECANE SYSTEM; LIQUID-SYSTEM AB Third phase formation in the extraction of HCI by tri-n-butyl phosphate (TBP) in n-octane has been investigated. The extraction of the acid is accompanied by the simultaneous extraction of large amounts of water and brings about organic phase splitting when the equilibrium HCl concentration in the aqueous phase is higher than 7.6 M. For a description of mechanism and energetics of these phenomena, a combination of coordination chemistry and concepts and techniques that are typical of colloid chemistry is needed. SANS data for organic phases loaded with progressive amounts of HCl and water have been interpreted using the Baxter model for hard spheres with surface adhesion. According to this model, the increase in scattering intensity in the low Q range observed when increasing amounts of solutes are extracted into the organic phase, arises from van der Waals interactions between reverse micelles containing up to seven TBP molecules. At the onset of third phase formation, the potential energy of attraction between micelles is about twice the average thermal energy. The results obtained for HCI extraction are compared with those reported previously for the extraction of metal nitrates under the same conditions. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, IPNS Div, Argonne, IL 60439 USA. RP Chiarizia, R (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chiarizia@anl.gov RI Littrell, Kenneth/D-2106-2013 OI Littrell, Kenneth/0000-0003-2308-8618 NR 54 TC 19 Z9 19 U1 1 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0736-6299 J9 SOLVENT EXTR ION EXC JI Solvent Extr. Ion Exch. PD MAR-APR PY 2006 VL 24 IS 2 BP 125 EP 148 DI 10.1080/07366290500464300 PG 24 WC Chemistry, Multidisciplinary SC Chemistry GA 030AS UT WOS:000236606100001 ER PT J AU Zalupski, PR Jensen, MP Chiarizia, R Chiarelli, MP Herlinger, AW AF Zalupski, PR Jensen, MP Chiarizia, R Chiarelli, MP Herlinger, AW TI Acid-base and organic-water distribution equilibria for symmetrically-substituted P,P '-dialkyl alkylenebisphosphonic acids SO SOLVENT EXTRACTION AND ION EXCHANGE LA English DT Article DE bisphosphonic acids; partial esters; acid dissociation constants; aqueous/organic distribution; electrostatic effect; mass spectrometry; metal ion separations ID METAL-ION EXTRACTION; P,P'-DI(2-ETHYLHEXYL) METHANEDIPHOSPHONIC ACID; DIPHOSPHONIC ACIDS; ALKYLENEDIPHOSPHONIC ACIDS; SOLVENT-EXTRACTION; ESTERS; AGGREGATION; COMPLEXES; MONO AB P,P'-dialkyl alkylenebisphosphonic acids are powerful metal extraction reagents. The acid dissociation constants for a homologous series of aqueous-insoluble P,P'-di-3-(trimethylsilyl)-propyl and aqueous-soluble P,P'-diethyl methylene-, ethylene- and propylene- bisphosphonic acids were determined in a 70:30 w/w methanol-water solvent by potentiometric titration and P-31 NMR spectrometry. The values obtained for the diethyl-substituted acids were compared with those determined in water and used to assess the effect of the medium on the aqueous acid dissociation constants of the lipophilic series of P,P'-di-3-(trimethylsilyl)propyl alkylenebisphosphonic acids. The dependence of the organic/aqueous distribution equilibrium on the aqueous acid concentration was also investigated using electrospray ionization mass spectrometry. The acid dissociation and organic/aqueous distribution properties of the substituted alkylenebisphosphonic acids are discussed in terms of their influence on metal ion extraction. C1 Loyola Univ, Dept Chem, Chicago, IL 60626 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Herlinger, AW (reprint author), Loyola Univ, Dept Chem, Chicago, IL 60626 USA. EM aherlin@luc.edu RI Jensen, Mark/G-9131-2012 OI Jensen, Mark/0000-0003-4494-6693 NR 26 TC 2 Z9 2 U1 0 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0736-6299 J9 SOLVENT EXTR ION EXC JI Solvent Extr. Ion Exch. PD MAR-APR PY 2006 VL 24 IS 2 BP 177 EP 195 DI 10.1080/07366290500498852 PG 19 WC Chemistry, Multidisciplinary SC Chemistry GA 030AS UT WOS:000236606100004 ER PT J AU Delmau, LH Bonnesen, PV Engle, NL Haverlock, TJ Sloop, FV Moyer, BA AF Delmau, LH Bonnesen, PV Engle, NL Haverlock, TJ Sloop, FV Moyer, BA TI Combined extraction of cesium and strontium from alkaline nitrate solutions SO SOLVENT EXTRACTION AND ION EXCHANGE LA English DT Article DE cesium and strontium extraction; crown ethers; caustic-side solvent extraction solvent; alkaline nitrate media ID SOLVENT-EXTRACTION; TANK WASTE; SEPARATION; MODIFIERS; MEDIA; ACID AB The combined extraction of cesium and strontium from caustic wastes can be achieved by adding a crown ether and a carboxylic acid to the Caustic-Side Solvent Extraction (CSSX) solvent. The ligand 4,4'(5')-di(tert-butyl)cyclohexano-18-crown-6 and one of four different carboxylic acids were combined with the components of the CSSX solvent optimized for the extraction of cesium, allowing for the simultaneous extraction of cesium and strontium from alkaline nitrate media simulating alkaline high level wastes present at the U.S. Department of Energy Savannah River Site. Extraction and stripping experiments were conducted independently and exhibited adequate results for mimicking waste simulant processing through batch contacts. The promising results of these batch tests showed that the system could reasonably be tested on actual waste. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Delmau, LH (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008,MS-6119, Oak Ridge, TN 37831 USA. EM delmaulh@ornl.gov RI Bonnesen, Peter/A-1889-2016; Sloop, Jr., Frederick/J-2301-2016; Moyer, Bruce/L-2744-2016; OI Bonnesen, Peter/0000-0002-1397-8281; Sloop, Jr., Frederick/0000-0001-6473-9507; Moyer, Bruce/0000-0001-7484-6277; Engle, Nancy/0000-0003-0290-7987 NR 27 TC 11 Z9 11 U1 1 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0736-6299 J9 SOLVENT EXTR ION EXC JI Solvent Extr. Ion Exch. PD MAR-APR PY 2006 VL 24 IS 2 BP 197 EP 217 DI 10.1080/07366290500511290 PG 21 WC Chemistry, Multidisciplinary SC Chemistry GA 030AS UT WOS:000236606100005 ER PT J AU Dean, RH Gai, X Stone, CM Minkoff, SE AF Dean, RH Gai, X Stone, CM Minkoff, SE TI A comparison of techniques for coupling porous flow and geomechanics SO SPE JOURNAL LA English DT Article; Proceedings Paper CT 2003 SPE Reservoir Simulation Symposium CY FEB 03-05, 2003 CL HOUSTON, TX SP Soc Petr Engineers ID OIL-RESERVOIRS; SIMULATION AB This paper compares three techniques for coupling multiphase porous flow and geomechanics. Sample simulations are presented to highlight the similarities and differences in the techniques. One technique uses an explicit algorithm to couple porous flow and displacements in which flow calculations are performed every timestep and displacements are calculated only during selected timesteps. A second technique uses an iteratively coupled algorithm in which flow calculations and displacement calculations are performed sequentially for the nonlinear iterations during each timestep. The third technique uses a fully coupled approach in which the program's linear solver must solve simultaneously for fluid-flow variables and displacement variables. The techniques for coupling porous flow with displacements are described and comparison problems are presented for single-phase and three-phase flow problems involving poroelastic deformations. All problems in this paper are described in detail, so the results presented here may be used for comparison with other geomechanical/porous-flow simulators. C1 Simwulf Syst, Plano, TX USA. Univ Texas, Austin, TX 78712 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Maryland, Dept Math & Stat, Baltimore, MD 21201 USA. RP Dean, RH (reprint author), Simwulf Syst, Plano, TX USA. NR 17 TC 49 Z9 51 U1 1 U2 4 PU SOC PETROLEUM ENG PI RICHARDSON PA 222 PALISADES CREEK DR,, RICHARDSON, TX 75080 USA SN 1086-055X J9 SPE J JI SPE J. PD MAR PY 2006 VL 11 IS 1 BP 132 EP 140 DI 10.2118/79709-PA PG 9 WC Engineering, Petroleum SC Engineering GA 031JO UT WOS:000236700900012 ER PT J AU Grob, P Cruse, MJ Inouye, C Peris, M Penczek, PA Tjian, R Nogales, E AF Grob, P Cruse, MJ Inouye, C Peris, M Penczek, PA Tjian, R Nogales, E TI Cryo-electron microscopy studies of human TFIID: Conformational breathing in the integration of gene regulatory cues SO STRUCTURE LA English DT Article ID TATA-BINDING-PROTEIN; YEAST TFIIA/TBP/DNA COMPLEX; RNA-POLYMERASE-II; TRANSCRIPTIONAL ACTIVATION; ELECTRON-MICROSCOPY; CRYSTAL-STRUCTURE; STRUCTURAL BASIS; CORE; COACTIVATORS; DYNAMICS AB The multisubunit transcription factor TFIID is essential for directing eukaryotic promoter recognition and mediating interactions with activators/cofactors during assembly of the preinitiation complex. Despite its central role in transcription initiation and regulation, structural knowledge of the TFIID complex has so far been largely limited to electron microscopy studies of negatively stained samples. Here, we present a cryo-electron microscopy 3D reconstruction of the large endogenous human TFIID complex. The improved cryopreservation has allowed for a more detailed definition of the structural elements in the complex and for the detection, by an extensive statistical analysis of the data, of a conformational opening and closing of the cavity central to the TFIID architecture. We propose that these density rearrangements in the structure are a likely reflection of the plasticity of the interactions between TFIID and its many partner proteins. C1 Univ Calif Berkeley, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. Univ Texas, Houston Med Sch, Dept Biochem & Mol Biol, Houston, TX 77030 USA. RP Grob, P (reprint author), Univ Calif Berkeley, Mol & Cell Biol Dept, Berkeley, CA 94720 USA. NR 51 TC 49 Z9 50 U1 1 U2 2 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 0969-2126 J9 STRUCTURE JI Structure PD MAR PY 2006 VL 14 IS 3 BP 511 EP 520 DI 10.1016/j.str.2005.11.020 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 025IP UT WOS:000236259400015 PM 16531235 ER PT J AU MacManus-Driscoll, JL Maiorov, B Durrell, J Foltyn, S Jia, QX Civale, L Wang, H Kursumovic, A Peterson, DE AF MacManus-Driscoll, JL Maiorov, B Durrell, J Foltyn, S Jia, QX Civale, L Wang, H Kursumovic, A Peterson, DE TI Guidelines for optimizing random and correlated pinning in rare-earth-based superconducting films SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT 7th European Conference on Applied Superconductivity CY SEP 11-15, 2005 CL Vienna Univ Technol, Vienna, AUSTRIA HO Vienna Univ Technol ID CRITICAL-CURRENT-DENSITY; COATED CONDUCTORS AB Pinning in YBa2Cu3O7-x (YBCO) films is compared with mixed rare-earth (RE) films. The field dependence of critical Current density and pinning force plots at 75.5 K are analysed. The work provides a guideline as to how to optimize pinning by inclusion of both random and con-elated defects. In summary, Y mixed with larger RE ions appears to be Optimum for effective pinning across a wide field regime as well as permitting growth at temperatures low enough for technological use. C1 Univ Cambridge, Dept Mat Sci, Cambridge CB3 2QZ, England. Los Alamos Natl Lab, Sci & Technol Ctr Superconduct, Los Alamos, NM 87545 USA. RP MacManus-Driscoll, JL (reprint author), Univ Cambridge, Dept Mat Sci, Pembroke St, Cambridge CB3 2QZ, England. RI Jia, Q. X./C-5194-2008; Wang, Haiyan/P-3550-2014; Durrell, John/A-4052-2008; OI Wang, Haiyan/0000-0002-7397-1209; Durrell, John/0000-0003-0712-3102; Maiorov, Boris/0000-0003-1885-0436; Civale, Leonardo/0000-0003-0806-3113 NR 19 TC 12 Z9 12 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD MAR PY 2006 VL 19 IS 3 SI SI BP S55 EP S59 DI 10.1088/0953-2048/19/3/008 PG 5 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 023WW UT WOS:000236157900010 ER PT J AU Ryan, P Rosenberg, RA Keavney, DJ Freeland, JW Woicik, JC AF Ryan, P Rosenberg, RA Keavney, DJ Freeland, JW Woicik, JC TI Surface order dependent magnetic thin film growth: Fe on GaN(0001) SO SURFACE SCIENCE LA English DT Article DE metal-semiconductor interfaces; magnetic thin films; wide band gap semiconductors ID CIRCULAR-DICHROISM AB X-ray photoemission spectroscopy and X-ray magnetic circular dichroism have been used to study the growth process, chemical composition and magnetic character of iron deposited on ordered and disordered GaN(0001) surfaces. On the (1 x 1) ordered surface the Fe grows uniformly but with disruption to the substrate surface, subsequently nitrogen desorbs from the surface, some of which diffuses into the Fe overlayer. The film is magnetically fractured, with high magnetic coercivity and broad switching fields. Conversely, the gallium rich disordered surface protects the underlying substrate from any disruption and initially induces non-uniform growth, the Fe clusters coalesce at similar to 12 angstrom, to produce a uniform film with desirable magnetic characteristics. Films beyond this point (> 12 angstrom) indicate sharp hysteresis loops with low coercivities. For the resultant film (36 angstrom) we measure a magnetic moment of 2.02 mu(B), in agreement with bulk bcc iron (2.068 mu(B)). (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. RP Ryan, P (reprint author), Argonne Natl Lab, Adv Photon Source, MU CAT Sector 6, Argonne, IL 60439 USA. EM pryan@mu.aps.anl.gov RI Rosenberg, Richard/K-3442-2012 NR 14 TC 2 Z9 2 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD MAR 1 PY 2006 VL 600 IS 5 BP L48 EP L53 DI 10.1016/j.susc.2005.12.024 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 027YR UT WOS:000236452700003 ER PT J AU Glezakou, VA Chen, YS Fulton, JL Schenter, GK Dang, LX AF Glezakou, VA Chen, YS Fulton, JL Schenter, GK Dang, LX TI Electronic structure, statistical mechanical simulations, and EXAFS spectroscopy of aqueous potassium SO THEORETICAL CHEMISTRY ACCOUNTS LA English DT Article DE EXAFS; Debye-Waller factor; electronic structure ID ABSORPTION FINE-STRUCTURE; GAUSSIAN-BASIS SETS; CORRELATED MOLECULAR CALCULATIONS; MANY-BODY POTENTIALS; AB-INITIO; WATER CLUSTERS; ION SOLVATION; DYNAMICS SIMULATIONS; FREE-ENERGY; GAS-PHASE AB We investigate the solvation structure of aqueous potassium ions, using a combination of electronic structure calculations, statistical mechanical simulations with a derived polarizable empirical potential and experimental measurement of the extended X-ray absorption fine structure (EXAFS) spectra. The potassium K-edge (at 3,608 eV) EXAFS spectra were acquired on the bending magnet of sector 20 at the Advanced Photon Source, at ambient conditions and for the concentrations of 1 and 4 m KCl. We focus on the coordination distances and the degree of disorder of the first hydration shell as determined by electronic structure calculations, molecular dynamics simulations and experimental measurement. Finally, we characterize the changes of the structure in the first hydration shell with increasing temperature as predicted by molecular simulation. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Glezakou, VA (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM Vanda.Glezakou@pnl.gov RI Schenter, Gregory/I-7655-2014; Chen, Yongsheng/P-4800-2014 OI Schenter, Gregory/0000-0001-5444-5484; NR 63 TC 33 Z9 33 U1 3 U2 25 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1432-881X J9 THEOR CHEM ACC JI Theor. Chem. Acc. PD MAR PY 2006 VL 115 IS 2-3 BP 86 EP 99 DI 10.1007/s00214-005-0054-4 PG 14 WC Chemistry, Physical SC Chemistry GA 020DF UT WOS:000235887500003 ER PT J AU Feng, ZC Chen, CF Williams, K Shan, W AF Feng, ZC Chen, CF Williams, K Shan, W TI The 3rd Asian Conference on Chemical Vapor Deposition (3rd Asian-CVD), Taipei, Taiwan, November 12-14, 2004 - Preface SO THIN SOLID FILMS LA English DT Editorial Material C1 Natl Taiwan Univ, Taipei, Taiwan. Natl Chiao Tung Univ, Hsinchu, Taiwan. Lawrence Berkeley Lab, Berkeley, CA USA. RP Feng, ZC (reprint author), Natl Taiwan Univ, Taipei, Taiwan. EM zcfeng@cc.ee.ntu.edu.tw NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD MAR 1 PY 2006 VL 498 IS 1-2 BP 1 EP 1 DI 10.1016/j.tsf.2005.07.052 PG 1 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 011LU UT WOS:000235270500001 ER PT J AU Timchalk, C Poet, TS Kousba, AA AF Timchalk, C Poet, TS Kousba, AA TI Age-dependent pharmacokinetic and pharmacodynamic response in preweanling rats following oral exposure to the organophosphorus insecticide chlorpyrifos SO TOXICOLOGY LA English DT Article DE chlorpyrifos; preweanling rat; age-dependent sensitivity ID INVIVO CHOLINESTERASE INHIBITION; ADULT-RATS; ACETYLCHOLINESTERASE ACTIVITY; POSTNATAL-DEVELOPMENT; BRAIN CHOLINESTERASE; METHYL PARATHION; ACUTE TOXICITY; IN-VITRO; METABOLISM; PESTICIDES AB Previous studies have indicated that juvenile rats are more Susceptible than adults to the acute toxicity from exposure to the organophosphorus insecticide chlorpyrifos (CPF) and age-dependent differences in metabolism and sensitivity to cholinesterase (ChE) inhibition may be responsible. Metabolism involves CYP450 activation and detoxification of CPF to CPF-oxon and 3,5,6-trichloro-2-pyridinol (TCP), as well as cholinesterase (acetyl- and butyrylcholinesterase), carboxylesterase (CaE), and A-esterase (PON-1) detoxification of CPF-oxon to TCR The pharmacokinetics of CPF, TCP, and the extent of blood (plasma/RBC, and brain ChE inhibition in rats were determined on postnatal days (PND)-5, -12, and -17 following oral gavage administration of 1 and 10 mg CPF/kg of body weight. As has been seen in adult animals, for all preweanling ages the blood TCP exceeded the CPF concentration, and within each age group there was no evidence of non-linear kinetics over the dose range evaluated. Consistent with previous results, younger animals demonstrated a greater sensitivity to ChE inhibition as evident by the age-dependent inhibition of plasma, RBC, and brain ChE. The brain may be particularly sensitive in Younger animals (i.e. PND-5) due to substantially lower levels of ChE activity relative to later preweanling stages and adults. Of particular importance was the observation that even in rats as Young as PND-5, the CYP450 metabolic capacity was adequate to metabolize CPF to both TCP and CPF-oxon based oil the detection of TCP in blood and extensive ChE inhibition (biomarker of CPF-oxon) at all ages. In addition, the increase in the blood TCP concentration (similar to 3-fold) in PND-17 rats relative to the response in the younger rats, are consistent with an increase in CYP450 metabolic capacity with age. This is the first reported study that evaluated both the pharmacokinetics of the parent pesticide, the major metabolite, and the extent of ChE inhibition as a function of preweanling age. The results suggest that in the preweanling rat, CPF was rapidly absorbed and metabolized, and the extent of metabolism and ChE inhibition was age-dependent. (c) 2005 Elsevier Ireland Ltd. All rights reserved. C1 Batelle Pacific NW Div, Ctr Biol Monitoring & Modeling, Richland, WA 99352 USA. TargeGen Inc, San Diego, CA 92121 USA. RP Timchalk, C (reprint author), Batelle Pacific NW Div, Ctr Biol Monitoring & Modeling, 902 Battelle Blvd, Richland, WA 99352 USA. EM charles.timchalk@pnl.gov; torka.poet@pnl.gov; akousba@targegen.com FU NIOSH CDC HHS [5 R01 OH003629-03] NR 56 TC 30 Z9 39 U1 2 U2 8 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD MAR 1 PY 2006 VL 220 IS 1 BP 13 EP 25 DI 10.1016/j.tox.2005.11.011 PG 13 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 016UC UT WOS:000235644900002 PM 16343727 ER PT J AU Brown, RS Geist, DR Mesa, MG AF Brown, RS Geist, DR Mesa, MG TI Use of electromyogram telemetry to assess swimming activity of adult spring Chinook salmon migrating past a Columbia river dam SO TRANSACTIONS OF THE AMERICAN FISHERIES SOCIETY LA English DT Article ID SOCKEYE ONCORHYNCHUS-NERKA; SNAKE RIVERS; DIFFICULT PASSAGE; ENERGY USE; FISH; STEELHEAD; SPEEDS; RATES AB Electromyogram (EMG) radiotelemetry was used to estimate the swim speeds of spring Chinook salmon Oncorhynchus tshawytscha migrating upstream past a Columbia River dam. Electrodes from EMG transmitters were surgically implanted in the red muscle of fish captured at Bonneville Dam, and output front the tags was calibrated to defined swim speeds for each fish in a tunnel respirometer. The fish were then released below Bonneville Dam and radio-tracked as they migrated through the tailraces, fishways, and forebays of the dam. On average, swim speed was significantly higher when tagged salmon were moving through tailraces than when they were moving through other parts of the dam. Specifically, swim speeds for fish in tailraces (106.4 cm/s) were 23% higher than those of fish in fishways (84.9 cm/s) and 32% higher than those of fish in forebays (80.2 cm/s). Swim speeds were higher in fishways during the day than during the night, but there were no diel differences in swim speeds in tailraces and forebays. During dam passage. Chinook salmon spent the most time in tailraces. followed by fishways and forebays. C1 Pacific NW Natl Lab, Ecol Grp, Richland, WA 99354 USA. US Geol Survey, Western Fisheries Res Ctr, Columbia River Res Lab, Cook, WA 98605 USA. RP Brown, RS (reprint author), Pacific NW Natl Lab, Ecol Grp, Mail Stop K6-85,POB 999, Richland, WA 99354 USA. EM rich.brown@pnl.gov NR 23 TC 18 Z9 18 U1 4 U2 10 PU AMER FISHERIES SOC PI BETHESDA PA 5410 GROSVENOR LANE SUITE 110, BETHESDA, MD 20814-2199 USA SN 0002-8487 J9 T AM FISH SOC JI Trans. Am. Fish. Soc. PD MAR PY 2006 VL 135 IS 2 BP 281 EP 287 DI 10.1577/T05-223.1 PG 7 WC Fisheries SC Fisheries GA 046NO UT WOS:000237818500002 ER PT J AU Silin, DB Korneev, VA Goloshubin, GM Patzek, TW AF Silin, D. B. Korneev, V. A. Goloshubin, G. M. Patzek, T. W. TI Low-frequency asymptotic analysis of seismic reflection from a fluid-saturated medium SO TRANSPORT IN POROUS MEDIA LA English DT Article DE low-frequency signal; Darcy's law; seismic reflection ID ELASTIC WAVES; POROUS-MEDIA; PROPAGATION; IMBIBITION; RANGE; MODEL AB Reflection of a seismic wave from a plane interface between two elastic media does not depend on the frequency. If one of the media is poroelastic and fluid-saturated, then the reflection becomes frequency-dependent. This paper presents a low-frequency asymptotic formula for the reflection of seismic plane p-wave from a fluid-saturated porous medium. The obtained asymptotic scaling of the frequency-dependent component of the reflection coefficient shows that it is asymptotically proportional to the square root of the product of the reservoir fluid mobility and the frequency of the signal. The dependence of this scaling on the dynamic Darcy's law relaxation time is investigated as well. Derivation of the main equations of the theory of poroelasticity from the dynamic filtration theory reveals that this relaxation time is proportional to Biot's tortuosity parameter. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Houston, Dept Geosci, Houston, TX 77204 USA. RP Silin, DB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM dsilin@lbl.gov NR 42 TC 7 Z9 10 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 EI 1573-1634 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD MAR PY 2006 VL 62 IS 3 BP 283 EP 305 DI 10.1007/s11242-005-0881-8 PG 23 WC Engineering, Chemical SC Engineering GA 043IK UT WOS:000237594500002 ER PT J AU Al-Karadaghi, S Franco, R Hansson, M Shelnutt, JA Isaya, G Ferreira, GC AF Al-Karadaghi, S Franco, R Hansson, M Shelnutt, JA Isaya, G Ferreira, GC TI Chelatases: distort to select? SO TRENDS IN BIOCHEMICAL SCIENCES LA English DT Editorial Material ID SACCHAROMYCES-CEREVISIAE FERROCHELATASE; HEME-BIOSYNTHESIS; PORPHYRIN METALATION; CRYSTAL-STRUCTURE; TERMINAL ENZYME; BINDING-SITE; SIROHEME BIOSYNTHESIS; DIRECTED MUTAGENESIS; MOUSE FERROCHELATASE; FRATAXIN DEFICIENCY AB Chelatases catalyze the insertion of a specific metal ion into porphyrins, a key step in the synthesis of metalated tetrapyrroles that are essential for many cellular processes. Despite apparent common structural features among chelatases, no general reaction mechanism accounting for metal ion specificity has been established. We propose that chelatase-induced distortion of the porphyrin substrate not only enhances the reaction rate by decreasing the activation energy of the reaction but also modulates which divalent metal ion is incorporated into the porphyrin ring. We evaluate the recently recognized interaction between ferrochelatase and frataxin as a way to regulate iron delivery to ferrochelatase, and thus iron and heme metabolism. We postulate that the ferrochelatase-frataxin interaction controls the type of metal ion that is delivered to ferrochelatase. C1 Univ S Florida, Coll Med, Dept Biochem & Mol Biol, Tampa, FL 33612 USA. Lund Univ, Dept Mol Biophys, SE-22100 Lund, Sweden. Lund Univ, Dept Biochem, SE-22100 Lund, Sweden. Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Ctr Quim Fina & Biotecnol,REQUIMTE, P-2829516 Caparica, Portugal. Sandia Natl Labs, Surface & Interface Sci Dept, Albuquerque, NM 87185 USA. Univ Georgia, Dept Chem, Athens, GA 30602 USA. Mayo Clin & Mayo Fdn, Coll Med, Dept Pediat & Adolescent Med, Rochester, MN 55905 USA. Mayo Clin & Mayo Fdn, Coll Med, Dept Biochem & Mol Biol, Rochester, MN 55905 USA. Univ S Florida, H Lee Moffitt Canc Ctr, Tampa, FL 33612 USA. Univ S Florida, Res Inst, Tampa, FL 33612 USA. RP Ferreira, GC (reprint author), Univ S Florida, Coll Med, Dept Biochem & Mol Biol, Tampa, FL 33612 USA. EM gferreir@hsc.usf.edu RI Shelnutt, John/A-9987-2009; Franco, Ricardo/C-5247-2008; Al-karadaghi, Salam/F-1492-2011; Ferreira, Gloria/A-4709-2012; REQUIMTE, AL/H-9106-2013; REQUIMTE, FMN/M-5611-2013; REQUIMTE, UCIBIO/N-9846-2013 OI Shelnutt, John/0000-0001-7368-582X; Franco, Ricardo/0000-0002-5139-2871; Al-karadaghi, Salam/0000-0001-8608-0635; FU NIA NIH HHS [AG 15709, R01 AG015709]; None [NIH1875883]; PHS HHS [1875883] NR 53 TC 59 Z9 60 U1 1 U2 17 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0968-0004 J9 TRENDS BIOCHEM SCI JI Trends Biochem.Sci. PD MAR PY 2006 VL 31 IS 3 BP 135 EP 142 DI 10.1016/j.tibs.2006.01.001 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 028FZ UT WOS:000236473700001 PM 16469498 ER PT J AU Moore, KT van der Laan, G Tobin, JG Chung, BW Wall, MA Schwartz, AJ AF Moore, KT van der Laan, G Tobin, JG Chung, BW Wall, MA Schwartz, AJ TI Probing the population of the spin-orbit split levels in the actinide 5f states SO ULTRAMICROSCOPY LA English DT Article DE electron energy loss spectroscopy; X-ray absorption spectroscopy; spin-orbit; actinides ID RAY-ABSORPTION-SPECTROSCOPY; BRANCHING RATIO; DELTA-PLUTONIUM; GROUND-STATE; URANIUM; METALS; PU; ELECTRONS; SPECTRA; CERIUM AB Spin-orbit interaction in the 5f states is believed to strongly influence exotic behaviors observed in actinide metals and compounds. Understanding these interactions and how they relate to the actinide series is of considerable importance. To address this issue, the branching ratio of the white-line peaks of the N-4.5 edge for the light actinide metals, alpha-Th, alpha-U, and alpha-Pu were recorded using electron energy-loss spectroscopy (EELS) in a transmission electron microscope (TEM) and synchrotron-radiation-based X-ray absorption spectroscopy (XAS). Using the spin-orbit sum rule and the branching ratios from both experimental spectra and many-electron atomic spectral calculations, accurate values of the spin-orbit interaction, and thus the relative occupation of the j = 5/2 and 7/2 levels, are determined for the actinide 5f states. Results show that the spin-orbit sum rule works very well with both EELS and XAS spectra, needing little or no correction. This is important, since the high spatial resolution of a TEM can be used to overcome the problems of single-crystal growth often encountered with actinide metals, allowing acquisition of EELS spectra, and subsequent spin-orbit analysis, from nm-sized regions. The relative occupation numbers obtained by our method have been compared with recent theoretical results and they show a good agreement in their trend. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Daresbury Lab, Magnet Spectroscopy Grp, Warrington WA4 4AD, Cheshire, England. RP Moore, KT (reprint author), Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94550 USA. EM moore78@llnl.gov RI Chung, Brandon/G-2929-2012; Tobin, James/O-6953-2015; van der Laan, Gerrit/Q-1662-2015 OI van der Laan, Gerrit/0000-0001-6852-2495 NR 34 TC 6 Z9 6 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD MAR PY 2006 VL 106 IS 4-5 BP 261 EP 268 DI 10.1016/j.ultramic.2005.08.002 PG 8 WC Microscopy SC Microscopy GA 022GC UT WOS:000236042300002 PM 16309839 ER PT J AU Kalinin, SV Rodriguez, BJ Shin, J Jesse, S Grichko, V Thundat, T Baddorf, AP Gruverman, A AF Kalinin, SV Rodriguez, BJ Shin, J Jesse, S Grichko, V Thundat, T Baddorf, AP Gruverman, A TI Bioelectromechanical imaging by scanning probe microscopy: Galvani's experiment at the nanoscale SO ULTRAMICROSCOPY LA English DT Article DE scanning probe microscopy; piezoresponse force microscopy; piezoelectricity; nanoscale; proteins ID BIOLOGICAL-MATERIALS; BONE; PIEZOELECTRICITY; RESOLUTION AB Since the discovery in the late 18th century of electrically induced mechanical response in muscle tissue, coupling between electrical and mechanical phenomena has been shown to be a near-universal feature of biological systems. Here, we employ scanning probe microscopy (SPM) to measure the sub-Angstrom mechanical response of a biological system induced by an electric bias applied to a conductive SPM tip. Visualization of the spiral shape and orientation of protein fibrils with 5 nm spatial resolution in a human tooth and chitin molecular bundle orientation in a butterfly wing is demonstrated. In particular, the applicability of SPM-based techniques for the determination of molecular orientation is discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. N Carolina State Univ, Dept Biochem, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov; alexei_gruverman@ncsu.edu RI Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Gruverman, alexei/P-3537-2014; Jesse, Stephen/D-3975-2016; Baddorf, Arthur/I-1308-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Gruverman, alexei/0000-0003-0492-2750; Jesse, Stephen/0000-0002-1168-8483; Baddorf, Arthur/0000-0001-7023-2382 NR 30 TC 41 Z9 42 U1 1 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD MAR PY 2006 VL 106 IS 4-5 BP 334 EP 340 DI 10.1016/j.ultramic.2005.10.005 PG 7 WC Microscopy SC Microscopy GA 022GC UT WOS:000236042300012 PM 16387441 ER PT J AU Miller, TC Hastings, EP Havrilla, GJ AF Miller, TC Hastings, EP Havrilla, GJ TI Automated printing technology as a new tool for liquid sample preparation for micro x-ray fluorescence (MXRF) SO X-RAY SPECTROMETRY LA English DT Article AB The focus of this study was to explore automated printing technology (APT) as an alternative means to manual methods for nanoliter dried spot sample preparation of liquid samples for micro x-ray fluorescence analysis (MXRF). APT was used successfully to dispense 20 and 50 nl volumes of multielemental standard solutions onto AP1 and Kapton film substrates. Automated droplet deposition was rapid and minimized operator skill and human error in the sample preparation process. Dried spots prepared by APT were generally circular in shape and similar in appearance to those prepared by manual dried spot deposition techniques. Furthermore, multiple dried spots could be accurately and reproducibly deposited in the same precise location on the film substrate surface, allowing for increased sample loadings within the MXRF analysis area for higher elemental sensitivity. The characteristics of the substrate did affect the quality of dried spot formation, with irregularly shaped spots forming on the thicker, more hydrophobic Kapton film, especially with higher droplet mass loadings. Adverse effects of irregular spot formation on quantitative analysis could be easily minimized by increasing the MXRF analysis area to encompass the entire dried spot residue. Nanoliter dried spot sample preparation is useful not only for MXRF analysis of liquid samples, but can also be applied to other analytical techniques such as IR, Raman or UV/fluorescence spectroscopy, the applications of which can benefit from rapid sample throughput and matrix reduction. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Xray Opt Syst Inc, E Greenbush, NY 12180 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Miller, TC (reprint author), Xray Opt Syst Inc, E Greenbush, NY 12180 USA. EM tmiller@xos.com OI Havrilla, George/0000-0003-2052-7152 NR 15 TC 12 Z9 12 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0049-8246 J9 X-RAY SPECTROM JI X-Ray Spectrom. PD MAR-APR PY 2006 VL 35 IS 2 BP 131 EP 136 DI 10.1002/xrs.882 PG 6 WC Spectroscopy SC Spectroscopy GA 027HJ UT WOS:000236405500009 ER PT J AU Chen, HM Jean, YC Jonah, CD Chemerisov, S Wagner, AF Schrader, DM Hunt, AW AF Chen, HM Jean, YC Jonah, CD Chemerisov, S Wagner, AF Schrader, DM Hunt, AW TI Intense slow positron production at the 15 MeV LINAC at Argonne National Laboratory SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT 10th International Workshop on Slow Positron Beam Techniques for Solids and Surfaces CY MAR 19-25, 2005 CL Univ Qatar, Doha, QATAR HO Univ Qatar DE EGS4; computer simulation; intense slow positron beam; LINAC ID MODERATOR; SURFACES; ENERGY; BEAMS AB An intense slow positron beam using a 15 MeV LINAC (average current 1.25 x 10(15) e(-)/s) at the Radiation and Photochemistry Group, Chemistry Division of Argonne National Laboratory (ANL) has been proposed and studied. Computer simulated results optimizing the positron yield and distribution of energy and angle show that a slow positron production at 1010 e(+)/s is possible. A proposed design of an intense slow positron beam with optimal conditions of incident electron, converter/moderator configurations, and extraction/transportation is presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Missouri, Dept Chem, Kansas City, MO 64110 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Marquette Univ, Dept Chem, Milwaukee, WI 53233 USA. Idaho State Univ, Idaho Accelerator Ctr, Pocatello, ID 83209 USA. RP Jean, YC (reprint author), Univ Missouri, Dept Chem, 5009 Rockhill Rd, Kansas City, MO 64110 USA. EM jeany@umkc.edu NR 14 TC 5 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD FEB 28 PY 2006 VL 252 IS 9 BP 3159 EP 3165 DI 10.1016/j.apsusc.2005.08.100 PG 7 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 021YH UT WOS:000236021300013 ER PT J AU Brauer, G Anwand, W Eichhorn, F Skorupa, W Hofer, C Teichert, C Kuriplach, J Cizek, J Prochazka, I Coleman, PG Nozawa, T Kohyama, A AF Brauer, G Anwand, W Eichhorn, F Skorupa, W Hofer, C Teichert, C Kuriplach, J Cizek, J Prochazka, I Coleman, PG Nozawa, T Kohyama, A TI Characterization of a SiC/SiC composite by X-ray diffraction, atomic force microscopy and positron spectroscopies SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT 10th International Workshop on Slow Positron Beam Techniques for Solids and Surfaces CY MAR 19-25, 2005 CL Univ Qatar, Doha, QATAR HO Univ Qatar DE SiC/SiC composite; graphite; X-ray diffraction; atomic force microscopy; slow positron spectroscopy; positron lifetime; positron affinity; positron re-emission ID SILICON-CARBIDE; STATES; IMPLANTATION; AFFINITIES; DEFECTS AB A SiC/SiC composite is characterized by X-ray diffraction, atomic force microscopy and various positron spectroscopies (slow positron implantation, positron lifetime and re-emission). It is found that besides its main constituent 3C-SiC the composite still must contain some graphite. In order to better interpret the experimental findings of the composite, a pyrolytic graphite sample was also investigated by slow positron implantation and positron lifetime spectroscopies. In addition, theoretical calculations of positron properties of graphite are presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Forschungszentrum Rossendorf EV, Inst Ionenstrahlphys & Mat Forsch, D-01314 Dresden, Germany. Mt Univ Leoben, Inst Phys, A-8700 Leoben, Austria. Charles Univ, Fac Math & Phys, Dept Low Temp Phys, CZ-18000 Prague, Czech Republic. Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan. RP Brauer, G (reprint author), Forschungszentrum Rossendorf EV, Inst Ionenstrahlphys & Mat Forsch, PF 510119, D-01314 Dresden, Germany. EM g.brauer@fz-rossendorf.de RI Hofer, Christian/B-8702-2008; Cizek, Jakub/F-6163-2010; Teichert, Christian/F-1003-2013 OI Cizek, Jakub/0000-0001-9961-8545; Teichert, Christian/0000-0002-0796-2355 NR 34 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD FEB 28 PY 2006 VL 252 IS 9 BP 3342 EP 3351 DI 10.1016/j.apsusc.2005.08.096 PG 10 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 021YH UT WOS:000236021300042 ER PT J AU Lollar, BS Lacrampe-Couloume, G Slater, GF Ward, J Moser, DP Gihring, TM Lin, LH Onstott, TC AF Lollar, BS Lacrampe-Couloume, G Slater, GF Ward, J Moser, DP Gihring, TM Lin, LH Onstott, TC TI Unravelling abiogenic and biogenic sources of methane in the Earth's deep subsurface SO CHEMICAL GEOLOGY LA English DT Article DE abiogenic; methane; hydrogen; autotrophy; deep biosphere; Mars ID MID-ATLANTIC RIDGE; HYDROTHERMAL VENT; BASALT AQUIFERS; ISOTOPIC FRACTIONATION; MICROBIAL ECOSYSTEMS; SACRAMENTO BASIN; NATURAL GASES; SOUTH-AFRICA; GOLD-MINES; HYDROGEN AB At four underground sites in Precambrian Shield rocks in Canada and South Africa, hydrocarbon and hydrogen gases exsolving from saline fracture waters are analyzed for compositional and isotopic signatures. Dominated by reduced gases such as CH4, H-2 and higher hydrocarbons (ethane, propane, butane), the most C-13-enriched methane end-members at all four sites show a pattern of carbon and hydrogen isotopic values similar to abiogenic gases produced by water-rock interaction that have been identified previously at one site on the Precambrian Shield in Canada. The abiogenic nature of these gases was not previously recognized due to mixing with a second methane component produced by microbial processes. The microbial methane end-member is identified based on carbon and hydrogen isotopic signatures, and DNA gene amplification (PCR) data that indicate the presence of methanogens. A framework is presented to estimate the relative contribution of abiogenic versus microbial hydrocarbon gases at these sites. This approach has important implications for evaluation of potential abiogenic hydrocarbon reservoirs in a wide range of geologic settings, including the longstanding controversy concerning the possible contribution of abiogenic gases to economic petroleum hydrocarbon reservoirs. The association of high concentrations of H-2 with C-13-enriched CH4 end-members, and H-2 depletion in the C-13-depleted methanogenic end-members further suggests the possibility that abiogenic gases may support H-2 autotrophy linked to methanogenesis in the deep subsurface. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Toronto, Dept Geol, Toronto, ON M5S 3B1, Canada. Pacific NW Natl Lab, Environm Microbiol Grp, Richland, WA 99352 USA. Princeton Univ, Dept Geosci, Princeton, NJ 08544 USA. RP Lollar, BS (reprint author), Univ Toronto, Dept Geol, 22 Russell St, Toronto, ON M5S 3B1, Canada. EM bstollar@chem.utoronto.ca; glc@geology.utoronto.ca; gslater@mcmaster.ca; ward@geology.utoronto.ca; duane.moser@dri.edu; gihring@ocean.fsu.edu; lhlin@ntu.edu.tw; tullis@princeton.edu RI Lin, Li-Hung/K-8091-2012; Slater, Greg/B-5163-2013; OI Slater, Greg/0000-0001-7418-7566; Lin, Li-Hung/0000-0002-0985-1464 NR 62 TC 88 Z9 90 U1 3 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD FEB 28 PY 2006 VL 226 IS 3-4 BP 328 EP 339 DI 10.1016/j.chemgeo.2005.09.027 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 019SN UT WOS:000235857100016 ER PT J AU Sani, RL Shen, J Pironneau, O Gresho, PM AF Sani, RL Shen, J Pironneau, O Gresho, PM TI Pressure boundary condition for the time-dependent incompressible Navier-Stokes equations SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article DE pressure boundary conditions; pressure Poisson equation; incompressible flow ID FLOWS; SIMULATION AB In Gresho and Sani (Int. J. Numer. Methods Fluids 1987; 7:1111-1145; Incompressible Flow and the Finite Element Method, vol. 2. Wiley: New York, 2000) was proposed an important hypothesis regarding the pressure Poisson equation (PPE) for incompressible flow: Stated there but not proven was a so-called equivalence theorem (assertion) that stated/asserted that if the Navier-Stokes momentum equation is solved simultaneously with the PPE whose boundary condition (BC) is the Neumann condition obtained by applying the normal component of the momentum equation on the boundary on which the normal component of velocity is specified as a Dirichlet BC, the solution (u, p) Would be exactly the same as if the 'primitive' equations, in which the PPE Plus Neumann BC is replaced by the usual divergence-free constraint (del (.) u=0), were solved instead. This issue is explored ill sufficient detail in this paper so as to actually prove the theorem for at least some situations. Additionally, like the original/primitive equations that require no BC for the pressure, the new results establish the same Ming when the PPE approach is employed. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Univ Colorado, Dept Chem & Biol Engn, Boulder, CO 80309 USA. Purdue Univ, Dept Math, W Lafayette, IN 47907 USA. Univ Paris 06, Lab Jacques Louis Lions, F-75252 Paris, France. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Sani, RL (reprint author), Univ Colorado, Dept Chem & Biol Engn, 424 UCB, Boulder, CO 80309 USA. EM robert.sani@colorado.edu RI Shen, Jie/B-4956-2014; Shen, Jie/P-4151-2016 OI Shen, Jie/0000-0002-4885-5732; Shen, Jie/0000-0002-4885-5732 NR 13 TC 37 Z9 38 U1 2 U2 24 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD FEB 28 PY 2006 VL 50 IS 6 BP 673 EP 682 DI 10.1002/fld.1062 PG 10 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 014SE UT WOS:000235499400002 ER PT J AU Bood, J McIlroy, A Osborn, DL AF Bood, J McIlroy, A Osborn, DL TI Measurement of the sixth overtone band of nitric oxide, and its dipole moment function, using cavity-enhanced frequency modulation spectroscopy SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID VIBRATION-ROTATIONAL BAND; ABSORPTION-SPECTROSCOPY; ULTRAWEAK TRANSITIONS; MOLECULAR-OXYGEN; FUNDAMENTAL-BAND; LASER; NO; EMISSION; STABILIZATION; INTENSITIES AB We applied cavity-enhanced frequency modulation absorption spectroscopy (also known as noise-immune cavity-enhanced optical heterodyne molecular spectroscopy) to perform high-resolution spectroscopy of the sixth overtone band of nitric oxide near 797 nm. By using novel high-bandwidth balanced detectors, baseline variations caused by residual amplitude modulation were significantly reduced. The ultrahigh sensitivity (2x10(-10) cm(-1) minimum detectable absorption at 1 Hz detection bandwidth) of our spectrometer allowed accurate measurements of 15 individual line intensities of P- and R-branch transitions in the (2)Pi(1/2)-(2)Pi(1/2) subband. A vibrational transition moment of 3.09(6) mu D +/- 13% and Herman-Wallis coefficients of a=-0.0078(26) and b=0.001 25(45) were found by fitting the line intensities. Based on our measured transition moment, and those of other transitions from the literature, a new parametrization for the electric dipole moment function (EDMF) of nitric oxide, valid for 0.91 <= r <= 1.74 A, has been extracted. The residuals of this fit demonstrate that the derived EDMF is the most accurate representation to date of the dipole moment function. The new EDMF will be valuable for accurate intensity prediction of transitions that cannot be easily measured experimentally. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Osborn, DL (reprint author), Sandia Natl Labs, MS 9055,POB 969, Livermore, CA 94551 USA. EM dlosbor@sandia.gov RI Osborn, David/A-2627-2009 NR 39 TC 25 Z9 25 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 28 PY 2006 VL 124 IS 8 AR 084311 DI 10.1063/1.2170090 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 016ZH UT WOS:000235663300026 PM 16512720 ER PT J AU Gibbs, GV Cox, DF Crawford, TD Rosso, KM Ross, NL Downs, RT AF Gibbs, GV Cox, DF Crawford, TD Rosso, KM Ross, NL Downs, RT TI Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CRITICAL-POINT PROPERTIES; ELECTRON-DENSITY; EARTH MATERIALS; CHEMICAL-BOND; DISTRIBUTIONS; MOLECULES AB A classification of the hydrogen fluoride H-F-bonded interactions comprising a large number of molecules has been proposed by Espinosa [J. Chem. Phys. 117, 5529 (2002)] based on the ratio parallel to V(r(c))parallel to/G(r(c)) where parallel to V(r(c))parallel to is the magnitude of the local potential-energy density and G(r(c)) is the local kinetic-energy density, each evaluated at a bond critical point r(c). A calculation of the ratio for the M-O bonded interactions comprising a relatively large number of oxide molecules and earth materials, together with the constraints imposed by the values of del(2)rho(r(c)) and the local electronic energy density, H(r(c))=G(r(c))+V(r(c)), in the H-F study, yielded practically the same classification for the oxides. This is true despite the different trends that hold between the bond critical point and local energy density properties with the bond lengths displayed by the H-F and M-O bonded interactions. On the basis of the ratio, Li-O, Na-O, and Mg-O bonded interactions classify as closed-shell ionic bonds, Be-O, Al-O, Si-O, B-O, and P-O interactions classify as bonds of intermediate character with the covalent character increasing from Be-O to P-O. N-O interactions classify as shared covalent bonds. C-O and S-O bonded interactions classify as both intermediate and covalent bonded interactions. The C-O double- and triple-bonded interactions classify as intermediate-bonded interactions, each with a substantial component of covalent character and the C-O single-bonded interaction classifies as a covalent bond whereas their local electronic energy density values indicate that they are each covalent bonded interactions. The ratios for the Be-O, Al-O, and Si-O bonded interactions indicate that they have a substantial component of ionic character despite their classification as bonds of intermediate character. The trend between the ratio and the character of the bonded interactions is consistent with trends expected from electronegativity considerations. The ratio increases as the net charges and the coordination numbers for the atoms for several Ni-sulfides decrease. On the contrary, the ratio for the Si-O bonded interactions for the orthosilicate, forsterite, Mg2SiO4, and the high-pressure silica polymorph, stishovite, decreases as the observed net atomic charges and the coordination numbers of Si and O increase in value. The ratio for the Ni-Ni bonded interactions for the Ni-sulfides and bulk Ni metal indicate that the interactions are intermediate in character with a substantial component of ionic character. C1 Virginia Polytech Inst & State Univ, Dept Geosci Mat Sci Engn & Math, Blacksburg, VA 24061 USA. Virginia Polytech Inst & State Univ, Dept Chem Engn, Blacksburg, VA 24061 USA. Virginia Polytech Inst & State Univ, Dept Chem, Blacksburg, VA 24061 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA. Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. RP Virginia Polytech Inst & State Univ, Dept Geosci Mat Sci Engn & Math, Blacksburg, VA 24061 USA. EM gvgibbs@vt.edu RI Crawford, Thomas/A-9271-2017 OI Crawford, Thomas/0000-0002-7961-7016 NR 27 TC 10 Z9 10 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 28 PY 2006 VL 124 IS 8 AR 084704 DI 10.1063/1.2161425 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 016ZH UT WOS:000235663300039 PM 16512733 ER PT J AU Yang, S Yamamoto, T Miller, WH AF Yang, S Yamamoto, T Miller, WH TI Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TRANSITION-STATE THEORY; MONTE-CARLO SIMULATIONS; THERMAL RATE CONSTANTS; MECHANICAL RATE CONSTANTS; CHEMICAL-REACTION RATES; DYNAMICS; COMPLEX; SYSTEMS AB The quantum instanton approximation is a type of quantum transition-state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low-order derivatives at time zero. Here we present several path-integral estimators for the latter quantities, which characterize the initial decay profile of the flux correlation function. As with the internal energy or heat-capacity calculation, different estimators yield different variances (and therefore different convergence properties) in a Monte Carlo calculation. Here we obtain a virial (-type) estimator by using a coordinate scaling procedure rather than integration by parts, which allows more computational benefits. We also consider two different methods for treating the flux operator, i.e., local-path and global-path approaches, in which the latter achieves a smaller variance at the cost of using second-order potential derivatives. Numerical tests are performed for a one-dimensional Eckart barrier and a model proton transfer reaction in a polar solvent, which illustrates the reduced variance of the virial estimator over the corresponding thermodynamic estimator. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Yang, S (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM miller@cchem.berkeley.edu NR 40 TC 6 Z9 6 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 28 PY 2006 VL 124 IS 8 AR 084102 DI 10.1063/1.2171693 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 016ZH UT WOS:000235663300009 PM 16512703 ER PT J AU Kim, JS Johnson, CS Vaughey, JT Thackeray, MM AF Kim, JS Johnson, CS Vaughey, JT Thackeray, MM TI Pre-conditioned layered electrodes for lithium batteries SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Meeting of the International-Battery-Association (IBA) CY APR 18-22, 2004 CL Graz, AUSTRIA SP Int Battery Assoc DE lithium battery; layered electrode; composite electrode; pre-condition ID MANGANESE OXIDES; INSERTION MATERIAL; ION BATTERIES; STRUCTURAL-CHARACTERIZATION; LICO1/3NI1/3MN1/3O2 AB Layered Li(Co0.33Mn0.33Ni0.33)O-2 and composite 0.3Li(2)MnO(3)center dot 0.7LiMn(0.5)Ni(0.5)O(2) electrode powders have been treated with NH3 and HNO3 prior to cell assembly. These pre-conditioning reactions improve the electrochemical properties of the electrodes when charged to high electrochemical potentials (>= 4.45 V versus Li-0) in lithium cells. NH3-treatment of Li(Co0.33Mn0.33Ni0.33)O-2 increases electrode capacity and improves the coulombic efficiency of the electrochemical reaction after the first charge/discharge cycle, whereas acid-treatment of 0.3Li(2)MnO(3)center dot 0.7LiMn(0.5)Ni(0.5)O(2) electrodes significantly improves the coulombic efficiency of the initial charge/discharge reaction. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Thackeray, MM (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. EM thackeray@cmt.anl.gov OI Vaughey, John/0000-0002-2556-6129 NR 21 TC 41 Z9 45 U1 5 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD FEB 28 PY 2006 VL 153 IS 2 BP 258 EP 264 DI 10.1016/j.jpowsour.2005.05.081 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 028HY UT WOS:000236479000010 ER PT J AU Sarakonsri, I Johnson, CS Hackney, SA Thackeray, MM AF Sarakonsri, I Johnson, CS Hackney, SA Thackeray, MM TI Solution route synthesis of InSb, Cu(6)Sn(5) and Cu(2)Sb electrodes for lithium batteries SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Meeting of the International-Battery-Association (IBA) CY APR 18-22, 2004 CL Graz, AUSTRIA SP Int Battery Assoc DE lithium; battery; intermetallic; InSb; Cu(6)Sn(5); Cu(2)Sb ID SITU X-RAY; LI-ION BATTERIES; ANODE MATERIALS; ELECTROCHEMICAL PERFORMANCE; STRUCTURAL TRANSFORMATIONS; DIFFRACTION; SPECTROSCOPY; ETA'-CU6SN5; SN/SNSB AB A solution method was used to prepare InSb, Cu(6)Sn(5) and Cu(2)Sb intermetallic compounds that are of interest as negative electrode materials for lithium batteries. The compounds were synthesized by the reduction of dissolved transition metal- and metalloid salts with fine Zn powder. Heterogeneous redox reactions at the surface of the Zn particles resulted in fern-like dendritic structures with high surface areas. Powder X-ray diffraction and lattice imaging by transmission electron microscopy showed that the intermetallic products were highly crystalline with preferred crystallographic orientations. Mild heat-treatment of the products under argon improved their phase purity. Electrodes prepared by this method exhibited a large irreversible capacity loss on the first charge/discharge cycle. Cu(2)Sb electrodes showed the greatest cycling stability; after the initial cycle, they delivered more than 230 mAh g(-1) when cycled between 1.2 and 0.0 V versus metallic lithium, consistent with previously reported data for ball-milled Cu(2)Sb electrodes. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Chem Engn, Electrochem Technol & Basic Sci Program, Argonne, IL 60439 USA. Michigan Technol Univ, Dept Met & Mat Engn, Houghton, MI 49931 USA. RP Johnson, CS (reprint author), Argonne Natl Lab, Div Chem Engn, Electrochem Technol & Basic Sci Program, 9700 S Cass Ave, Argonne, IL 60439 USA. EM johnsoncs@cmt.anl.gov NR 29 TC 6 Z9 6 U1 4 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD FEB 28 PY 2006 VL 153 IS 2 BP 319 EP 327 DI 10.1016/j.jpowsour.2005.05.061 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 028HY UT WOS:000236479000017 ER PT J AU Edstrom, K Herstedt, M Abraham, DP AF Edstrom, K Herstedt, M Abraham, DP TI A new look at the solid electrolyte interphase on graphite anodes in Li-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Meeting of the International-Battery-Association (IBA) CY APR 18-22, 2004 CL Graz, AUSTRIA SP Int Battery Assoc DE solid electrolyte interphase (SEI); Li-ion battery; XPS ID ENHANCED THERMAL-STABILITY; CHEMICAL-COMPOSITION; SPECTROSCOPY; INTERFACE; LITHIUM AB The solid electrolyte interphase (SEI) of graphite electrodes has been extensively studied using surface sensitive techniques such as photoelectron spectroscopy (PES) and soft X-ray spectroscopy. By combining measurements of reference compounds with graphite electrodes cycled in different electrolytes and under different conditions, knowledge of the solid electrolyte interphase (SEI) chemistry can be obtained. In this article, conclusive results concerning the chemical composition of the inorganic part of the SEI is described. The results show that Li2O often reported to be present in the SEI could be an artifact from abusive Ar+ sputtering. The presence of Li2CO3 is a matter of debate; the compound is not observed in anodes extracted from hermetically sealed cells that are never exposed to air. The results show that cell-design and sample handling are crucial to the observed chemical composition of the SEI. (c) 2005 Elsevier B.V. All rights reserved. C1 Uppsala Univ, Angstrom Lab, Angstrom Adv Battery Ctr, Dept Chem Mat, SE-75121 Uppsala, Sweden. Argonne Natl Lab, Div Chem Technol, Argonne, IL 60439 USA. RP Edstrom, K (reprint author), Uppsala Univ, Angstrom Lab, Angstrom Adv Battery Ctr, Dept Chem Mat, Box 538, SE-75121 Uppsala, Sweden. EM kristina.edstrom@mkem.uu.se OI Edstroem, Kristina/0000-0003-4440-2952 NR 15 TC 148 Z9 150 U1 12 U2 135 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD FEB 28 PY 2006 VL 153 IS 2 BP 380 EP 384 DI 10.1016/j.jpowsour.2005.05.062 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 028HY UT WOS:000236479000027 ER PT J AU Feibelman, PJ AF Feibelman, PJ TI Lubrication theory of drag on a scanning probe in structured water, near a hydrophilic surface SO LANGMUIR LA English DT Article ID THIN; HYDRATION; DRAINAGE; SPHERE; MOTION; FLUID; FILMS AB The drag is evaluated, in lubrication theory, on a parabolic-cylindrical tip moving parallel to a flat sample, in water, close enough that the presumed nanometer-thick, Structured-water, "interphase" coatings of both it and the sample C overlap. Assuming coatings of width, w, and of viscosity, eta, much larger than bulk water's, the friction force is predicted to equal -2 pi eta cR Phi(D/2w), where R is the tip's radius of curvature, c is its Speed, D is the tip-sample separation, and (Phi) is a universal function whose value only differs noticeably from 1n(2w/D) for D < w. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Feibelman, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 9 Z9 9 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD FEB 28 PY 2006 VL 22 IS 5 BP 2136 EP 2140 DI 10.1021/la052887o PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 018DR UT WOS:000235744500031 PM 16489799 ER PT J AU Borisevich, AY Lupini, AR Pennycook, SJ AF Borisevich, AY Lupini, AR Pennycook, SJ TI Depth sectioning with the aberration-corrected scanning transmission electron microscope SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE aberration correction; electron microscopy; single-atom imaging ID SINGLE ATOMS; Z-CONTRAST; RESOLUTION; CATALYSTS; CLUSTERS; BEAMS AB The ability to correct the aberrations of the probe-forming lens in the scanning transmission electron microscope provides not only a significant improvement in transverse resolution but in addition brings depth resolution at the nanometer scale. Aberration correction therefore opens up the possibility of 3D imaging by optical sectioning. Here we develop a definition for the depth resolution for scanning transmission electron microscope depth sectioning and present initial results from this method. Objects such as catalytic metal clusters and single atoms on various support materials are imaged in three dimensions with a resolution of sever nanometers. Effective focal depth is determined by statistical analysis and the contributing factors are discussed. Finally, current challenges and future capabilities available through new instruments are discussed. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Borisevich, AY (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA. EM albinab@ornl.gov RI Borisevich, Albina/B-1624-2009 OI Borisevich, Albina/0000-0002-3953-8460 NR 26 TC 108 Z9 109 U1 2 U2 34 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD FEB 28 PY 2006 VL 103 IS 9 BP 3044 EP 3048 DI 10.1073/pnas.0507105103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 018QU UT WOS:000235780700010 PM 16492746 ER PT J AU Lian, J Zhou, W Wei, QM Wang, LM Boatner, LA Ewing, RC AF Lian, J Zhou, W Wei, QM Wang, LM Boatner, LA Ewing, RC TI Simultaneous formation of surface ripples and metallic nanodots induced by phase decomposition and focused ion beam patterning SO APPLIED PHYSICS LETTERS LA English DT Article ID ROUGHENING INSTABILITY; PYROCHLORE; IRRADIATION; CONDUCTION; EVOLUTION AB We report the simultaneous formation of self-assembled surface ripples in Cd2Nb2O7 pyrochlore caused by focused ion beam (FIB) patterning and uniformly distributed metallic nanodots induced by phase decomposition under ion bombardment. The characteristic wavelength of the surface ripples is controllable from the nm to the sub-mu m scale. High-density Cd metallic nanoparticles, similar to 5 nm, formed and the distribution of nanoparticles is consistent with the morphological characteristics of the ripple pattern. This approach provides a means of fabricating surface nanostructure with various patterns and a controllable particle size and distribution by combining ion beam-induced phase decomposition with high-precision FIB patterning. C1 Univ Michigan, Dept Geol Sci, Ann Arbor, MI 48109 USA. Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. RP Univ Michigan, Dept Geol Sci, 1006 CC Little Bldg, Ann Arbor, MI 48109 USA. EM jlian@umich.edu RI Lian, Jie/A-7839-2010; Wei, Qiangmin/D-3931-2011; Zhou, Wei/A-3864-2011; Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 NR 22 TC 32 Z9 32 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 093112 DI 10.1063/1.2181203 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300078 ER PT J AU Mahalingam, K Eyink, KG Brown, GJ Dorsey, DL Kisielowski, CF Thust, A AF Mahalingam, K Eyink, KG Brown, GJ Dorsey, DL Kisielowski, CF Thust, A TI Quantifying stoichiometry of mixed-cation-anion III-V semiconductor interfaces at atomic resolution SO APPLIED PHYSICS LETTERS LA English DT Article ID INAS/GASB SUPERLATTICES; MULTIVARIATE-STATISTICS; MICROSCOPY; FAMILY; HRTEM; LAYER AB Employing the focal-series reconstruction technique in high-resolution transmission electron microscopy, we obtained true atomic resolution images of interfacial disorder within cation and anion sublattices across interfaces in an InGaSb/InAs heterostructure. This enabled independent quantitative mapping of changes in the In-Ga and As-Sb contents across interfacial regions similar to 0.6 nm in width. A comparison of the cation and anion sublattice images revealed that intermixing at the InGaSb-on-InAs interface is confined to the In-Ga sublattice. Also, atomic scale roughness within the As-Sb sublattice of the InAs-on-InGaSb interface was discerned. This approach is general, permitting atomic-scale compositional analysis of heterointerfaces with two species per sublattice. (c) 2006 American Institute of Physics. C1 USAF, Res Lab, Wright Patterson AFB, OH 45433 USA. NCEM, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Forschungszentrum Julich GmbH, Inst Festkorperforsch, D-52425 Julich, Germany. RP Mahalingam, K (reprint author), USAF, Res Lab, Wright Patterson AFB, OH 45433 USA. EM krishnamurthy.mahalingam@wpafb.af.mil RI Thust, Andreas/K-5856-2013 OI Thust, Andreas/0000-0001-6416-7617 NR 20 TC 10 Z9 10 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 091904 DI 10.1063/1.2178771 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300028 ER PT J AU Mares, JJ Hubik, P Kristofik, J Kindl, D Fanta, M Nesladek, M Williams, O Gruen, DM AF Mares, JJ Hubik, P Kristofik, J Kindl, D Fanta, M Nesladek, M Williams, O Gruen, DM TI Weak localization in ultrananocrystalline diamond SO APPLIED PHYSICS LETTERS LA English DT Article ID FILMS AB In this letter we present results of magnetotransport measurements, carried out on heavily nitrogen-doped ultrananocrystalline diamond films, prepared by plasma-enhanced chemical vapor deposition. This material having at room temperature appreciably high electric conductivity (similar to 4200 S m(-1)) revealed surprisingly at Kelvin temperatures a giant negative magnetoresistance reaching up to 22% at 1.28 K and at 8 T. The analysis of experimental data has borne evidence of the fact that the transport in this subsystem has a character of low-dimensional disordered metal and it is controlled by quantum interference effects of electrons resulting in their weak localization. (c) 2006 American Institute of Physics. C1 Acad Sci Czech Republ, Inst Phys, Prague 16253 6, Czech Republic. CEA Saclay, LIST, F-91191 Gif Sur Yvette, France. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. RP Mares, JJ (reprint author), Acad Sci Czech Republ, Inst Phys, Cukrovarnicka 10Na Slovance 2, Prague 16253 6, Czech Republic. EM semicon@fzu.cz RI Williams, Oliver/B-2776-2009; Kindl, Dobroslav/G-6724-2014; Kristofik, Jozef/H-1357-2014; Mares, Jiri/H-2856-2014; Hubik, Pavel/F-8587-2014; OI Mares, Jiri/0000-0002-1669-724X; Hubik, Pavel/0000-0002-7321-8858; Williams, Oliver/0000-0002-7210-3004 NR 13 TC 38 Z9 40 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 092107 DI 10.1063/1.2176853 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300051 ER PT J AU Pan, DH Klymyshyn, N Hu, DH Lu, HP AF Pan, DH Klymyshyn, N Hu, DH Lu, HP TI Tip-enhanced near-field Raman spectroscopy probing single dye-sensitized TiO2 nanoparticles SO APPLIED PHYSICS LETTERS LA English DT Article ID INTERFACIAL ELECTRON-TRANSFER; TRANSFER DYNAMICS; CHARGE-TRANSFER; MICROSCOPY; REORGANIZATION; BARRIERS AB The correlated metallic tip-enhanced Raman spectroscopy and atomic force microscopy (AFM) technique was used to characterize dye-sensitized titanium oxide (TiO2) nanoparticles. We have obtained the near-field Raman spectra that are associated with the photo-induced charge transfer reaction in Ru(4,4'-dicarboxy-2,2'-bipyridine)(2)(NCS)(2)-sensitized TiO2 single nanoparticles. This method demonstrates that tip-enhanced near-field Raman spectroscopy is an effective approach for understanding inhomogeneous interfacial electron transfers with nanoscale spatial resolution. (c) 2006 American Institute of Physics. C1 Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Lu, HP (reprint author), Pacific NW Natl Lab, Div Chem Sci, Fundamental Sci Directorate, Richland, WA 99352 USA. EM peter.lu@pnl.gov RI Hu, Dehong/B-4650-2010 OI Hu, Dehong/0000-0002-3974-2963 NR 22 TC 26 Z9 27 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 093121 DI 10.1063/1.2176865 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300087 ER PT J AU Shen, TD Schwarz, RB AF Shen, TD Schwarz, RB TI Lowering critical cooling rate for forming bulk metallic glass SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTALLIZATION KINETICS; THERMAL-STABILITY; LIQUID; ALLOY; PD43NI10CU27P20 AB Small volumes of Pd44Ni10Cu26P20 and Pd43.2Ni8.8Cu28P20 were encapsulated in B2O3 and thermally cycled between T-g-60 degrees C and T-l+60 degrees C, where T-g and T-l denote the alloys' glass transition and liquidus temperatures. After this thermal treatment, the critical cooling rates (CCRs) for glass formation can be lowered by an order of magnitude, resulting in a critical cooling rate significantly lower than that reported for any other glass forming alloy melt. These experiments demonstrate that the CCR is not constant but strongly dependent on the degree of heterogeneous nucleation. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Shen, TD (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, MS G755,MST-8, Los Alamos, NM 87545 USA. EM tdshen@lanl.gov NR 15 TC 17 Z9 18 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 091903 DI 10.1063/1.2172160 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300027 ER PT J AU Xiong, G Joly, AG Beck, KM Hess, WP Cai, MD Langford, SC Dickinson, JT AF Xiong, G Joly, AG Beck, KM Hess, WP Cai, MD Langford, SC Dickinson, JT TI In situ photoelectron emission microscopy of a thermally induced martensitic transformation in a CuZnAl shape memory alloy SO APPLIED PHYSICS LETTERS LA English DT Article ID CONSTITUTIVE MODEL; 18R MARTENSITE; WORK FUNCTION; SURFACES AB We report photoelectron emission microscope observations of the thermal martensitic transformation in a CuZnAl shape memory alloy. The phase transformation appears at 48 degrees C during heating and at 42 degrees C upon cooling. The transformation is marked by a sharp change in photoelectron intensity, as well as a significant displacement and reorientation of surface features. The difference in the photoelectron intensity before and after the transformation is attributed to a change in work function of about 0.2 eV. Photoemission electron microscopy provides real-time information on microstructural changes and phase-dependent electronic properties. (c) 2006 American Institute of Physics. C1 Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Dickinson, JT (reprint author), Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. EM jtd@wsu.edu NR 19 TC 8 Z9 8 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 091910 DI 10.1063/1.2177450 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300034 ER PT J AU Yang, L Zu, XT Xiao, HY Gao, F Heinisch, HL Kurtz, RJ Liu, KZ AF Yang, L Zu, XT Xiao, HY Gao, F Heinisch, HL Kurtz, RJ Liu, KZ TI Atomistic simulation of helium-defect interaction in alpha-iron SO APPLIED PHYSICS LETTERS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; STAINLESS-STEEL; MICROSTRUCTURAL EVOLUTION; DISPLACEMENT CASCADES; VACANCY CLUSTERS; RADIATION; FE; IRRADIATION; MIGRATION; ZIRCONIUM AB Molecular dynamics (MD) methods are utilized to study the formation of vacancy clusters created by displacement cascades in alpha-Fe containing different concentrations of substitutional He atoms. Primary knock-on atom energies, E-p, from 500 eV to 20 keV are considered at a temperature of 100 K, and the results are compared with those performed in pure alpha-Fe. There are distinct differences in the number and size of vacancy clusters within displacement cascades with and without substitutional helium atoms. It is found that many large vacancy clusters can be formed within cascade cores in alpha-Fe with helium atoms, in contrast to a few small vacancy clusters observed in pure alpha-Fe. The number and size of helium/vacancy clusters generally increase with increasing helium concentration and PKA energy. One of the striking results is that the number of self-interstitial atoms (SIAs) and the size of interstitial clusters are much smaller than those in pure alpha-Fe. (c) 2006 American Institute of Physics. C1 Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. China Acad Engn Phys, Natl Key Lab Surface Phys & Chem, Mianyang 621907, Peoples R China. RP Zu, XT (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM xiaotaozu@yahoo.com RI Xiao, Haiyan/A-1450-2012; Gao, Fei/H-3045-2012 NR 19 TC 42 Z9 45 U1 1 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 091915 DI 10.1063/1.2178767 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300039 ER PT J AU Yu, KM Walukiewicz, W Ager, JW Bour, D Farshchi, R Dubon, OD Li, SX Sharp, ID Haller, EE AF Yu, KM Walukiewicz, W Ager, JW Bour, D Farshchi, R Dubon, OD Li, SX Sharp, ID Haller, EE TI Multiband GaNAsP quaternary alloys SO APPLIED PHYSICS LETTERS LA English DT Article ID V SEMICONDUCTOR ALLOYS; BAND-GAP; MUTUAL PASSIVATION; GAN(X)P1-X ALLOYS; ION-IMPLANTATION; GROUP-III; NITROGEN; IMPROVEMENT; EFFICIENCY; ENERGY AB We have synthesized GaNxAs1-yPy alloys (x similar to 0.003-0.01 and y=0-0.4) using nitrogen (N) ion implantation into GaAsP epilayers followed by pulsed laser melting and rapid thermal annealing techniques. As predicted by the band anticrossing model, the incorporation of N splits the conduction band of the GaAs1-yPy substrate, and strong optical transitions from the valence band to the lower (E-) and upper (E+) conduction subbands are observed. The relative strengths of the E- and E+ transition change as the localized N level E-N emerges from the conduction band forming narrow intermediate band for y>0.3. The results show that GaNxAs1-x-yPy alloys with y>0.3 is a three band semiconductor alloy with potential applications for high-efficiency intermediate band solar cells. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Appl Mat Inc, Santa Clara, CA 95054 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Yu, KM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM kmyu@lbl.gov RI Yu, Kin Man/J-1399-2012; Sharp, Ian/I-6163-2015; OI Yu, Kin Man/0000-0003-1350-9642; Sharp, Ian/0000-0001-5238-7487; Ager, Joel/0000-0001-9334-9751 NR 29 TC 95 Z9 96 U1 6 U2 24 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 27 PY 2006 VL 88 IS 9 AR 092110 DI 10.1063/1.2181627 PG 3 WC Physics, Applied SC Physics GA 018AY UT WOS:000235736300054 ER PT J AU Giannetti, A Citti, L Domenici, C Tedeschi, L Baldini, F Wabuyele, MB Vo-Dinh, T AF Giannetti, A Citti, L Domenici, C Tedeschi, L Baldini, F Wabuyele, MB Vo-Dinh, T TI FRET-based protein-DNA binding assay for detection of active NF-kappa B SO SENSORS AND ACTUATORS B-CHEMICAL LA English DT Article DE NF-kappa B; transcription factor; FRET; protein-DNA interaction ID COMPLEX; REL AB A novel method to detect the active form of NF-kappa B, a transcription factor regulating a battery of inflammatory genes and playing a fundamental role in the development of numerous pathological states, has been developed. In the present work, we used fluorescence resonance energy transfer (FRET) to study DNA-protein binding interaction taking place between double-strand (ds) DNA immobilized in a glass capillary wall and p50 proteins. For this purpose, we developed a regenerable FRET-based system comprising of a single-strand (ss) DNA with auto-complementary sequence that is end-labeled with Cy5 dye and is highly specific for p50 proteins. The proteins were labeled with a Black Hole Quencher (BHQ-3) to be used as FRET pair. The interaction of p50/p50 homodimer active form with its DNA binding site was demonstrated by both electrophoretic mobility shift assays and FRET studies. These preliminary results demonstrated the feasibility of the FRET-based DNA technique to detect the active form of NF-kappa B protein with 90% detection efficiency. In addition, we show that the system is stable and highly regenerable. (c) 2005 Elsevier B.V. All rights reserved. C1 CNR, Inst Clin Physiol, I-56124 Pisa, Italy. CNR, Inst Appl Phys, I-50129 Florence, Italy. Oak Ridge Natl Lab, Ctr Adv Biomed Photon, Div Life Sci, Oak Ridge, TN 37831 USA. RP Giannetti, A (reprint author), CNR, Inst Clin Physiol, Via Moruzzi 1, I-56124 Pisa, Italy. EM a.giannetti@ifac.cnr.it RI Giannetti, Ambra/Q-2681-2015; Tedeschi, Lorena/A-5317-2016 OI Giannetti, Ambra/0000-0002-0002-2977; Tedeschi, Lorena/0000-0002-8898-0888 NR 17 TC 17 Z9 18 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-4005 J9 SENSOR ACTUAT B-CHEM JI Sens. Actuator B-Chem. PD FEB 27 PY 2006 VL 113 IS 2 BP 649 EP 654 DI 10.1016/j.snb.2005.07.014 PG 6 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 016AP UT WOS:000235593200011 ER PT J AU Barnard, AS Xiao, Y Cai, Z AF Barnard, AS Xiao, Y Cai, Z TI Modelling the shape and orientation of ZnO nanobelts SO CHEMICAL PHYSICS LETTERS LA English DT Article ID NANOROD ARRAYS; NANOWIRES; MORPHOLOGY; GROWTH; NANOSTRUCTURES; EVOLUTION; WHISKERS; PHASE; SIZE; WELL AB At the nanoscale, zinc oxide forms in many different shapes, the dimensions of which are often closely related to specific properties. Although much attention is focussed on finding methods for controlling the morphology, explanations of phenomena such as the change in crystallographic orientation of the principle axis of one-dimensional nanostructures (with size) are still largely empirical. We have used a shape-dependant thermodynamic model to identify the relationship between size, structure and orientation in zinc oxide nanobelts, and present results showing that growth in the +/-[12 10] direction is a decisive factor in determining the orientation. Published by Elsevier B.V. C1 Univ Oxford, Dept Mat, Oxford OX1 3PH, England. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Barnard, AS (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. EM amanda.barnard@materials.ox.ac.uk RI Barnard, Amanda/A-7340-2011 OI Barnard, Amanda/0000-0002-4784-2382 NR 27 TC 22 Z9 23 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 26 PY 2006 VL 419 IS 4-6 BP 313 EP 316 DI 10.1016/j.cplett.2005.12.003 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 017DT UT WOS:000235675000002 ER PT J AU McEligot, DM Eckelmann, H AF McEligot, DM Eckelmann, H TI Laterally converging duct flows. Part 3. Mean turbulence structure in the viscous layer SO JOURNAL OF FLUID MECHANICS LA English DT Article ID LOW-REYNOLDS-NUMBER; FAVORABLE PRESSURE-GRADIENT; DIRECT NUMERICAL-SIMULATION; WALL-SHEAR-STRESS; BOUNDARY-LAYERS; CHANNEL FLOW; LDA-MEASUREMENTS; HEAT-TRANSFER; PIPE-FLOW; REGION AB In order to provide fundamental bases for incorporating the effects of favourable streamwise pressure gradients into models for internal turbulent flows and turbulent boundary layers, time series measurements with a cross-wire probe and a wall shear stress sensor were obtained simultaneously in an oil channel both for fully developed and laterally converging flows. Data were concentrated in the viscous layer and at the centreplane for slight to highly favourable pressure gradients. (Here the viscous layer is defined as the region where viscous effects are significant, but not necessarily dominant; it includes the 'laminar' and buffer sublayers in the terminology of some investigators). Results presented include comparisons of the profiles of the mean statistics, plus correlations and spectra, of streamwise and wall-normal components, their product and the wall shear stress. The key new data are the measurements of the fluctuating normal component and related statistics in the viscous layer for highly favourable pressure gradients. For the outer half of the viscous layer its root-mean-square fluctuations decrease as the pressure gradient is increased, consistent with heretofore unconfirmed predictions from direct numerical simulations. Based on examination of the probability density distributions, one may conclude that an effect of a strong pressure gradient is to reduce transport of momentum in the outer part of the viscous layer. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. Univ Arizona, Tucson, AZ 85721 USA. Univ Gottingen, Inst Nichtlineare Dynam, D-37073 Gottingen, Germany. Max Planck Inst Dynam & Selbstorganisat, D-37073 Gottingen, Germany. RP Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 91 TC 9 Z9 9 U1 0 U2 1 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD FEB 25 PY 2006 VL 549 BP 25 EP 59 DI 10.1017/S0022112005007482 PG 35 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 022LH UT WOS:000236056800002 ER PT J AU Lewis, AC Bingert, JF Rowenhorst, DJ Gupta, A Geltmacher, AB Spanos, G AF Lewis, AC Bingert, JF Rowenhorst, DJ Gupta, A Geltmacher, AB Spanos, G TI Two- and three-dimensional microstructural characterization of a super-austenitic stainless steel SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE three-dimensional (3D) analysis; 3D reconstruction; austenitic steels; electron backscatter diffraction (EBSD); grain boundary characterization ID GRAIN-BOUNDARY STRUCTURE; INTERGRANULAR CRACKING; TILT BOUNDARIES; SENSITIZATION; CORROSION; 304-STAINLESS-STEEL; CLASSIFICATION; VISUALIZATION; PRECIPITATION; NI-16CR-9FE AB The microstructure, of AL-6XN, a commercial super-austenitic stainless steel, was investigated using novel two- and three-dimensional (3D) analysis and characterization techniques. The austenite matrix, the second-phase sigma precipitates, and the relationships between them have been analyzed, with particular emphasis on the true 3D microstructure of the material, including grain boundary character, grain morphologies and connectivity. A combination of serial sectioning with electron backscatter diffraction (EBSD) analysis allowed for reconstruction of individual grains, and definition of all five degrees of freedom of the grain boundary planes. Second-phase sigma particle size and morphology, crystallography, composition, potential formation mechanisms, orientation relationships, and coherency with the matrix have been analyzed. These results provide boundary conditions for atomistic calculations of specific grain boundary structures as well as the basis for mesoscale image-based models of mechanical behavior of the microstructures. (c) 2005 Elsevier B.V. All rights reserved. C1 CNR, Washington, DC 20001 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Geocenters Inc, Arlington, VA 22203 USA. USN, Res Lab, Div Mat Sci & Technol, Washington, DC 20375 USA. RP CNR, Washington, DC 20001 USA. EM alexis.lewis@nrl.navy.mil NR 37 TC 58 Z9 61 U1 2 U2 29 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD FEB 25 PY 2006 VL 418 IS 1-2 BP 11 EP 18 DI 10.1016/j.msea.2005.09.088 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 018MV UT WOS:000235769400002 ER PT J AU Zhang, SJ Brubaker, C Jiang, C Yang, M Zhong, Y Han, QY Liu, ZK AF Zhang, SJ Brubaker, C Jiang, C Yang, M Zhong, Y Han, QY Liu, ZK TI A combined first-principles calculation and thermodynamic modeling of the F-K-Na system SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE first-principles; thermodynamics; CALPHAD; F-K-Na; tantalum ID SPECIAL QUASIRANDOM STRUCTURES; TOTAL-ENERGY CALCULATIONS; ALKALI FLUORIDE MIXTURES; SODIUM HALIDE SYSTEMS; AUGMENTED-WAVE METHOD; LIQUID METALS; 2-SUBLATTICE MODEL; BASIS-SET; POTASSIUM; MISCIBILITY AB The phase equilibria and thermodynamic properties of the F-K-Na system were analyzed by combining a first-principles approach and calculation of phase diagram (CALPHAD) technique in the present work. The enthalpies of formation for intermediate compounds (KF, NaF and KNa,) in the F-K-Na system and the enthalpies of mixing in bee and halite phases were obtained via first-principles density functional calculations. Using these values together with thermochemical and phase stability data in the literature, computational thermodynamic modeling of the F-K, F-Na, K-Na binary systems and the KF-NaF pseudo-binary system was performed. The isothermal and isopleth sections of the F-K-Na ternary system as well as the liquidus projection were predicted. All calculated results are well within the uncertainties of the experimental data and the results from first-principles calculations. This ternary system forms a basis for better understanding and controlling the extraction process of tantalum. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Zhang, SJ (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM zhangs@ornl.gov RI Jiang, Chao/A-2546-2011; Zhong, Yu/I-1603-2013; Liu, Zi-Kui/A-8196-2009 OI Zhong, Yu/0000-0002-2363-7093; Liu, Zi-Kui/0000-0003-3346-3696 NR 56 TC 7 Z9 8 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD FEB 25 PY 2006 VL 418 IS 1-2 BP 161 EP 171 DI 10.1016/j.msea.2005.11.037 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 018MV UT WOS:000235769400021 ER PT J AU MacLachlan, SP Moulton, JD AF MacLachlan, SP Moulton, JD TI Multilevel upscaling through variational coarsening SO WATER RESOURCES RESEARCH LA English DT Article ID HETEROGENEOUS POROUS-MEDIA; FINITE-ELEMENT-METHOD; ELLIPTIC PROBLEMS; FLOW; CONVERGENCE AB A new efficient multilevel upscaling procedure for single-phase saturated flow in porous media is presented. While traditional approaches to this problem have focused on the computation of an upscaled hydraulic conductivity, here the coarse-scale model is created explicitly from the fine-scale model through the application of operator-induced variational coarsening. This technique, which originated with robust multigrid solvers, has been shown to accurately capture the influence of fine-scale heterogeneous structure over the complete hierarchy of coarse-scale models that it generates. Moreover, implicit in this hierarchy is the construction of interpolation operators that provide a natural and complete multiscale basis for the fine-scale problem. Thus this new multilevel upscaling methodology is similar to the multiscale finite element method, and indeed, it attains similar accuracy in computations of the fine-scale hydraulic head and coarse-scale normal flux on a variety of problems; yet it is an order of magnitude faster on the examples considered here. C1 Univ Colorado, Dept Appl Math, Boulder, CO 80309 USA. Los Alamos Natl Lab, Math Modeling & Anal Grp, Los Alamos, NM 87545 USA. RP MacLachlan, SP (reprint author), Univ Colorado, Dept Appl Math, UCB 526, Boulder, CO 80309 USA. EM scott.maclachlan@colorado.edu; moulton@lanl.gov NR 22 TC 18 Z9 18 U1 1 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD FEB 25 PY 2006 VL 42 IS 2 AR W02418 DI 10.1029/2005WR003940 PG 9 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 021GC UT WOS:000235970700001 ER PT J AU Perez-Vilar, J Mabolo, R McVaugh, CT Bertozzi, CR Boucher, RC AF Perez-Vilar, J Mabolo, R McVaugh, CT Bertozzi, CR Boucher, RC TI Mucin granule intraluminal organization in living mucous/goblet cells - Roles of protein post-translational modifications and secretion SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ENDOPLASMIC-RETICULUM; O-GLYCOSYLATION; ION-EXCHANGE; MUC5AC MUCIN; RELEASE; EXOCYTOSIS; KINETICS; PEPTIDE; PATHWAY; CA2+ AB Recent studies suggest that the mucin granule lumen consists of a matrix meshwork embedded in a fluid phase. Secretory products can both diffuse, although very slowly, through the meshwork pores and interact noncovalently with the matrix. Using a green fluorescent protein-mucin fusion protein (SHGFP-MUC5AC/CK) as a FRAP (fluorescence recovery after photobleaching) probe, we have assessed in living mucous cells the relative importance of different protein post-translational modifications on the intragranular organization. Long term inhibition of mucin-type O-glycosylation, sialylation, or sulfation altered SHGFP-MUC5AC/CK characteristic diffusion time (t(1/2)), whereas all but sulfation diminished its mobile fraction. Reduction of protein disulfide bonds with tris(hydroxypropyl) phosphine resulted in virtually complete immobilization of the SHGFP-MUC5AC/CK intragranular pool. However, when activity of the vacuolar H+-ATPase was also inhibited, disulfide reduction decreased SHGFP-MUC5AC/CKt(1/2) while diminishing its intraluminal concentration. Similar FRAP profiles were observed in granules that remained in the cells after the addition of amucin secretagogue. Taken together these results suggest that: (a) the relative content of O-glycans and intragranular anionic groups is crucial for protein diffusion through the intragranular meshwork; (b) protein-protein, rather than carbohydrate-mediated, interactions are responsible for binding of SHGFP-MUC5AC/CK to the immobile fraction, although the degree of matrix O-glycosylation and sialylation affects such interactions; (c) intragranular organization does not depend on covalent multimerization of mucins or the presence of native disulfide bonds in the intragranular mucin/proteins, but rather on specific protein-mediated interactions that are important during the early stages of mucin matrix condensation; (d) alterations of the intragranular matrix precede granule discharge, which can be partial and, accordingly, does not necessarily involve the disappearance of the granule. C1 Univ N Carolina, Cyst Fibrosis Pulm Res & Treatment Ctr, Chapel Hill, NC 27599 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Howard Hughes Med Inst, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Perez-Vilar, J (reprint author), Univ N Carolina, Cyst Fibrosis Pulm Res & Treatment Ctr, CB7248, Chapel Hill, NC 27599 USA. EM juan_vilar@med.unc.edu FU NCI NIH HHS [P50 CA89520]; NIDDK NIH HHS [DK63030]; NIGMS NIH HHS [GM66047] NR 63 TC 21 Z9 23 U1 0 U2 3 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD FEB 24 PY 2006 VL 281 IS 8 BP 4844 EP 4855 DI 10.1074/jbc.M510520200 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 013RF UT WOS:000235426200035 PM 16377632 ER PT J AU Dukelsky, J Gueorguiev, VG Van Isacker, P Dimitrova, S Errea, B Lerma, S AF Dukelsky, J Gueorguiev, VG Van Isacker, P Dimitrova, S Errea, B Lerma, S TI Exact solution of the isovector neutron-proton pairing hamiltonian SO PHYSICAL REVIEW LETTERS LA English DT Article ID NUCLEAR SHELL MODEL; COLLECTIVE MOTION; SUPERCONDUCTIVITY; STATES AB The complete exact solution of the T=1 neutron-proton pairing Hamiltonian is presented in the context of the SO(5) Richardson-Gaudin model with nondegenerate single-particle levels and including isospin symmetry-breaking terms. The power of the method is illustrated with a numerical calculation for Ge-64 for a pf+g(9/2) model space which is out of reach of modern shell-model codes. C1 CSIC, Inst Estruct Mat, Madrid 28006, Spain. Lawrence Livermore Natl Lab, Livermore, CA USA. BAS, Inst Nucl Res & Nucl Energy, Sofia 1784, Bulgaria. Grand Accelerateur Natl Ions Lourds, F-14076 Caen, France. RP Dukelsky, J (reprint author), CSIC, Inst Estruct Mat, Serrona 123, Madrid 28006, Spain. RI Dukelsky, Jorge/I-1118-2015; Gueorguiev, Vesselin/A-9679-2009 OI Dukelsky, Jorge/0000-0002-7715-5487; Gueorguiev, Vesselin/0000-0002-2022-6432 NR 20 TC 35 Z9 35 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 072503 DI 10.1103/PhysRevLett.96.072503 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100019 PM 16606080 ER PT J AU Haines, MG LePell, PD Coverdale, CA Jones, B Deeney, C Apruzese, JP AF Haines, MG LePell, PD Coverdale, CA Jones, B Deeney, C Apruzese, JP TI Ion viscous heating in a magnetohydrodynamically unstable Z pinch at over 2x10(9) Kelvin SO PHYSICAL REVIEW LETTERS LA English DT Article ID WIRE NUMBER; PLASMA; ARGON; NEON AB Pulsed power driven metallic wire-array Z pinches are the most powerful and efficient laboratory x-ray sources. Furthermore, under certain conditions the soft x-ray energy radiated in a 5 ns pulse at stagnation can exceed the estimated kinetic energy of the radial implosion phase by a factor of 3 to 4. A theoretical model is developed here to explain this, allowing the rapid conversion of magnetic energy to a very high ion temperature plasma through the generation of fine scale, fast-growing m=0 interchange MHD instabilities at stagnation. These saturate nonlinearly and provide associated ion viscous heating. Next the ion energy is transferred by equipartition to the electrons and thus to soft x-ray radiation. Recent time-resolved iron spectra at Sandia confirm an ion temperature T-i of over 200 keV (2x10(9) degrees), as predicted by theory. These are believed to be record temperatures for a magnetically confined plasma. C1 Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2BW, England. Ktech Corp Inc, Albuquerque, NM USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. USN, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. RP Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2BW, England. EM m.haines@imperial.ac.uk NR 14 TC 51 Z9 51 U1 1 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 075003 DI 10.1103/PhysRevLett.96.075003 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100039 PM 16606100 ER PT J AU Hu, SX Collins, LA AF Hu, SX Collins, LA TI Attosecond pump probe: Exploring ultrafast electron motion inside an atom SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIFFERENTIAL CROSS-SECTIONS; DOUBLE-IONIZATION; HELIUM; PHOTOIONIZATION; DYNAMICS; PULSES; ENERGY AB The attosecond pump probe, in close analogy to the standard femtosecond probing technique, has been proposed and theoretically demonstrated with its application to explore ultrafast electron motions inside atoms. We have performed realistic modeling for the full dynamics of both the femtosecond pumping and the attosecond probing processes. Our simulations have illustrated that an ultrashort oscillation period of 2.0 fs can be mapped out for a wave packet in low-lying excited states of the helium atom. This opens the prospect of a wealth of similar pump probe experiments to examine ultrafast electronic or atomic motions. C1 Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Theoret Div, POB 1663, Los Alamos, NM 87545 USA. EM suxing@lanl.gov; lac@lanl.gov RI Hu, Suxing/A-1265-2007 OI Hu, Suxing/0000-0003-2465-3818 NR 24 TC 82 Z9 83 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 073004 DI 10.1103/PhysRevLett.96.073004 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100023 PM 16606084 ER PT J AU Lai, K Pan, W Tsui, DC Lyon, S Muhlberger, M Schaffler, F AF Lai, K Pan, W Tsui, DC Lyon, S Muhlberger, M Schaffler, F TI Intervalley gap anomaly of two-dimensional electrons in silicon SO PHYSICAL REVIEW LETTERS LA English DT Article ID INVERSION LAYER; SI; SUPERCONDUCTIVITY; TRANSITIONS; SYSTEMS AB We report here a systematic study of the energy gaps at the odd-integer quantum Hall states nu=3 and 5 under tilted magnetic (B) fields in a high quality Si two-dimensional electron system. Out of the coincidence region, the valley splitting is independent of the in-plane B fields. However, the nu=3 valley gap differs by about a factor of 3 (Delta(v)similar to 0.4 vs 1.2 K) on different sides of the coincidence. More surprisingly, instead of reducing to zero, the energy gaps at nu=3 and 5 rise rapidly when approaching the coincidence angles. We believe that such an anomaly is related to strong couplings of the nearly degenerate Landau levels. C1 Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Linz, Inst Halbleiterphys, A-4040 Linz, Austria. RP Lai, K (reprint author), Princeton Univ, Dept Elect Engn, Princeton, NJ 08544 USA. RI Muhlberger, Michael/A-6586-2010; Schaffler, Friedrich/C-7026-2017 OI Schaffler, Friedrich/0000-0002-7093-2554 NR 28 TC 19 Z9 19 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 076805 DI 10.1103/PhysRevLett.96.076805 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100064 PM 16606125 ER PT J AU Mihaila, B Opeil, CP Drymiotis, FR Smith, JL Cooley, JC Manley, ME Migliori, A Mielke, C Lookman, T Saxena, A Bishop, AR Blagoev, KB Thoma, DJ Lashley, JC Lang, BE Boerio-Goates, J Woodfield, BF Schmiedeshoff, GM AF Mihaila, B Opeil, CP Drymiotis, FR Smith, JL Cooley, JC Manley, ME Migliori, A Mielke, C Lookman, T Saxena, A Bishop, AR Blagoev, KB Thoma, DJ Lashley, JC Lang, BE Boerio-Goates, J Woodfield, BF Schmiedeshoff, GM TI Pinning frequencies of the collective modes in alpha-uranium SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHARGE-DENSITY-WAVE; ORTHORHOMBIC TAS3; DYNAMICS; STATE; METAL; HEAT; SCATTERING; TRANSPORT; NBSE3 AB Uranium is the only known element that features a charge-density wave (CDW) and superconductivity. We report a comparison of the specific heat of single-crystal and polycrystalline alpha-uranium. In the single crystal we find excess contributions to the heat capacity at 41 K, 38 K, and 23 K, with a Debye temperature Theta(D)=256 K. In the polycrystalline sample the heat capacity curve is thermally broadened (Theta(D)=184 K), but no excess heat capacity was observed. The excess heat capacity C-phi (taken as the difference between the single-crystal and polycrystal heat capacities) is well described in terms of collective-mode excitations above their respective pinning frequencies. This attribution is represented by a modified Debye spectrum with two cutoff frequencies, a pinning frequency nu(0) for the pinned CDW (due to grain boundaries in the polycrystal), and a normal Debye acoustic frequency occurring in the single crystal. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Brigham Young Univ, Dept Chem & Biochem, Provo, UT 84602 USA. Occidental Coll, Dept Phys, Los Angeles, CA 90041 USA. RP Mihaila, B (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Mihaila, Bogdan/D-8795-2013; Cooley, Jason/E-4163-2013; Manley, Michael/N-4334-2015; OI Mihaila, Bogdan/0000-0002-1489-8814; Lookman, Turab/0000-0001-8122-5671 NR 27 TC 12 Z9 12 U1 0 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 076401 DI 10.1103/PhysRevLett.96.076401 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100053 PM 16606114 ER PT J AU Santra, R Gordon, A AF Santra, R Gordon, A TI Three-step model for high-harmonic generation in many-electron systems SO PHYSICAL REVIEW LETTERS LA English DT Article ID IONIZATION; ORBITALS AB The three-step model (TSM) of high-harmonic generation (HHG) is generalized to atomic and molecular many-electron systems. Using many-body perturbation theory, corrections to the standard TSM due to exchange and electron-electron correlations are derived. It is shown that canonical Hartree-Fock orbitals represent the most appropriate set of one-electron states for calculating the HHG spectrum. To zeroth order in many-body perturbation theory, a HHG experiment allows direct access, in general, to a combination of occupied Hartree-Fock orbitals rather than to the highest occupied molecular orbital by itself. C1 Argonne Natl Lab, Argonne, IL 60439 USA. MIT, Elect Res Lab, Cambridge, MA 02139 USA. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Santra, Robin/E-8332-2014 OI Santra, Robin/0000-0002-1442-9815 NR 23 TC 63 Z9 64 U1 0 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 073906 DI 10.1103/PhysRevLett.96.073906 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100033 PM 16606094 ER PT J AU Snezhko, A Aranson, IS Kwok, WK AF Snezhko, A Aranson, IS Kwok, WK TI Surface wave assisted self-assembly of multidomain magnetic structures SO PHYSICAL REVIEW LETTERS LA English DT Article ID VIBRATED GRANULAR LAYER; FARADAY INSTABILITY; TRANSITION; PATTERNS AB An ensemble of magnetic microparticles at the liquid surface displays novel snakelike self-assembled structures induced by an alternating magnetic field. We demonstrate that these structures are directly related to surface waves in the liquid generated by the collective response of magnetic microparticles to the alternating magnetic field. The segments of the "snake" exhibit long-range antiferromagnetic ordering, while each segment is composed of ferromagnetically aligned chains of microparticles. The structures exhibit magnetic hysteretic behavior with respect to an external in-plane magnetic field and logarithmic relaxation of the remanent magnetic moment. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Snezhko, A (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Aranson, Igor/I-4060-2013 NR 26 TC 35 Z9 35 U1 0 U2 14 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 078701 DI 10.1103/PhysRevLett.96.078701 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100087 PM 16606148 ER PT J AU Snijders, PC Rogge, S Weitering, HH AF Snijders, PC Rogge, S Weitering, HH TI Competing periodicities in fractionally filled one-dimensional bands SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHARGE-DENSITY-WAVE; FLUCTUATIONS; RECONSTRUCTION; TRANSITION; SYSTEMS; CHAINS; MODELS AB We present a variable temperature scanning tunneling microscopy and spectroscopy study of the Si(553)-Au atomic chain reconstruction. This quasi-one-dimensional system undergoes at least two charge density wave (CDW) transitions, which can be attributed to electronic instabilities in the fractionally filled 1D bands of the high-symmetry phase. Upon cooling, Si(553)-Au first undergoes a single-band Peierls distortion, resulting in period doubling along the chains. This Peierls state is ultimately overcome by a competing x3 CDW, which is accompanied by a x2 periodicity in between the chains. These locked-in periodicities indicate small charge transfer between the nearly 1/2-filled and 1/4-filled bands. The presence and the mobility of atomic-scale dislocations in the x3 CDW state indicates the possibility of manipulating phase solitons carrying a (spin, charge) of (1/2,+/- e/3) or (0,+/- 2e/3). C1 Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. RI Rogge, Sven/G-3709-2010 NR 25 TC 72 Z9 72 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 076801 DI 10.1103/PhysRevLett.96.076801 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100060 PM 16606121 ER PT J AU Sternberg, M Curtiss, LA Gruen, DM Kedziora, G Horner, DA Redfern, PC Zapol, P AF Sternberg, M Curtiss, LA Gruen, DM Kedziora, G Horner, DA Redfern, PC Zapol, P TI Carbon Ad-dimer defects in carbon nanotubes SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUANTUM-DOT; NANOCRYSTALLINE DIAMOND; PLANAR; WIRES AB The adsorption of carbon dimers on carbon nanotubes leads to a rich spectrum of structures and electronic structure modifications. Barriers for the formation of carbon dimer induced defects are calculated and found to be considerably lower than those for the Stone-Wales defect. The electronic states introduced by the ad-dimers depend on defect structure and tube type and size. Multiple carbon ad-dimers provide a route to structural engineering of patterned tubes that may be of interest for nanoelectronics. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. High Performance Technol Inc, Wright Patterson AFB, OH 45433 USA. N Cent Coll, Naperville, IL 60540 USA. RP Sternberg, M (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zapol@anl.gov RI Zapol, Peter/G-1810-2012 OI Zapol, Peter/0000-0003-0570-9169 NR 24 TC 49 Z9 50 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 075506 DI 10.1103/PhysRevLett.96.075506 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100047 PM 16606108 ER PT J AU Tomita, T Schilling, JS Chen, L Veal, BW Claus, H AF Tomita, T Schilling, JS Chen, L Veal, BW Claus, H TI Enhancement of the critical current density of YBa2Cu3Ox superconductors under hydrostatic pressure SO PHYSICAL REVIEW LETTERS LA English DT Article ID T-C SUPERCONDUCTORS; GRAIN-BOUNDARIES; THIN-FILMS; DEPENDENCE AB The dependence of the critical current density J(c) on hydrostatic pressure to 0.6 GPa is determined for a single 25 degrees [001]-tilt grain boundary in a bicrystalline ring of nearly optimally doped melt-textured YBa2Cu3Ox. J(c) is found to increase rapidly under pressure at +20%/GPa. A new diagnostic method is introduced (pressure-induced J(c) relaxation) which reveals a sizable concentration of vacant oxygen sites in the grain boundary region. Completely filling such sites with oxygen anions should lead to significant enhancements in J(c). C1 Washington Univ, Dept Phys, St Louis, MO 63130 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Tomita, T (reprint author), Washington Univ, Dept Phys, CB 1105,1 Brookings Dr, St Louis, MO 63130 USA. NR 16 TC 8 Z9 8 U1 3 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 077001 DI 10.1103/PhysRevLett.96.077001 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100065 PM 16606126 ER PT J AU Zapf, VS Zocco, D Hansen, BR Jaime, M Harrison, N Batista, CD Kenzelmann, M Niedermayer, C Lacerda, A Paduan, A AF Zapf, VS Zocco, D Hansen, BR Jaime, M Harrison, N Batista, CD Kenzelmann, M Niedermayer, C Lacerda, A Paduan, A TI Bose-Einstein condensation of S=1 nickel spin degrees of freedom in NiCl2-4SC(NH2)(2) SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC-FIELD; SYSTEMS; TLCUCL3 AB It has recently been suggested that the organic compound NiCl2-4SC(NH2)(2) (DTN) undergoes field-induced Bose-Einstein condensation (BEC) of the Ni spin degrees of freedom. The Ni S=1 spins exhibit three-dimensional XY antiferromagnetism above a critical field H-c1 similar to 2 T. The spin fluid can be described as a gas of hard-core bosons where the field-induced antiferromagnetic transition corresponds to Bose-Einstein condensation. We have determined the spin Hamiltonian of DTN using inelastic neutron diffraction measurements, and we have studied the high-field phase diagram by means of specific heat and magnetocaloric effect measurements. Our results show that the field-temperature phase boundary approaches a power-law H-H-c1 proportional to T-c(alpha) near the quantum critical point, with an exponent that is consistent with the 3D BEC universal value of alpha=1.5. C1 Natl High Magnet Field Lab, Los Alamos, NM USA. ETH Honggerberg, Solid State Phys Lab, CH-8093 Zurich, Switzerland. ETH, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Sao Paulo, Inst Fis, BR-01498 Sao Paulo, Brazil. RP Natl High Magnet Field Lab, Los Alamos, NM USA. RI PaduanFilho, Armando/H-2443-2011; Zapf, Vivien/K-5645-2013; Hansen, Britt/G-5821-2014; Niedermayer, Christof/K-4436-2014; Zocco, Diego/O-3440-2014; Jaime, Marcelo/F-3791-2015; Kenzelmann, Michel/A-8438-2008; Batista, Cristian/J-8008-2016; OI Zapf, Vivien/0000-0002-8375-4515; Hansen, Britt/0000-0002-4845-1789; Jaime, Marcelo/0000-0001-5360-5220; Kenzelmann, Michel/0000-0001-7913-4826; Harrison, Neil/0000-0001-5456-7756 NR 17 TC 133 Z9 134 U1 3 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 24 PY 2006 VL 96 IS 7 AR 077204 DI 10.1103/PhysRevLett.96.077204 PG 4 WC Physics, Multidisciplinary SC Physics GA 015LY UT WOS:000235554100074 PM 16606135 ER PT J AU Anderson, KK Monroe, ME Daly, DS AF Anderson, Kevin K. Monroe, Matthew E. Daly, Don S. TI Estimating probabilities of peptide database identifications to LC-FTICR-MS observations SO PROTEOME SCIENCE LA English DT Article ID HIGH-THROUGHPUT; ACCURATE MASS; TIME INFORMATION; TAG STRATEGY; PROTEOME AB Background: The field of proteomics involves the characterization of the peptides and proteins expressed in a cell under specific conditions. Proteomics has made rapid advances in recent years following the sequencing of the genomes of an increasing number of organisms. A prominent technology for high throughput proteomics analysis is the use of liquid chromatography coupled to Fourier transform ion cyclotron resonance mass spectrometry (LC-FTICR-MS). Meaningful biological conclusions can best be made when the peptide identities returned by this technique are accompanied by measures of accuracy and confidence. Methods: After a tryptically digested protein mixture is analyzed by LC-FTICR-MS, the observed masses and normalized elution times of the detected features are statistically matched to the theoretical masses and elution times of known peptides listed in a large database. The probability of matching is estimated for each peptide in the reference database using statistical classification methods assuming bivariate Gaussian probability distributions on the uncertainties in the masses and the normalized elution times. Results: A database of 69,220 features from 32 LC-FTICR-MS analyses of a tryptically digested bovine serum albumin ( BSA) sample was matched to a database populated with 97% false positive peptides. The percentage of high confidence identifications was found to be consistent with other database search procedures. BSA database peptides were identified with high confidence on average in 14.1 of the 32 analyses. False positives were identified on average in just 2.7 analyses. Conclusion: Using a priori probabilities that contrast peptides from expected and unexpected proteins was shown to perform better in identifying target peptides than using equally likely a priori probabilities. This is because a large percentage of the target peptides were similar to unexpected peptides which were included to be false positives. The use of triplicate analyses with a "2 out of 3" reporting rule was shown to have excellent rejection of false positives. C1 Pacific NW Natl Lab, Div Math & Comp Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Daly, DS (reprint author), Pacific NW Natl Lab, Div Math & Comp Sci, Battelle Blvd, Richland, WA 99352 USA. EM kevin.anderson@pnl.gov; matthew.monroe@pnl.gov; ds.daly@pnl.gov OI Anderson, Kevin/0000-0001-5613-5893 NR 12 TC 12 Z9 12 U1 0 U2 1 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1477-5956 J9 PROTEOME SCI JI Proteome Sci. PD FEB 24 PY 2006 VL 4 AR 1 DI 10.1186/1477-5956-4-1 PG 7 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 167RM UT WOS:000246468800001 PM 16504106 ER PT J AU Ramaswamy, V Schwarzkopf, MD Randel, WJ Santer, BD Soden, BJ Stenchikov, GL AF Ramaswamy, V Schwarzkopf, MD Randel, WJ Santer, BD Soden, BJ Stenchikov, GL TI Anthropogenic and natural influences in the evolution of lower stratospheric cooling SO SCIENCE LA English DT Article ID TEMPERATURE TRENDS; WATER-VAPOR; VARIABILITY AB Observations reveal that the substantial cooling of the global lower stratosphere over 1979-2003 occurred in two pronounced steplike transitions. These arose in the aftermath of two major volcanic eruptions, with each cooling transition being followed by a period of relatively steady temperatures. Climate model simulations indicate that the space-time structure of the observed cooling is largely attributable to the combined effect of changes in both anthropogenic factors (ozone depletion and increases in welt-mixed greenhouse gases) and natural factors (solar irradiance variation and volcanic aerosols). The anthropogenic factors drove the overall cooling during the period, and the natural ones modulated the evolution of the cooling. C1 Natl Ocean & Atmospher Adm, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. Natl Ctr Atmospher Res, Boulder, CO 80303 USA. Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ 08901 USA. RP Ramaswamy, V (reprint author), Natl Ocean & Atmospher Adm, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. RI Santer, Benjamin/F-9781-2011; Georgiy, Stenchikov/J-8569-2013; Randel, William/K-3267-2016 OI Randel, William/0000-0002-5999-7162 NR 32 TC 81 Z9 86 U1 0 U2 25 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD FEB 24 PY 2006 VL 311 IS 5764 BP 1138 EP 1141 DI 10.1126/science.1122587 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 017IU UT WOS:000235688100045 PM 16497930 ER PT J AU Feng, ZC Chen, CF Kuo, CT Williams, K Shan, W AF Feng, ZC Chen, CF Kuo, CT Williams, K Shan, W TI The 3rd Asian Conference on Chemical Vapor Deposition (3rd Asian-CVD), Taipei, Taiwan, November 12-14, 2004 - Preface SO SURFACE & COATINGS TECHNOLOGY LA English DT Editorial Material C1 Natl Taiwan Univ, Taipei, Taiwan. Natl Chiao Tung Univ, Hsinchu, Taiwan. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Feng, ZC (reprint author), Natl Taiwan Univ, Taipei, Taiwan. EM zcfeng@cc.ee.ntu.edu.rw NR 0 TC 1 Z9 1 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD FEB 24 PY 2006 VL 200 IS 10 BP 3103 EP 3103 DI 10.1016/j.surfcoat.2005.07.005 PG 1 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 013RN UT WOS:000235427000001 ER PT J AU Anula, HM Myshkin, E Guliaev, A Luman, C Danilov, EO Castellano, FN Bullerjahn, GS Rodgers, MAJ AF Anula, HM Myshkin, E Guliaev, A Luman, C Danilov, EO Castellano, FN Bullerjahn, GS Rodgers, MAJ TI Photo processes on self-associated cationic porphyrins and plastocyanin complexes 1. Ligation of plastocyanin tyrosine 83 onto metalloporphyrins and electron-transfer fluorescence quenching SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ION-PAIR COMPLEXES; ZINC CYTOCHROME-C; SPINACH PLASTOCYANIN; PROTEIN REARRANGEMENT; CHARGE RECOMBINATION; ASSEMBLED COMPLEXES; CRYSTAL-STRUCTURE; LYSINE PEPTIDES; ENERGY-TRANSFER; DRIVING-FORCE AB The spectroscopic properties of the self-associated complexes formed between the anionic surface docking site of spinach plastocyanin and the cationic metalloporphyrins, in which the tyrosine 83 (Y83) moiety is placed just below the docking site, tetrakis(N-methyl-4-pyridyl)porphyrin (Pd(II)TMPyP4+ and Zn(II)TMPyP4+), have been studied and reported herein. The fluorescence quenching phenomenon of the self-assembled complex of Zn(II)TMPyP4+/plastocyanin has also been discovered. The observed red-shifting of the Soret and Q-bands of the UV-visible spectra, ca. 9 nm for Pd(II)TMPyP4+/plastocyanin and ca. 6 nm for the Zn(II)TMPyP4+/ plastocyanin complexes, was explained in terms of exciton theory coupled with the Gouterman model. Thus, the hydroxyphenyl terminus of the Y83 residue of the self-associated plastocyanin/cationic porphyrin complexes was implicated in the charge-transfer ligation with the central metal atoms of these metalloporphyrins. Moreover, ground-state spectrometric-binding studies between Pd(II)TMPyP4+ and the Y83 mutant plastocyanin (Y83F-PC) system proved that Y83 moiety of plastocyanin played a critical role in the formation of such ion-pair complexes. Difference absorption spectra and the Job's plots showed that the electrostatic attractions between the cationic porphyrins and the anionic patch of plastocyanin, bearing the nearby Y83 residue, led to the predominant formation of a self-associated 1:1 complex in the ground-state with significantly high binding constants (K = (8.0 +/- 1.1) x 10(5) M-1 and (2.7 +/- 0.8) x 10(6) M-1 for Pd(II)TMPyP4+ and zinc variant, respectively) in low ionic strength buffer, 1 mM KCl and 1 mM phosphate buffer (pH 7.4). Molecular modeling calculations supported the formation of a 1: 1 self-associated complex between the porphyrin and plastocyanin with an average distance of ca. 9 A between the centers of mass of the porphyrin and Y83 positioned just behind the anionic surface docking site on the protein surface. The photoexcited singlet state of Zn(II)-TMPyP4+ was quenched by the Y83 residue of the self-associated plastocyanin in a static mechanism as evidenced by steady-state and time-resolved fluorescence experiments. Even when all the porphyrin was complexed (more than 97%), significant residual fluorescence from the complex was observed such that the amplitude of quenching of the singlet state of uncomplexed species was enormously obscured. C1 Bowling Green State Univ, Ctr Photochem Sci, Bowling Green, OH 43403 USA. Bowling Green State Univ, Dept Chem, Bowling Green, OH 43403 USA. Bowling Green State Univ, Dept Biol Sci, Bowling Green, OH 43403 USA. Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Bullerjahn, GS (reprint author), Bowling Green State Univ, Ctr Photochem Sci, Bowling Green, OH 43403 USA. EM bullerj@bgnet.bgsu.edu; todgers@bgnet.bgsu.edu RI Castellano, Felix/B-6317-2009; OI Castellano, Felix/0000-0001-7546-8618 FU NCI NIH HHS [CA91027] NR 87 TC 5 Z9 5 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 23 PY 2006 VL 110 IS 7 BP 2545 EP 2559 DI 10.1021/jp054712t PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 015OM UT WOS:000235560700030 PM 16480316 ER PT J AU Koseki, S Matsushita, T Gordon, MS AF Koseki, S Matsushita, T Gordon, MS TI Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7 SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID EFFECTIVE CORE POTENTIALS; MOLECULAR ELECTRONIC WAVEFUNCTIONS; MATRIX INFRARED-SPECTRA; TRANSFORM EMISSION-SPECTROSCOPY; FUNCTIONAL THEORY CALCULATIONS; EFFECTIVE NUCLEAR CHARGES; LASER MAGNETIC-RESONANCE; SPIN-ORBIT CALCULATIONS; AB-INITIO; ENERGY CURVES AB The dissociation curves of low-lying spin-mixed states in monohydrides of groups 6 and 7 were calculated by using an effective core potential (ECP) approach. This approach is based on the multiconfiguration self-consistent field (MCSCF) method, followed by first-order configuration interaction (FOCI) calculations, in which the method employs an ECP basis set proposed by Stevens and co-workers (SBKJC) augmented by a set of polarization functions. Spin-orbit coupling (SOC) effects are estimated within the one-electron approximation by using effective nuclear charges, since SOC splittings obtained with the full Breit-Pauli Hamitonian are underestimated when ECP basis sets are used. The ground states of group 6 hydrides have Omega = 1/2 (X(6)Sigma(1/2)(+)), where Omega is the z component of the total angular momentum quantum number. Although the ground states of group 7 hydrides have Tau = 01, their main adiabatic components are different; the ground state in Muff originates from the lowest (7)Sigma(+), while in TcH and ReH the main component of the ground state is the lowest (5)Sigma(+). The present paper reports a comprehensive set of theoretical results including the dissociation energies, equilibrium distances, electronic transition energies, harmonic frequencies, anharmonicities, and rotational constants for several low-lying spin-mixed states in these hydrides. Transition dipole moments were also computed among the spin-mixed states and large peak positions of electronic transitions are suggested theoretically for these hydrides. The periodic trends of physical properties of metal hydrides are discussed, based on the results reported in this and other recent studies. C1 Osaka Prefecture Univ, Grad Sch Sci, Dept Chem, Osaka 5998531, Japan. Chisso Corp, Chuo Ku, Tokyo 1048555, Japan. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Koseki, S (reprint author), Osaka Prefecture Univ, Grad Sch Sci, Dept Chem, 1-1 Gakuen Cho, Osaka 5998531, Japan. EM shiro@c.s.osakafu-u.ac.jp; mark@si.fi.ameslab.gov NR 72 TC 24 Z9 24 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 23 PY 2006 VL 110 IS 7 BP 2560 EP 2570 DI 10.1021/jp056258z PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 015OM UT WOS:000235560700031 PM 16480317 ER PT J AU Liu, YX Scully, SR McGehee, MD Liu, JS Luscombe, CK Frechet, JMJ Shaheen, SE Ginley, DS AF Liu, YX Scully, SR McGehee, MD Liu, JS Luscombe, CK Frechet, JMJ Shaheen, SE Ginley, DS TI Dependence of band offset and open-circuit voltage on the interfacial interaction between TiO2 and carboxylated polythiophenes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; PHOTOVOLTAIC CELLS; ELECTRONIC-PROPERTIES; ACID DERIVATIVES; CHARGE-TRANSFER; DEVICES; METAL; PERFORMANCE; SURFACES; CDSE AB The interface of planar TiO2/polymer photovoltaic cells was modified with two carboxylated polythiophenes having different densities of carboxylic acid groups. Both of the interface modifiers increase the photocurrent of the cells but lower the open-circuit voltage. The work function of the TiO2, measured using a Kelvin probe, increases with increasing density of carboxylic acid groups due to the formation of interfacial dipoles pointing toward the TiO2 surface. The formation of interfacial dipoles results in a shift in the band offset at the TiO2/polymer interface, which explains the decrease in the open-circuit voltage. This work demonstrates that care must be taken when using carboxylic acid side groups to attach polymers to titania surfaces in photovoltaic cells. If the density of attachment groups is just enough to attach the polymer, then the benefits of the interface modifier can be realized without substantially decreasing the open-circuit voltage. C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP McGehee, MD (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM mmcgehee@stanford.edu RI Shaheen, Sean/M-7893-2013; OI Luscombe, Christine/0000-0001-7456-1343; Frechet, Jean /0000-0001-6419-0163 NR 35 TC 86 Z9 86 U1 0 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 23 PY 2006 VL 110 IS 7 BP 3257 EP 3261 DI 10.1021/jp056576y PG 5 WC Chemistry, Physical SC Chemistry GA 015OO UT WOS:000235560900045 PM 16494337 ER PT J AU Konychev, AV Nadolsky, PM AF Konychev, AV Nadolsky, PM TI Universality of the Collins-Soper-Sterman nonperturbative function in vector boson production SO PHYSICS LETTERS B LA English DT Article ID TRANSVERSE-MOMENTUM DISTRIBUTIONS; TO-BACK JETS; CROSS-SECTIONS; QCD AB We revise the b(*) model for the Collins-Soper-Sterman resummed form factor to improve description of the leading-power contribution at nearly nonperturbative impact parameters. This revision leads to excellent agreement of the transverse momentum resummation with the data in a global analysis of Drell-Yan lepton pair and Z boson production. The nonperturbative contributions are found to follow universal quasi-linear dependence on the logarithm of the heavy boson invariant mass, which closely agrees with an estimate from the infrared renormalon analysis. (c) 2006 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. RP Nadolsky, PM (reprint author), Argonne Natl Lab, High Energy Phys Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nadolsky@hep.anl.gov NR 22 TC 58 Z9 58 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD FEB 23 PY 2006 VL 633 IS 6 BP 710 EP 714 DI 10.1016/j.physletb.2005.12.063 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 015QU UT WOS:000235566700007 ER PT J AU Becher, T Neubert, M AF Becher, T Neubert, M TI Toward a NNLO calculation of the (B)over-bar -> X-s gamma decay rate with a cut on photon energy: I. Two-loop result for the soft function SO PHYSICS LETTERS B LA English DT Article ID MESON DECAYS; WILSON LOOPS; RENORMALIZATION; QCD; SPECTRUM; OPERATORS; SCHEME; ORDER AB A theoretical analysis of the partial inclusive (B) over bar -> X(S)gamma decay rate with a cut E gamma >= E-0 on photon energy must deal with short-distance contributions associated with three different mass scales: the hard scale root m(b)Delta, ail intermediate scale and a soft scale Delta, where Delta = m(b) - 2E(0) approximate to 1 GeV for E-0 approximate to 1.8 GeV. The cut-dependent effects are described in terms of two perturbative objects called the jet function and the soft function, which for a next-to-next-to-leading order analysis of the decay rate are required with two-loop accuracy. The two-loop calculation of the soft function is presented here, while that of the jet function will be described in a subsequent paper. As a by-product, we rederive the two-loop anomalous-dimension kernel of the B-meson shape-function. (c) 2006 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Cornell Univ, Newman Lab Elementary Particle Phys, Inst High Energy Phenomenol, Ithaca, NY 14853 USA. Heidelberg Univ, Inst Theoret Phys, D-69120 Heidelberg, Germany. RP Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM becher@fnal.gov NR 34 TC 70 Z9 71 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 23 PY 2006 VL 633 IS 6 BP 739 EP 747 DI 10.1016/j.physietb.2006.01.006 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 015QU UT WOS:000235566700012 ER PT J AU Han, ZH Mohottala, HE Budnick, JI Hines, WA Klamut, PW Dabrowski, B Maxwell, M AF Han, ZH Mohottala, HE Budnick, JI Hines, WA Klamut, PW Dabrowski, B Maxwell, M TI Complex low-temperature magnetic behaviour of the ordered double-perovskite Sr2RuGdO6 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID CRYSTAL-STRUCTURES; NMR; EU AB In order to investigate the various interactions in a system consisting of both a 4d transition metal (Ru) and a 4f rare earth (Gd), a combined nuclear magnetic resonance (NMR) and magnetization study has been carried out on the ordered double-perovskite Sr2RuGdO6. As the temperature is reduced, an antiferromagnetic ordering (type-I) of the Ru sublattice occurs at T-1 = 33 K, which is a consequence of the Ru-O-O-Ru superexchange interactions. A second magnetic transition occurs between 30 and 10 K, which is characterized by a maximum in magnetization at T-2 = 17 K, along with hysteretic behaviour, and reflects the importance of the Ru-O-Gd interactions over this temperature range. For T-3 < 2 K, the Gd sublattice orders antiferromagnetically, which is a consequence of the emergence of strong Gd-O-O-Gd interactions. In an external magnetic field, a temperature-dependent spin reorientation is observed. The NMR spectrum for Sr2RuGdO6 at 1.3 K consists of two peaks at 119 and 133 MHz corresponding to the Ru-99 and Ru-101 isotopes, respectively, and a hyperfine field of 605 kOe. The evolution of the Ru-101 NMR peak in,an applied magnetic field reveals the existence of a ferromagnetic phase in the antiferromagnetic matrix at low temperature, indicating a complex competition and coexistence of different magnetic interactions in Sr2RuGdO6. C1 Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. RP Han, ZH (reprint author), Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. EM zhan@phys.uconn.edu RI Han, Zhaohui/A-1118-2007 NR 22 TC 8 Z9 8 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD FEB 22 PY 2006 VL 18 IS 7 BP 2273 EP 2283 DI 10.1088/0953-8984/18/7/014 PG 11 WC Physics, Condensed Matter SC Physics GA 022HQ UT WOS:000236046600016 ER PT J AU Gnanakaran, S Nussinov, R Garcia, AE AF Gnanakaran, S Nussinov, R Garcia, AE TI Atomic-level description of amyloid beta-dimer formation SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-DYNAMICS; A-BETA(16-22) PEPTIDE; FIBRIL FORMATION; HYDROGEN-BONDS; SIMULATIONS; OLIGOMERIZATION; FRAGMENT; SHEETS C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NCI, Lab Expt & Computat Biol, SAIC, Frederick, MD 21702 USA. Tel Aviv Univ, Dept Human Genet, IL-69978 Tel Aviv, Israel. Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Garcia, AE (reprint author), Los Alamos Natl Lab, T-10 MS K710, Los Alamos, NM 87545 USA. EM angel@rpi.edu OI Gnanakaran, S/0000-0002-9368-3044 FU NCI NIH HHS [N01 CO 12400] NR 27 TC 110 Z9 114 U1 4 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 22 PY 2006 VL 128 IS 7 BP 2158 EP 2159 DI 10.1021/ja0548337 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 015PI UT WOS:000235562900002 PM 16478138 ER PT J AU Schelter, EJ Veauthier, JM Thompson, JD Scott, BL John, KD Morris, DE Kiplinger, JL AF Schelter, EJ Veauthier, JM Thompson, JD Scott, BL John, KD Morris, DE Kiplinger, JL TI 4f-5f heterotrimetallic complexes exhibiting electrochemical and magnetic communication SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article C1 Los Alamos Natl Lab, Chem & Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Morris, DE (reprint author), Los Alamos Natl Lab, Chem & Mat Sci & Technol Div, Los Alamos, NM 87545 USA. EM demorris@lanl.gov; kiplinger@lanl.gov RI Schelter, Eric/E-2962-2013; Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017; OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396; Veauthier, Jacqueline/0000-0003-2206-7786; John, Kevin/0000-0002-6181-9330 NR 11 TC 41 Z9 41 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 22 PY 2006 VL 128 IS 7 BP 2198 EP 2199 DI 10.1021/ja057808+ PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 015PI UT WOS:000235562900022 PM 16478158 ER PT J AU Cho, H Felmy, AR Craciun, R Keenum, JP Shah, N Dixon, DA AF Cho, H Felmy, AR Craciun, R Keenum, JP Shah, N Dixon, DA TI Solution state structure determination of silicate oligomers by Si-29 NMR spectroscopy and molecular modeling SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NUCLEAR MAGNETIC-RESONANCE; AQUEOUS-SOLUTION; CHEMICAL-SHIFTS; POTASSIUM SILICATE; AB-INITIO; BASIS-SETS; ACID; DENSITY; COMPLEXES; ANIONS AB Evidence for nine new solution state silicate oligomers has been discovered by Si-29 NMR homonuclear correlation experiments of Si-29-enriched samples. In addition to enhancing signal sensitivity, the isotopic enrichment increases the probability of the Si-29-Si-29 two-bond scalar couplings that are necessary for the observation of internuclear correlations in 2-D experiments. The proposed assignments are validated by comparisons of experimental and simulated cross-peaks obtained with high digital resolution. The internuclear connectivity indicated by the NMR data suggests that several of these oligomers can have multiple stereoisomers, including conformers and/or diastereomers. The stabilities of these oligomers and their possible stereoisomers have been investigated by electronic structure calculations. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Cho, H (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM hm.cho@pnl.gov NR 71 TC 55 Z9 55 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 22 PY 2006 VL 128 IS 7 BP 2324 EP 2335 DI 10.1021/ja0559202 PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 015PI UT WOS:000235562900052 PM 16478188 ER PT J AU Wiedemann, SH Lewis, JC Ellman, JA Bergman, RG AF Wiedemann, SH Lewis, JC Ellman, JA Bergman, RG TI Experimental and computational studies on the mechanism of N-heterocycle C-H activation by Rh(I) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CARBON-HYDROGEN BONDS; MOLECULAR-ORBITAL METHODS; EFFECTIVE CORE POTENTIALS; IMIDAZOLIUM SALTS; REGIOSELECTIVE ACYLATION; BIOCHEMICAL PATHWAYS; OXIDATIVE ADDITION; CATALYTIC ADDITION; SELECTIVE ADDITION; COMPLEXES AB Evidence is presented for a proposed mechanism of C-H activation of 3-methyl -3,4-dihydroquinazoline (1) by (PCy3)(2)RhCl. One intermediate (3), a coordination complex of 1 with (Pcy(3))(2)RhCl, was identified along the path to the Rh-N-heterocyclic carbene product of this reaction (2). Isotopic labeling and reaction-rate studies were used to demonstrate that C-H activation takes place intramolecularly on the reaction coordinate between 3 and 2. Computational studies corroborate the proposed mechanism and suggest that the rate-limiting step is oxidative addition of the C-H bond to the metal center. The consequences of this mechanism for coupling reactions of N-heterocycles that occur via Rh-catalyzed C-H bond activation are discussed. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Ellman, JA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu RI Ellman, Jonathan/C-7732-2013 FU NIGMS NIH HHS [R01 GM069559-04, GM 069559, R01 GM069559] NR 76 TC 138 Z9 138 U1 2 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 22 PY 2006 VL 128 IS 7 BP 2452 EP 2462 DI 10.1021/ja0576684 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 015PI UT WOS:000235562900066 PM 16478202 ER PT J AU Baranyai, A Bartok, A Chialvo, AA AF Baranyai, A Bartok, A Chialvo, AA TI Limitations of the rigid planar nonpolarizable models of water SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MONTE-CARLO-SIMULATION; VAPOR-LIQUID; COEXISTENCE PROPERTIES; MOLECULAR SIMULATION; PHASE-EQUILIBRIA; PAIR POTENTIALS; TIP5P MODELS; FLUIDS; ENSEMBLE; CLUSTERS AB We analyzed the ability of variants of the SPC/E and TIP4P types of water models to describe the temperature dependence of their second virial coefficients, liquid-vapor phase envelopes, and corresponding coexistence vapor pressure. We complete the characterization of the two most promising models by testing their adequacy to predict the structure of the 13 known crystalline phases of ice by (Parrinello-Rahman) isothermal-isobaric Monte Carlo simulations. While these models perform well for the description of properties to which their force fields were fitted (density, heat of vaporization, structure at the level of pair correlations), their transferability to the entire phase diagram is unsatisfactory, i.e., none could significantly mitigate the shortcomings of the original models. In fact, the most appropriate alternative appears to be the TIP4P-EW model, i.e., the recent reparametrization of the original TIP4P water model. Model parametrizations aimed at improving the description of ice behavior fail even in the description of the liquid phase. (c) 2006 American Institute of Physics. C1 Eotvos Lorand Univ, Dept Theoret Chem, H-1518 Budapest 112, Hungary. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Baranyai, A (reprint author), Eotvos Lorand Univ, Dept Theoret Chem, POB 32, H-1518 Budapest 112, Hungary. EM bajtony@para.chem.elte.hu OI Chialvo, Ariel/0000-0002-6091-4563 NR 38 TC 22 Z9 22 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074507 DI 10.1063/1.2151889 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500036 PM 16497057 ER PT J AU Keske, JC Lin, W Pringle, WC Novick, SE Blake, TA Plusquellic, DF AF Keske, JC Lin, W Pringle, WC Novick, SE Blake, TA Plusquellic, DF TI High-resolution studies of tropolone in the S-0 and S-1 electronic states: Isotope driven dynamics in the zero-point energy levels SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID VIBRATION-ROTATION INTERACTION; JET-COOLED TROPOLONE; PROTON-TRANSFER; POLYATOMIC-MOLECULES; INTERNAL-ROTATION; METHYL-GROUP; SPECTRUM; SPECTROSCOPY; MALONALDEHYDE; TRANSITIONS AB Rotationally resolved microwave (MW) and ultraviolet (UV) spectra of jet-cooled tropolone have been obtained in S-0 and S-1 electronic states using Fourier-transform microwave and UV-laser/molecular-beam spectrometers. In the ground electronic state, the MW spectra of all heavy-atom isotopomers including one O-18 and four C-13 isotopomers were observed in natural abundance. The OD isotopomer was obtained from isotopically enriched samples. The two lowest tunneling states of each isotopomer except O-18 have been assigned. The observed inversion splitting for the OD isotopomer is 1523.227(5) MHz. For the asymmetric C-13 structures, the magnitudes of tunneling-rotation interactions are found to diminish with decreasing distance between the heavy atom and the tunneling proton. In the limit of closest approach, the 0(+) state of O-18 was well fitted to an asymmetric rotor Hamiltonian, reflecting significant changes in the tautomerization dynamics. Comparisons of the substituted atom coordinates with theoretical predictions at the MP2/aug-cc-pVTZ level of theory suggest the localized 0(+) and 0(-) wave functions of the heavier isotopes favor the C-OH and C=O forms of tropolone, respectively. The only exception occurs for the C-13-OH and C-13=O structures which correlate to the 0(-) and 0(+) states, respectively. These preferences reflect kinetic isotope effects as quantitatively verified by the calculated zero-point energy differences between members of the asymmetric atom pairs. From rotationally resolved data of the 0(+)<- 0(+) and 0(-)<- 0(-) bands in S-1, line-shape fits have yielded Lorentzian linewidths that differ by 12.2(16) MHz over the 19.88(4) cm(-1) interval in S-1. The fluorescence decay rates together with previously reported quantum yield data give nonradiative decay rates of 7.7(5)x10(8) and 8.5(5)x10(8) s(-1) for the 0(+) and 0(-) levels of the S-1 state of tropolone. (c) 2006 American Institute of Physics. C1 Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA. Wesleyan Univ, Middletown, CT 06459 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Keske, JC (reprint author), Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA. EM david.plusquellic@nist.gov RI lin, wei/D-3591-2009 NR 51 TC 16 Z9 16 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074309 DI 10.1063/1.2165652 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500017 PM 16497038 ER PT J AU Leng, YS Cummings, PT AF Leng, YS Cummings, PT TI Hydration structure of water confined between mica surfaces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS; ELECTROLYTE-SOLUTIONS; SUBNANOMETER FILMS; FLUIDITY; FORCES; MODEL; ICE; NA; LI AB We report further molecular dynamics simulations on the structure of bound hydration layers under extreme confinement between mica surfaces. We find that the liquid phase of water is maintained down to 2 monolayer (ML) thick, whereas the structure of the K+ ion hydration shell is close to the bulk structure even under D=0.92 nm confinement. Unexpectedly, the density of confined water remains approximately the bulk value or less, whereas the diffusion of water molecules decreases dramatically. Further increase in confinement leads to a transition to a bilayer ice, whose density is much less than that of ice Ih due to the formation of a specific hydrogen-bonding network. C1 Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Nanomat Theory Inst, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Leng, YS (reprint author), Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. EM yongsheng.leng@vanderbilt.edu RI Cummings, Peter/B-8762-2013 OI Cummings, Peter/0000-0002-9766-2216 NR 24 TC 73 Z9 74 U1 1 U2 24 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074711 DI 10.1063/1.2172589 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500053 PM 16497074 ER PT J AU Scherlis, DA Fattebert, JL Gygi, F Cococcioni, M Marzari, N AF Scherlis, DA Fattebert, JL Gygi, F Cococcioni, M Marzari, N TI A unified electrostatic and cavitation model for first-principles molecular dynamics in solution SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; POLARIZABLE CONTINUUM MODEL; SCALED PARTICLE THEORY; 1ST PRINCIPLES SIMULATIONS; SIMPLE COMPUTATIONAL MODEL; SOLVATION FREE-ENERGIES; AB-INITIO; OPTICAL-TRANSITIONS; SURFACE-TENSION; SOLVENT AB The electrostatic continuum solvent model developed by [Fattebert and Gygi J. Comput. Chem. 23, 662 (2002); Int. J. Quantum Chem. 93, 139 (2003)] is combined with a first-principles formulation of the cavitation energy based on a natural quantum-mechanical definition for the surface of a solute. Despite its simplicity, the cavitation contribution calculated by this approach is found to be in remarkable agreement with that obtained by more complex algorithms relying on a large set of parameters. Our model allows for very efficient Car-Parrinello simulations of finite or extended systems in solution and demonstrates a level of accuracy as good as that of established quantum-chemistry continuum solvent methods. We apply this approach to the study of tetracyanoethylene dimers in dichloromethane, providing valuable structural and dynamical insights on the dimerization phenomenon. (c) 2006 American Institute of Physics. C1 MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. MIT, Inst Soldier Nanotechnol, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Scherlis, DA (reprint author), MIT, Dept Mat Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM damian@qi.fcen.uba.ar RI Cococcioni, Matteo/L-5955-2013; Marzari, Nicola/D-6681-2016 OI Marzari, Nicola/0000-0002-9764-0199 NR 75 TC 50 Z9 50 U1 2 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074103 DI 10.1063/1.2168456 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500005 PM 16497026 ER PT J AU Striolo, A Chialvo, AA Cummings, PT Gubbins, KE AF Striolo, A Chialvo, AA Cummings, PT Gubbins, KE TI Simulated water adsorption in chemically heterogeneous carbon nanotubes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ACTIVATED CARBONS; AB-INITIO; NANOPORES; MICROTUBULES; MOLECULES; CHEMISTRY; NANOHORNS; GROWTH; PORES; MODEL AB Grand canonical Monte Carlo simulations are used to study the adsorption of water in single-walled (10:10), (12:12), and (20:20) carbon nanotubes at 298 K. Water is represented by the extended simple point charge model and the carbon atoms as Lennard-Jones spheres. The nanotubes are decorated with different amounts of oxygenated sites, represented as carbonyl groups. In the absence of carbonyl groups the simulated isotherms are characterized by negligible amounts of water uptake at low pressures, sudden and complete pore filling once a threshold pressure is reached, and wide adsorption-desorption hysteresis loops. In the presence of a few carbonyl groups the simulated adsorption isotherms are characterized by pore filling at lower pressures and by narrower adsorption-desorption hysteresis loops compared to the results obtained in the absence of carbonyl groups. Our results show that the distribution of the carbonyl groups has a strong effect on the adsorption isotherms. For carbonyl groups localized in a narrow section the adsorption of water may be gradual because a cluster of adsorbed water forms at low pressures and grows as the pressure increases. For carbonyl groups distributed along the nanotube the adsorption isotherm is of type V. C1 Univ Oklahoma, Sch Chem Biol & Mat Engn, Norman, OK 73019 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. N Carolina State Univ, Dept Chem & Biomol Engn, Raleigh, NC 27695 USA. RP Striolo, A (reprint author), Univ Oklahoma, Sch Chem Biol & Mat Engn, Norman, OK 73019 USA. EM astriolo@ou.edu RI Striolo, Alberto/G-2926-2011; Cummings, Peter/B-8762-2013; OI Cummings, Peter/0000-0002-9766-2216; Chialvo, Ariel/0000-0002-6091-4563 NR 52 TC 44 Z9 45 U1 1 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074710 DI 10.1063/1.2171349 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500052 PM 16497073 ER PT J AU Wang, Z Bird, RG Yu, HG Sears, TJ AF Wang, Z Bird, RG Yu, HG Sears, TJ TI Hot bands in jet-cooled and ambient temperature spectra of chloromethylene SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID FLUORESCENCE EXCITATION SPECTROSCOPY; ORBITAL ANGULAR-MOMENTUM; VIBRATIONAL RESONANCES; TRIATOMIC-MOLECULES; ABSORPTION-SPECTRUM; CHEMICAL-KINETICS; SINGLET CH2; HCCL; TRANSITION; DCCL AB Rotationally resolved spectra of several bands lying to the red of the origin of the (A) over tilde (1)A('')-(X) over tilde (1)A(') band system of chloromethylene (HCCl), were recorded by laser absorption spectroscopy in ambient temperature and jet-cooled samples. The radical was made by excimer laser photolysis of dibromochloromethane, diluted in inert gas, at 193 nm. The jet-cooled sample showed efficient rotational but less vibrational cooling. Analysis showed that the observed bands originate in the (upsilon(1),upsilon(2),upsilon(3))=(010), (001), and (011) vibrational levels of the ground electronic state of the radical, while the upper-state levels involved were (000), (010), (001), and (011). Vibrational energies and rotational constants describing the rotational levels in the lower-state vibrational levels were determined by fitting to combination differences. The analysis also resulted in a reevaluation of the C-Cl stretching frequency in the excited state and we find E-001(')=13 206.57 or 926.17 cm(-1) above the (A) over tilde (1)A('')(000) rotationless level for (HCCl)-Cl-35. Scaled ab initio potential energy surfaces for the (A) over tilde and (X) over tilde states were used to compute the transition moment surface and thereby the relative intensities of different vibronic transitions, providing additional support for the assignments and permitting the prediction of the shorter wavelength spectrum. All the observed upper state levels showed some degree of perturbation in their rotational energy levels, particularly in K-a=1, presumably due to coupling with near-resonant vibrationally excited levels of the ground electronic state. Transitions originating in the low-lying (a) over tilde (3)A('') were also predicted to occur in the same wavelength region, but could not be identified in the spectra. (c) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Wang, Z (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM sears@bnl.gov RI Sears, Trevor/B-5990-2013; Yu, Hua-Gen/N-7339-2015 OI Sears, Trevor/0000-0002-5559-0154; NR 36 TC 19 Z9 19 U1 2 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074314 DI 10.1063/1.2172238 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500022 PM 16497043 ER PT J AU Zhang, T Tang, XN Lau, KC Ng, CY Nicolas, C Peterka, DS Ahmed, M Morton, ML Ruscic, B Yang, R Wei, LX Huang, CQ Yang, B Wang, J Sheng, LS Zhang, YW Qi, F AF Zhang, T Tang, XN Lau, KC Ng, CY Nicolas, C Peterka, DS Ahmed, M Morton, ML Ruscic, B Yang, R Wei, LX Huang, CQ Yang, B Wang, J Sheng, LS Zhang, YW Qi, F TI Direct identification of propargyl radical in combustion flames by vacuum ultraviolet photoionization mass spectrometry SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 2-COLOR PHOTOIONIZATION; HIGH-RESOLUTION; LIGHT-SOURCE; PHOTODISSOCIATION; PHOTOELECTRON; VINYL; ION AB We have developed an effusive laser photodissociation radical source, aiming for the production of vibrationally relaxed radicals. Employing this radical source, we have measured the vacuum ultraviolet (VUV) photoionization efficiency (PIE) spectrum of the propargyl radical (C3H3) formed by the 193 nm excimer laser photodissociation of propargyl chloride in the energy range of 8.5-9.9 eV using high-resolution (energy bandwidth=1 meV) multibunch synchrotron radiation. The VUV-PIE spectrum of C3H3 thus obtained is found to exhibit pronounced autoionization features, which are tentatively assigned as members of two vibrational progressions of C3H3 in excited autoionizing Rydberg states. The ionization energy (IE=8.674 +/- 0.001 eV) of C3H3 determined by a small steplike feature resolved at the photoionization onset of the VUV-PIE spectrum is in excellent agreement with the IE value reported in a previous pulsed field ionization-photoelectron study. We have also calculated the Franck-Condon factors (FCFs) for the photoionization transitions C3H3+((X) over tilde;nu(i),i=1-12)<- C3H3((X) over tilde). The comparison between the pattern of FCFs and the autoionization peaks resolved in the VUV-PIE spectrum of C3H3 points to the conclusion that the resonance-enhanced autoionization mechanism is most likely responsible for the observation of pronounced autoionization features. We also present here the VUV-PIE spectra for the mass 39 ions observed in the VUV synchrotron-based photoionization mass spectrometric sampling of several premixed flames. The excellent agreement of the IE value and the pattern of autoionizing features of the VUV-PIE spectra observed in the photodissociation and flames studies has provided an unambiguous identification of the propargyl radical as an important intermediate in the premixed combustion flames. The discrepancy found between the PIE spectra obtained in flames and photodissociation at energies above the IE(C3H3) suggests that the PIE spectra obtained in flames might have contributions from the photoionization of vibrationally excited C3H3 and/or the dissociative photoionization processes involving larger hydrocarbon species formed in flames. (c) 2006 American Institute of Physics. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China. RP Zhang, T (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. EM cyng@chem.ucdavis.edu; mahmed@lbl.gov; ruscic@anl.gov; fqi@ustc.edu.cn RI Yang, Bin/A-7158-2008; Ahmed, Musahid/A-8733-2009; Yang, Rui/H-6476-2011; Qi, Fei/A-3722-2012; Ruscic, Branko/A-8716-2008; Huang, Chaoqun /D-3406-2015; OI Yang, Bin/0000-0001-7333-0017; Ruscic, Branko/0000-0002-4372-6990; Huang, Chaoqun /0000-0003-2862-6024; LAU, Kai Chung /0000-0003-2125-6841 NR 27 TC 21 Z9 21 U1 3 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 21 PY 2006 VL 124 IS 7 AR 074302 DI 10.1063/1.2168448 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 014IP UT WOS:000235473500010 PM 16497031 ER PT J AU Richter, AG Guico, R Shull, K Wang, J AF Richter, AG Guico, R Shull, K Wang, J TI Thickness and interfacial roughness changes in polymer thin films during X-irradiation SO MACROMOLECULES LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; ENERGY-ELECTRON IRRADIATION; RAY-INDUCED DAMAGE; ALKANETHIOLATE MONOLAYERS; RADIATION-DAMAGE; ALKYL CHAINS; PHOTOELECTRON-SPECTROSCOPY; TRANSITION TEMPERATURE; ORGANIC MONOLAYERS; BEAM AB Despite the obvious occurrence of synchrotron X-ray damage to organic thin films, few attempts have been made to qualitatively determine changes to their Structural parameters during X-ray exposure. We report here the use of X-ray reflectivity to study X-radiation damage to thin films of poly(tert-butyl acrylate) and polystyrene at various incident flux densities and sample temperatures. At the flux densities Studied, (0.4-6.7) x 10(9) photons/(s mm(2)), the polyacrylate film thickness decreased during irradiation at rates ranging from -0.1 to -4 angstrom/min, while the Surface roughness increased. The Volume of polymer removed per incident photon ranged from 150 to 1400 angstrom(3)/photon. The rate of the thickness decay of the films was found to be linear with flux density over the range Studied. The damage rate also appears to be directly related to the amount of X-ray energy deposited in the film, not the amount of energy available for creation of secondary electrons at the substrate. At comparable flux densities, polystyrene films heated above the glass transition temperature were found to behave similarly to the polyacrylate films, losing between 40 and 250 angstrom(3)/photon; however, at room temperature polystyrene films instead slightly increased in thickness. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Northwestern Univ, Dept Mat Sci, Evanston, IL 60208 USA. RP Richter, AG (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Andrew.Richter@valpo.edu RI Shull, Kenneth/B-7536-2009 NR 50 TC 12 Z9 12 U1 1 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD FEB 21 PY 2006 VL 39 IS 4 BP 1545 EP 1553 DI 10.1021/ma050060v PG 9 WC Polymer Science SC Polymer Science GA 014IY UT WOS:000235474400036 ER PT J AU Lefenfeldt, M Baumert, J Sloutskin, E Kuzmenko, I Pershan, P Deutsch, M Nuckolls, C Ocko, BM AF Lefenfeldt, M Baumert, J Sloutskin, E Kuzmenko, I Pershan, P Deutsch, M Nuckolls, C Ocko, BM TI Direct structural observation of a molecular junction by high-energy x-ray reflectometry SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE monolayers; structure; x-ray reflectivity; molecular electronics ID BURIED INTERFACES; MERCURY; SURFACE; SPECTROSCOPY; REFLECTION; MONOLAYERS; AU(111) AB We report a direct angstrom resolution measurement of the structure of a molecular-size electronic junction comprising a single (or a double) layer of alkyl-thiol and alkyl-silane molecules at the buried interface between solid silicon and liquid mercury. The high-energy synchrotron x-ray measurements reveal densely packed layers comprising roughly interface-normal molecules. The monolayer's thickness is found to be 3-4 angstrom larger than that of similar layers at the free surfaces of both mercury and silicon. The origins of this and the other unusual features detected are discussed in this article. Measurements of the bilayer junction with an applied potential did not show visible changes in the surface normal structure. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Columbia Univ, Dept Chem, New York, NY 10027 USA. Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. Argonne Natl Lab, Adv Photon Source, Complex Mat Consortium Collaborat Access Team, CMC CAT, Argonne, IL 60439 USA. Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. RP Ocko, BM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM ocko@bnl.gov NR 24 TC 14 Z9 14 U1 0 U2 5 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD FEB 21 PY 2006 VL 103 IS 8 BP 2541 EP 2545 DI 10.1073/pnas.0508070103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 015MG UT WOS:000235554900014 PM 16467139 ER PT J AU Inagaki, F Nunoura, T Nakagawa, S Teske, A Lever, M Lauer, A Suzuki, M Takai, K Delwiche, M Colwell, FS Nealson, KH Horikoshi, K D'Hondt, S Jorgensen, BB AF Inagaki, F Nunoura, T Nakagawa, S Teske, A Lever, M Lauer, A Suzuki, M Takai, K Delwiche, M Colwell, FS Nealson, KH Horikoshi, K D'Hondt, S Jorgensen, BB TI Biogeographical distribution and diversity of microbes in methane hydrate-bearing deep marine sediments, on the Pacific Ocean Margin SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE 165 rRNA gene; deep biosphere; microbial diversity ID FORE-ARC BASIN; SUBSEAFLOOR SEDIMENTS; NANKAI TROUGH; GAS HYDRATE; SUBSURFACE SEDIMENTS; BACTERIAL DIVERSITY; MOLECULAR ANALYSIS; CASCADIA MARGIN; SP-NOV; COMMUNITIES AB The deep subseafloor biosphere is among the least-understood habitats on Earth, even though the huge microbial biomass therein plays an important role for potential long-term controls on global biogeochemical cycles. We report here the vertical and geographical distribution of microbes and their phylogenetic diversities in deeply buried marine sediments of the Pacific Ocean Margins. During the Ocean Drilling Program Legs 201 and 204, we obtained sediment cores from the Peru and Cascadia Margins that varied with respect to the presence of dissolved methane and methane hydrate. To examine differences in prokaryotic distribution patterns in sediments with or without methane hydrates, we studied > 2,800 clones possessing partial sequences (400-500 bp) of the 16S rRNA gene and 348 representative clone sequences (approximate to 1 kbp) from the two geographically separated subseafloor environments. Archaea of the uncultivated Deep-Sea Archaeal Group were consistently the dominant phylotype in sediments associated with methane hydrate. Sediment cores lacking methane hydrates displayed few or no Deep-Sea Archaeal Group phylotypes. Bacterial communities in the methane hydrate-bearing sediments were dominated by members of the JS1 group, Planctomycetes, and Chloroflexi. Results from cluster and principal component analyses, which include previously reported data from the West and East Pacific Margins, suggest that, For these locations in the Pacific Ocean, prokaryotic communities from methane hydrate-bearing sediment cores are distinct from those in hydrate-free cores. The recognition of which microbial groups prevail under distinctive subseafloor environments is a significant step toward determining the role these communities play in Earth's essential biogeochemical processes. C1 Japan Agcy Marine Earth Sci & Technol, Subground Animalcule Retrieval Project, Extremobiosphere Res Ctr, Yokosuka, Kanagawa 2370061, Japan. Univ N Carolina, Dept Marine Sci, Chapel Hill, NC 27599 USA. Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA. Max Planck Inst Marine Microbiol, Dept Biogeochem, D-28359 Bremen, Germany. RP Inagaki, F (reprint author), Japan Agcy Marine Earth Sci & Technol, Subground Animalcule Retrieval Project, Extremobiosphere Res Ctr, Yokosuka, Kanagawa 2370061, Japan. EM inagaki@jamstec.go.jp RI Lever, Mark/C-2134-2011; Nakagawa, Satoshi/D-5198-2012; Jorgensen, Bo/C-2214-2013 OI Lever, Mark/0000-0002-2046-8028; Jorgensen, Bo/0000-0001-9398-8027 NR 35 TC 330 Z9 358 U1 10 U2 98 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD FEB 21 PY 2006 VL 103 IS 8 BP 2815 EP 2820 DI 10.1073/pnas.0511033103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 015MG UT WOS:000235554900061 PM 16477011 ER PT J AU Theocharous, E Deshpande, R Dillon, AC Lehman, J AF Theocharous, E Deshpande, R Dillon, AC Lehman, J TI Evaluation of a pyroelectric detector with a carbon multiwalled nanotube black coating in the infrared SO APPLIED OPTICS LA English DT Article ID OPTICAL-PROPERTIES AB The performance of a pyroelectric detector with a carbon multiwalled nanotube coating was evaluated in the 0.9-14 mu m wavelength range. The relative spectral responsivity of this detector was shown to be flat over most of the wavelength range examined, and the spectral flatness was shown to be comparable to the best infrared black coatings currently available. This finding is promising because black coatings with spectrally flat absorbance profiles are usually associated with the highest absorbance values. The performance of the detector (in terms of noise equivalent power and specific detectivity) was limited by the very thick (250 mu m thick) LiNbO3 pyroelectric crystal onto which the coating was deposited. The responsivity of this detector was shown to be linear in the 0.06-2.8 mW radiant power range, and its spatial uniformity was comparable to that of other pyroelectric detectors that use different types of black coating. The carbon nanotube coatings were reported to be much more durable than other infrared black coatings, such as metal blacks, that are commonly used to coat thermal detectors in the infrared. This, in combination with their excellent spectral flatness, suggests that carbon nanotube coatings appear extremely promising for thermal detection applications in the infrared. (c) 2006 Optical Society of America. C1 Natl Phys Lab, Qual Life Div, Opt Radiat Team, Teddington TW11 0LW, Middx, England. Natl Renewable Energy Lab, Hydrogen Storage Grp, Golden, CO 80401 USA. Natl Inst Stand & Technol, Optoelect Div, Sources Detectors & Displays Grp, Boulder, CO 80305 USA. RP Theocharous, E (reprint author), Natl Phys Lab, Qual Life Div, Opt Radiat Team, Teddington TW11 0LW, Middx, England. EM e.theo@npl.co.uk NR 19 TC 39 Z9 45 U1 3 U2 17 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD FEB 20 PY 2006 VL 45 IS 6 BP 1093 EP 1097 DI 10.1364/AO.45.001093 PG 5 WC Optics SC Optics GA 016NX UT WOS:000235628000001 PM 16523768 ER PT J AU Hau-Riege, SP AF Hau-Riege, SP TI Extending the size-parameter range for plane-wave light scattering from infinite homogeneous circular cylinders SO APPLIED OPTICS LA English DT Article ID MIE; TOMOGRAPHY AB An algorithm that extends the possible size-parameter range for the calculation of plane-wave light scattering from infinite homogeneous circular cylinders by use of Mie-type analysis has been developed. This algorithm is based on the calculation of the ratios of Bessel functions instead of the Bessel functions or their logarithmic derivatives directly. This algorithm agrees with existing methods (when those methods converge). It also converges for large size parameters when other algorithms often do not. (c) 2006 Optical Society of America. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Hau-Riege, SP (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM hauriegel@llnl.gov NR 19 TC 1 Z9 1 U1 0 U2 0 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD FEB 20 PY 2006 VL 45 IS 6 BP 1219 EP 1224 DI 10.1364/AO.45.001219 PG 6 WC Optics SC Optics GA 016NX UT WOS:000235628000018 PM 16523785 ER PT J AU Mahfuz, H Adnan, A Rangari, VK Hasan, MM Jeelani, S Wright, WJ DeTeresa, SJ AF Mahfuz, H Adnan, A Rangari, VK Hasan, MM Jeelani, S Wright, WJ DeTeresa, SJ TI Enhancement of strength and stiffness of Nylon 6 filaments through carbon nanotubes reinforcement SO APPLIED PHYSICS LETTERS LA English DT Article ID POLYMER MATRIX; MECHANICAL CHARACTERIZATION; LOAD-TRANSFER; COMPOSITES; FABRICATION; EPOXY; NANOPARTICLES; ALIGNMENT AB We report a method to fabricate carbon nanotube reinforced Nylon filaments through an extrusion process. In this process, Nylon 6 and multiwalled carbon nanotubes (MWCNT) are first dry mixed and then extruded in the form of continuous filaments by a single screw extrusion method. Thermo gravimetric analysis (TGA) and differential scanning calorimetry (DSC) studies have indicated that there is a moderate increase in T-g without a discernible shift in the melting endotherm. Tensile tests on single filaments have demonstrated that Young's modulus and strength of the nanophased filaments have increased by 220% and 164%, respectively with the addition of only 1 wt. % MWCNTs. SEM studies and micromechanics based calculations have shown that the alignment of MWCNTs in the filaments, and high interfacial shear strength between the matrix and the nanotube reinforcement was responsible for such a dramatic improvement in properties. (c) 2006 American Institute of Physics. C1 Florida Atlantic Univ, Dept Ocean Engn, Boca Raton, FL 33431 USA. Purdue Univ, Sch Aeronaut & Astronaut, W Lafayette, IN 47907 USA. Tuskegee Univ, Ctr Adv Mat, Tuskegee, AL 36088 USA. Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Mahfuz, H (reprint author), Florida Atlantic Univ, Dept Ocean Engn, Boca Raton, FL 33431 USA. EM hmahfuz@oe.fau.edu RI Adnan, Ashfaq/C-4410-2008; OI Wright, Wendelin/0000-0001-6493-6025 NR 19 TC 38 Z9 39 U1 2 U2 21 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 20 PY 2006 VL 88 IS 8 AR 083119 DI 10.1063/1.2179132 PG 3 WC Physics, Applied SC Physics GA 015LQ UT WOS:000235553300077 ER PT J AU Noh, HJ Yeo, S Kang, JS Zhang, CL Cheong, SW Oh, SJ Johnson, PD AF Noh, HJ Yeo, S Kang, JS Zhang, CL Cheong, SW Oh, SJ Johnson, PD TI Jahn-Teller effect in spinel manganites probed by soft x-ray absorption spectroscopy SO APPLIED PHYSICS LETTERS LA English DT Article ID CRYSTAL-FIELD; TRANSITION AB We present soft x-ray absorption spectroscopy (XAS) on spinel manganites and show it can be used as a powerful tool to directly probe the Jahn-Teller (JT) splitting energy in transition metal oxides. The Mn L-2,L-3-edge XAS spectra of the spinel ZnMnxGa2-xO4 (x=0.5,1.0,1.4, and 2.0) and AMn(2)O(4) (A=Mg and Cd) change very systematically with the structural distortion of JT active octahedral sublattices. The XAS spectra are well reproduced by the configuration interaction cluster model including full ionic multiplet structure, and the spectral evolution is explained by JT energy splitting due to the elongation of the MnO6 octahedra in the model. In the O K-edge XAS spectra, the JT distortion produces a weak effect, less distinctive than in L-2,L-3-edge spectra. (c) 2006 American Institute of Physics. C1 Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Rutgers State Univ, Ctr Emergent Mat, Piscataway, NJ 08854 USA. Seoul Natl Univ, Ctr Strongly Correlated Mat Res, Seoul 151742, South Korea. Seoul Natl Univ, Sch Phys, Seoul 151742, South Korea. Catholic Univ Korea, Dept Phys, Puchon 420743, South Korea. Seoul Natl Univ, CSCMR, Seoul 151742, South Korea. Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Noh, HJ (reprint author), Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. EM ffnhj@yahoo.co.kr NR 12 TC 17 Z9 17 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 20 PY 2006 VL 88 IS 8 AR 081911 DI 10.1063/1.2178474 PG 3 WC Physics, Applied SC Physics GA 015LQ UT WOS:000235553300030 ER PT J AU Reiss, BD Bai, GR Auciello, O Ocola, LE Firestone, MA AF Reiss, BD Bai, GR Auciello, O Ocola, LE Firestone, MA TI Identification of peptides for the surface functionalization of perovskite ferroelectrics SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; BINDING-SPECIFICITY; NANOTECHNOLOGY; DEGRADATION; NANOWIRES; SELECTION; MEMORIES; ADHESION AB Combinatorial phage display methods have been used to identify a heptapeptide sequence, ISLLHST, that strongly associates with a perovskite ferroelectric, Pb(ZrxTi1-x)O-3 (PZT). The selectively of peptide binding to polycrystalline metalorganic chemical vapor deposition deposited PZT thin films were determined by titering and immunofluorescence microscopy. Ferroelectric properties were determined by measurement of the P-E hysteresis loop on unmodified and phage bound PZT thin films. No change in the coercive field, E-c, or the saturation polarization, P-s was observed. The remnant polarization, P-R, however, showed a minor reduction after exposure to aqueous buffer and/or phage binding, possibly due to association of compensating surface charges on the PZT. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Firestone, MA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM firestone@anl.gov NR 30 TC 10 Z9 10 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 20 PY 2006 VL 88 IS 8 AR 083903 DI 10.1063/1.2174835 PG 3 WC Physics, Applied SC Physics GA 015LQ UT WOS:000235553300099 ER PT J AU Sirenko, AA Kazimirov, A Ougazzaden, A O'Malley, SM Bilderback, DH Cai, ZH Lai, B Huang, R Gupta, VK Chien, M Chu, SNG AF Sirenko, AA Kazimirov, A Ougazzaden, A O'Malley, SM Bilderback, DH Cai, ZH Lai, B Huang, R Gupta, VK Chien, M Chu, SNG TI Strain relaxation and surface migration effects in InGaAlAs and InGaAsP selective-area-grown ridge waveguides SO APPLIED PHYSICS LETTERS LA English DT Article ID VAPOR-PHASE EPITAXY; X-RAY-DIFFRACTION AB Surface migration of the group-III precursors and strain relaxation at the ridge sidewalls are compared for 2.5 mu m wide waveguides based on InGaAsP and InGaAlAs multiple-quantum-well (MQW) structures. The cross-sectional thickness and strain variations have been measured using synchrotron radiation-based x-ray diffraction with an angular resolution of 2 arc s and a beam size of (0.24x0.35) mu m(2). Indium-rich overgrowth has been observed for the InGaAsP-based waveguides, while InGaAlAs-based waveguides demonstrate thickness uniformity of the MQW active region with a strain relief of 0.4%/mu m at the sidewalls. (c) 2006 American Institute of Physics. C1 New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. Cornell Univ, CHESS, Ithaca, NY 14853 USA. Univ Metz, Lab Mat Opt Photon & Syst, F-57070 Metz, France. Adv Photon Source, Argonne, IL 60439 USA. Multiplex Inc, Breinigsville, PA 18031 USA. RP Sirenko, AA (reprint author), New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. EM sirenko@njit.edu NR 15 TC 15 Z9 16 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 20 PY 2006 VL 88 IS 8 AR 081111 DI 10.1063/1.2177634 PG 3 WC Physics, Applied SC Physics GA 015LQ UT WOS:000235553300011 ER PT J AU Kallivayalil, N van der Marel, RP Alcock, C Axelrod, T Cook, KH Drake, AJ Geha, M AF Kallivayalil, N van der Marel, RP Alcock, C Axelrod, T Cook, KH Drake, AJ Geha, M TI The proper motion of the Large Magellanic Cloud using HST SO ASTROPHYSICAL JOURNAL LA English DT Article DE Magellanic Clouds ID VARIABILITY-SELECTED QUASARS; INERTIAL REFERENCE SYSTEM; MILKY-WAY; MASS; PROJECT; GALAXY; MACHO; STREAM; QSOS; HALO AB We present a measurement of the systemic proper motion of the Large Magellanic Cloud (LMC) from astrometry with the High Resolution Camera (HRC) of the Advanced Camera for Surveys (ACS) on the Hubble Space Telescope (HST). We observed LMC fields centered on 21 background QSOs that were discovered from their optical variability in the MACHO database. The QSOs are distributed homogeneously behind the central few degrees of the LMC. With two epochs of HRC data and a similar to 2 yr baseline, we determine the proper motion of the LMC to better than 5% accuracy: mu(w) = 2: 03 +/- 0: 08 mas yr(-1), and mu(N) = 0:44 +/- 0: 05 mas yr(-1). This is the most accurate proper- motion measurement for any Milky Way satellite thus far. When combined with H I data from the Magellanic Stream, this should provide new constraints on both the mass distribution of the Galactic halo and models of the Stream. C1 Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. CALTECH, Ctr Adv Comp Res, Pasadena, CA 91125 USA. Carnegie Observ, Pasadena, CA 91101 USA. RP Kallivayalil, N (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. EM nkalliva@cfa.harvard.edu; marel@stsci.edu; calcock@cfa.harvard.edu; taxelrod@as.arizona.edu; kcook@llnl.gov; ajd@cacr.caltech.edu; mgeha@ociw.edu NR 39 TC 189 Z9 190 U1 0 U2 5 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 20 PY 2006 VL 638 IS 2 BP 772 EP 785 DI 10.1086/498972 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 013RA UT WOS:000235425700018 ER PT J AU Fryer, CL Rockefeller, G Hungerford, A Melia, F AF Fryer, CL Rockefeller, G Hungerford, A Melia, F TI The Sgr B2 X-ray echo of the galactic center supernova explosion that produced Sgr A East SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; Galaxy : center; radiation mechanisms : nonthermal; stars : winds, outflows; supernova remnants; X-rays : diffuse background ID SAGITTARIUS-A-EAST; MOLECULAR CLOUDS; REMNANT; EMISSION; VIEW; GALAXY; EVOLUTION; ASTERISK; CHANDRA; MASERS AB Using a combination of one-dimensional and three-dimensional hydrodynamic simulations, we have carried out the first in- depth analysis of the remnant's evolution and its various interactions: with the stellar winds flowing out from the inner similar to 2 pc; with the supermassive black hole, SgrA*; and with the 50 kms(-1) molecular cloud behind and to the east of the nucleus. We have found that, unlike previous estimates, a rather ''standard'' supernova explosion with energy similar to 1: 5; 1051 ergs would have been sufficient to create the remnant we see today and that the latter is probably only similar to 1700 yr old. We have found that the passage of the remnant across the black hole would have enhanced the accretion rate onto the central object by less than a factor of 2. Such a small increase cannot explain the current Fe fluorescence observed from the molecular cloud Sgr B2; this fluorescence would have required an increase in the luminosity of Sgr A* by 6 orders of magnitude several hundred years ago. Instead, we have uncovered what appears to be a more plausible scenario for this transient irradiation: the interaction between the expanding remnant and the 50 km s(-1) molecular cloud. The first impact would have occurred about 1200 yr after the explosion, producing a 2 200 keV luminosity of similar to 10(39) ergs s(-1). During the intervening 300-400 yr, the dissipation of kinetic energy subsided considerably, leading to the much lower luminosity (similar to 10(36) ergs s(-1) at 2-10 keV) we see today. C1 Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Theoret Div, Los Alamos, NM USA. Los Alamos Natl Lab, Comp & Computat Sci Div, Los Alamos, NM 87545 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. RP Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RI Rockefeller, Gabriel/G-2920-2010 OI Rockefeller, Gabriel/0000-0002-9029-5097 NR 35 TC 20 Z9 20 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 20 PY 2006 VL 638 IS 2 BP 786 EP 796 DI 10.1086/498968 PN 1 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 013RA UT WOS:000235425700019 ER PT J AU Vaughan, S Goad, MR Beardmore, AP O'Brien, PT Osborne, JP Page, KL Barthelmy, SD Burrows, DN Campana, S Cannizzo, JK Capalbi, M Chincarini, G Cummings, JR Cusumano, G Giommi, P Godet, O Hill, JE Kobayashi, S Kumar, P La Parola, V Levan, A Mangano, V Meszaros, P Moretti, A Morris, DC Nousek, JA Pagani, C Palmer, DM Racusin, JL Romano, P Tagliaferri, G Zhang, B Gehrels, N AF Vaughan, S Goad, MR Beardmore, AP O'Brien, PT Osborne, JP Page, KL Barthelmy, SD Burrows, DN Campana, S Cannizzo, JK Capalbi, M Chincarini, G Cummings, JR Cusumano, G Giommi, P Godet, O Hill, JE Kobayashi, S Kumar, P La Parola, V Levan, A Mangano, V Meszaros, P Moretti, A Morris, DC Nousek, JA Pagani, C Palmer, DM Racusin, JL Romano, P Tagliaferri, G Zhang, B Gehrels, N TI Swift observations of the X-ray-bright GRB 050315 SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; X-rays : individual (GRB 050315) ID ALERT TELESCOPE BAT; BURST AFTERGLOWS; MIDEX MISSION; EMISSION; ENERGETICS; INJECTION; DISCOVERY; SPECTRA AB This paper discusses Swift observations of the mu-ray burst GRB 050315 (z 1: 949) from 80 s to 10 days after the onset of the burst. The X-ray light curve displayed a steep early decay (t(-5)) for similar to 200 s and several breaks. However, both the prompt hard X-ray/gamma-ray emission ( observed by the BAT) and the first similar to 300 s of X-ray emission ( observed by the XRT) can be explained by exponential decays, with similar decay constants. Extrapolating the BAT light curve into the XRT band suggests that the rapidly decaying, early X- ray emission was simply a continuation of the fading prompt emission; this strong similarity between the prompt gamma-ray and early X- ray emission may be related to the simple temporal and spectral character of this X- ray-rich GRB. The prompt ( BAT) spectrum was steep down to similar to 15 keV and appeared to continue through the XRT bandpass, implying a low peak energy, inconsistent with the Amati relation. Following the initial steep decline, the X- ray afterglow did not fade for similar to 1.2 x 10(4) s, after which time it decayed with a temporal index of alpha approximate to 0.7, followed by a second break at similar to 2.5 x 10(5) s to a slope of alpha similar to 2. The apparent "plateau'' in the X- ray light curve, after the early rapid decay, makes this one of the most extreme examples of the steep-flat-steep X- ray light curves revealed by Swift. If the second afterglow break is identified with a jet break, then the jet opening angle was theta(0) similar to 5 degrees, implying E gamma greater than or similar to 10(50) ergs. C1 Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. INAF, Osservatorio Astron Brera, I-23807 Merate, Italy. Univ Maryland Baltimore Cty, Joint Ctr Astrophys, Baltimore, MD 21250 USA. ASI Sci Data Ctr, I-00044 Frascati, Italy. Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. CNR, Washington, DC 20418 USA. INAF, Ist Astrofis Spaziale & Fis Cosm, Sez Palermo, I-90146 Palermo, Italy. Univ Space Res Assoc, Columbia, MD 21044 USA. Univ Texas, Dept Astron, Austin, TX 78712 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. RP Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. RI Gehrels, Neil/D-2971-2012; Barthelmy, Scott/D-2943-2012; Lujan Center, LANL/G-4896-2012; Racusin, Judith/D-2935-2012; OI La Parola, Valentina/0000-0002-8087-6488; Tagliaferri, Gianpiero/0000-0003-0121-0723; Campana, Sergio/0000-0001-6278-1576; giommi, paolo/0000-0002-2265-5003; Cusumano, Giancarlo/0000-0002-8151-1990; moretti, alberto/0000-0002-9770-0315 NR 55 TC 120 Z9 121 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 20 PY 2006 VL 638 IS 2 BP 920 EP 929 DI 10.1086/499069 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 013RA UT WOS:000235425700029 ER PT J AU Parks, BW Gilbertson, RD Hutchison, JE Healey, ER Weakley, TJR Rapko, BM Hay, BP Sinkov, SI Broker, GA Rogers, RD AF Parks, BW Gilbertson, RD Hutchison, JE Healey, ER Weakley, TJR Rapko, BM Hay, BP Sinkov, SI Broker, GA Rogers, RD TI Solution and structural investigations of ligand preorganization in trivalent lanthanide complexes of bicyclic malonamides SO INORGANIC CHEMISTRY LA English DT Article ID PHASE BINDING CONSTANTS; METAL-AMIDE COMPLEXES; NITRIC-ACID SOLUTION; MINOR ACTINIDES; DIAMEX PROCESS; SUBSTITUTED MALONAMIDES; ACYCLIC DIAMIDES; EXTRACTION; DESIGN; ION AB This report describes an investigation into the coordination chemistry of trivalent lanthanides in solution and the solid state with acyclic and preorganized bicyclic malonamide ligands. Two experimental investigations were performed: solution binding affinities were determined through single-phase spectrophotometric titrations and the extent of conformational change upon binding was investigated with single-crystal X-ray crystallography. Both experimental methods compare the bicyclic malonamide (BMA), which is designed to be preorganized for binding trivalent lanthanides, to an analogous acyclic malonamide. Results from the spectrophotometric titrations indicate that BMA exhibits a 10-100x increase in binding affinity to Ln(III) over acyclic malonamide. In addition, BMA forms compounds with high ligand-metal ratios, even when competing with water and nitrate ligands for binding sites. The crystal structures exhibit no significant differences in the nature of the binding between Ln(III) and the BMA or acyclic malonamide. These results support the conclusion that rational ligand design can lead to compounds that enhance the binding affinities within a ligand class. C1 Univ Oregon, Dept Chem, Xray Crystallog Lab, Eugene, OR 97403 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Alabama, Ctr Green Mfg, Tuscaloosa, AL 35487 USA. Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Hutchison, JE (reprint author), Univ Oregon, Dept Chem, Xray Crystallog Lab, Eugene, OR 97403 USA. EM hutch@uoregon.edu RI Rogers, Robin/C-8265-2013 OI Rogers, Robin/0000-0001-9843-7494 NR 42 TC 15 Z9 15 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD FEB 20 PY 2006 VL 45 IS 4 BP 1498 EP 1507 DI 10.1021/ic050437d PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 014LD UT WOS:000235480700019 PM 16471961 ER PT J AU Fujita, E Brunschwig, BS Creutz, C Muckerman, JT Sutin, N Szalda, D van Eldik, R AF Fujita, E Brunschwig, BS Creutz, C Muckerman, JT Sutin, N Szalda, D van Eldik, R TI Transition state characterization for the reversible binding of dihydrogen to bis(2,2 '-bipyridine)rhodium(I) from temperature- and pressure-dependent experimental and theoretical studies SO INORGANIC CHEMISTRY LA English DT Article ID EFFECTIVE CORE POTENTIALS; MOLECULAR CALCULATIONS; AQUEOUS-SOLUTIONS; METAL HYDRIDES; COMPLEXES; DENSITY; BOND; COORDINATION; HYDROGEN; IRIDIUM AB Thermodynamic and kinetic parameters for the oxidative addition of H-2 to [Rh-I(bpy)(2)](+) (bpy = 2,2'-bipyridine) to form [Rh-III(H)(2)(bpy)(2)](+) were determined from either the UV-vis spectrum of equilibrium mixtures of [Rh-I(bpy)(2)](+) and [Rh-III(H)(2)(bpy)(2)](+) or from the observed rates of dihydride formation following visible-light irradiation of solutions containing [Rh-III(H)(2)(bpy)(2)](+) as a function of H-2 concentration, temperature, and pressure in acetone and methanol. The activation enthalpy and entropy in methanol are 10.0 kcal mol(-1) and -18 cal mol(-1) K-1, respectively. The reaction enthalpy and entropy are -10.3 kcal mol(-1) and -19 cal mol(-1) K-1, respectively. Similar values were obtained in acetone. Surprisingly, the volumes of activation for dihydride formation (-15 and -16 cm(3) mol(-1) in methanol and acetone, respectively) are very close to the overall reaction volumes (-15 cm(3) mol(-1) in both solvents). Thus, the volumes of activation for the reverse reaction, elimination of dihydrogen from the dihydrido complex, are approximately zero. B3LYP hybrid DFT calculations of the transition-state complex in methanol and similar MP2 calculations in the gas phase suggest that the dihydrogen has a short H-H bond (0.823 and 0.810 angstrom, respectively) and forms only a weak Rh-H bond (1.866 and 1.915 angstrom, respectively). Equal partial molar volumes of the dihydrogenrhodium(I) transition state and dihydridorhodium(III) can account for the experimental volume profile found for the overall process. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Univ Erlangen Nurnberg, Inst Inorgan Chem, D-91058 Erlangen, Germany. RP Fujita, E (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM fujita@bnl.gov RI Brunschwig, Bruce/G-4249-2011; Fujita, Etsuko/D-8814-2013; Muckerman, James/D-8752-2013 NR 39 TC 17 Z9 17 U1 3 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD FEB 20 PY 2006 VL 45 IS 4 BP 1595 EP 1603 DI 10.1021/ic0515498 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 014LD UT WOS:000235480700029 PM 16471971 ER PT J AU Reilly, SD Neu, MP AF Reilly, SD Neu, MP TI Pu(VI) hydrolysis: Further evidence for a dimeric plutonyl hydroxide and contrasts with U(VI) chemistry SO INORGANIC CHEMISTRY LA English DT Article ID AQUEOUS-SOLUTION; PLUTONIUM(VI); SPECTROSCOPY; ENVIRONMENT; SPECIATION; ACTINIDES; REDUCTION; AGENTS; NP(VI); IONS AB A significant fraction of plutonium that is soluble in environmental waters and other aqueous solutions can be present as complexes of plutonyl, PuO22+. Few thermodynamic data are available for this ion, representing a problematic gap in plutonium chemistry and in the forecasting of radionuclide behavior under contamination and nuclear repository conditions. To address this need and more accurately determine the stoichiometry and stability of the basic hydrolytic products, we completed complimentary potentiometric and spectrophotometric studies of plutonium(VI) hydrolysis over the concentration range of 10(-2) to 10(-5) M Pu(VI). Dinuclear hydroxide species (PuO2)(2)(OH)(2)(2+) and (PuO2)(2)(OH)(4)(0)(aq) with hydrolysis constants log *beta(2,2) = -7.79 +/- 0.20 and log *beta(4,2) = -19.3 +/- 0.5 are indicated in all experiments of millimolar Pu(VI), 0.10 M NaNO3 solutions at 25 degrees C. At lower Pu(VI) concentrations, at and below 10(-4) M, the monomeric species PuO2OH+ and PuO2(OH)(2)(0)(aq) form with hydrolysis constants of log *beta(1,1) = -5.76 +/- 0.07 and log *beta(2,1) = -11.69 +/- 0.05, respectively. Distinct optical absorbance bands at 842 and 845 nm are reported for the mononuclear and dinuclear first hydrolysis species. Standard hydrolysis constants at zero ionic strength were calculated from the experimentally determined constants using the specific ion interaction theory. The Pu(VI) hydrolysis species and constants are compared with results from previous studies for plutonium and uranium. Major differences between uranyl and plutonyl hydrolysis are described. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Neu, MP (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM mneu@lanl.gov NR 24 TC 33 Z9 33 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD FEB 20 PY 2006 VL 45 IS 4 BP 1839 EP 1846 DI 10.1021/ic051760j PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 014LD UT WOS:000235480700059 PM 16472001 ER PT J AU Srebrny, J Czosnyka, T Droste, C Rohozinski, SG Prochniak, L Zajac, K Pomorski, K Cline, D Wu, CY Backlin, A Hasselgren, L Diamond, RM Habs, D Korner, HJ Stephens, FS Baktash, C Kostecki, RP AF Srebrny, J Czosnyka, T Droste, C Rohozinski, SG Prochniak, L Zajac, K Pomorski, K Cline, D Wu, CY Backlin, A Hasselgren, L Diamond, RM Habs, D Korner, HJ Stephens, FS Baktash, C Kostecki, RP TI Experimental and theoretical investigations of quadrupole collective degrees of freedom in Ru-104 SO NUCLEAR PHYSICS A LA English DT Article DE nuclear reactions (RU)-R-104(Pb-208, Pb-208'), E=954 MeV; Ru-104(Xe-136, Xe-136'), E=525 MeV; Ru-104(Ni-58, Ni-58'), E=165 MeV, 190 MeV; measured E gamma, I gamma, (particle) gamma-coin following Coulomb excitation.; Ru-104 deduced levels, J, pi, E2 and M1 matrix elements, quadrupole collectivity. Comparison with model; predictions. ID INTERACTING BOSON MODEL; COULOMB-EXCITATION; NUCLEI; STATES; ISOTOPES; SHAPES; DEFORMATIONS; MOMENTS; REGION AB The magnitudes and signs of twenty eight E2 and three M1 matrix elements involving 17 low-lying excited states in Ru-104 have been measured by Coulomb excitation using Pb-208, Xe-136 and Ni-58 ions. The completeness of the set of E2 matrix elements is sufficient to extract, directly from the data, the expectation values of the intrinsic-frame E2 moments that provide considerable insight into the underlying collectivity. The measured E2 properties strongly correlate with macroscopic quadrupole collective degrees of freedom. Detailed comparison of the experimental results and theoretical microscopic calculations within the general quadrupole collective Bohr Hamiltonian are presented. Very good agreement of calculations and experiment is achieved without any parameters fitted to the Ru-104 experimental data. Results of phenomenological gamma-unstable and gamma-rigid models are also given. (c) 2005 Elsevier B.V. All rights reserved. C1 Warsaw Univ, Fac Phys, PL-00681 Warsaw, Poland. Warsaw Univ, Heavy Ion Lab, PL-02093 Warsaw, Poland. Marie Curie Sklodowska Univ, Inst Phys, PL-20031 Lublin, Poland. Univ Rochester, Nucl Struct Res Lab, Rochester, NY 14627 USA. Uppsala Univ, Svedberg Lab, Dept Radiat Sci, S-75121 Uppsala, Sweden. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Munich, D-8046 Garching, Germany. Tech Univ Munich, D-8046 Garching, Germany. HRIBF, Oak Ridge, TN 37831 USA. RP Srebrny, J (reprint author), Warsaw Univ, Fac Phys, PL-00681 Warsaw, Poland. EM js@npdaxp.fuw.edu.pl RI Prochniak, Leszek/B-6943-2013 OI Prochniak, Leszek/0000-0002-6577-6438 NR 27 TC 31 Z9 32 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD FEB 20 PY 2006 VL 766 BP 25 EP 51 DI 10.1016/j.nuclphysa.2005.11.013 PG 27 WC Physics, Nuclear SC Physics GA 009QG UT WOS:000235126600002 ER PT J AU Osipenko, M Melnitchouk, W Simula, S Kulagin, S Ricco, G AF Osipenko, M Melnitchouk, W Simula, S Kulagin, S Ricco, G TI Leading twist moments of the neutron structure function F-2(n) SO NUCLEAR PHYSICS A LA English DT Article ID DEEP-INELASTIC-SCATTERING; BOSON-EXCHANGE MODEL; NUCLEON NUCLEON-INTERACTION; GOTTFRIED SUM-RULE; PARTON DISTRIBUTIONS; DELTA-I; QUANTUM CHROMODYNAMICS; ELECTRON-SCATTERING; DEUTERON SCATTERING; LIGHT-FRONT AB We perform a global analysis of neutron F-2 '' structure function data, obtained by combining proton and deuteron measurements over a large range of kinematics. From these data the lowest moments (n <= 10) of the leading twist neutron F-2 '' structure function are extracted. Particular attention is paid to nuclear effects in the deuteron, which become increasingly important for the higher moments. Our results for the nons-inglet. isovector p-n combination of the leading twist moments are used to test recent lattice simulations. We also determine the lowest few moments of the higher twist contributions, and find these to be approximately isospin-independent, suggesting the possible dominance of ud correlations over uu and dd in the nucleon. (c) 2005 Elsevier B.V. All rights reserved. C1 Ist Nazl Fis Nucl, Sez Roma 3, I-0146 Rome, Italy. Ist Nazl Fis Nucl, I-6146 Genoa, Italy. Skobletsyn Inst Nucl Phys, Moscow 119992, Russia. Jefferson Lab, Newport News, VA 23606 USA. Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. RP Ist Nazl Fis Nucl, Sez Roma 3, I-0146 Rome, Italy. EM simula@roma3.infn.it RI Osipenko, Mikhail/N-8292-2015 OI Osipenko, Mikhail/0000-0001-9618-3013 NR 84 TC 12 Z9 12 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD FEB 20 PY 2006 VL 766 BP 142 EP 171 DI 10.1016/j.nuclphysa.2005.11.018 PG 30 WC Physics, Nuclear SC Physics GA 009QG UT WOS:000235126600008 ER PT J AU Hill, HW Flower, BP Quinn, TM Hollander, DJ Guilderson, TP AF Hill, HW Flower, BP Quinn, TM Hollander, DJ Guilderson, TP TI Laurentide Ice Sheet meltwater and abrupt climate change during the last glaciation SO PALEOCEANOGRAPHY LA English DT Article ID NORTH-ATLANTIC; PLANKTONIC-FORAMINIFERA; ISOTOPIC COMPOSITION; OCEAN CIRCULATION; GREENLAND; SCALE; WATER; PRECIPITATION; TEMPERATURE; KA AB [1] A leading hypothesis to explain abrupt climate change during the last glacial cycle calls on fluctuations in the margin of the North American Laurentide Ice Sheet ( LIS), which may have routed fresh water between the Gulf of Mexico (GOM) and the North Atlantic, affecting North Atlantic Deep Water variability and regional climate. Paired measurements of delta O-18 and Mg/Ca of foraminiferal calcite from GOM sediments reveal five episodes of LIS meltwater input from 28 to 45 thousand years ago (ka) that do not match the millennial-scale Dansgaard-Oeschger warmings recorded in Greenland ice. We suggest that summer melting of the LIS may occur during Antarctic warming and likely contributed to sea level variability during marine isotope stage 3. C1 Univ S Florida, Coll Marine Sci, St Petersburg, FL 33701 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA. RP Hill, HW (reprint author), Univ S Florida, Coll Marine Sci, 140 7th Ave S, St Petersburg, FL 33701 USA. EM hhill@marine.usf.edu; bflower@marine.usf.edu RI Quinn, Terrence/A-5755-2008 NR 45 TC 17 Z9 17 U1 1 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0883-8305 J9 PALEOCEANOGRAPHY JI Paleoceanography PD FEB 18 PY 2006 VL 21 IS 1 AR PA1006 DI 10.1029/2005PA001186 PG 9 WC Geosciences, Multidisciplinary; Oceanography; Paleontology SC Geology; Oceanography; Paleontology GA 017EY UT WOS:000235678100001 ER PT J AU Nilsson, J Lee, JRI Ratto, TV Letant, SE AF Nilsson, J Lee, JRI Ratto, TV Letant, SE TI Localized functionalization of single nanopores SO ADVANCED MATERIALS LA English DT Article ID BEAM INSULATOR DEPOSITION; FABRICATED NANOPORES; DNA; MOLECULES; CHANNELS AB Chemical functionality is localized at the entrance of single nanopores using the controlled growth of an oxide ring. Nanopores fabricated by focused-ion-beam machining on silicon platforms (see Figure and Cover) are locally functionalized by ion-beam-assisted oxide deposition followed by immobilization of DNA probes via silane chemistry. Ion-current measurements are used to demonstrate nanopore functionalization. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Letant, SE (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. EM letant1@llnl.gov NR 20 TC 71 Z9 72 U1 1 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD FEB 17 PY 2006 VL 18 IS 4 BP 427 EP + DI 10.1002/adma.200501991 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 017JF UT WOS:000235689200006 ER PT J AU Yi, W Wu, XL Lee, TH Doggett, NA Her, CT AF Yi, W Wu, XL Lee, TH Doggett, NA Her, CT TI Two variants of MutS homolog hMSH5: Prevalence in humans and effects on protein interaction (vol 332, pg 524, 2005) SO BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS LA English DT Correction C1 Washington State Univ, Sch Mol Biosci, Pullman, WA 99164 USA. Washington State Univ, Ctr Reprod Biol, Pullman, WA 99164 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Her, CT (reprint author), Washington State Univ, Sch Mol Biosci, Post Box 644660, Pullman, WA 99164 USA. EM cher@wsu.edu NR 1 TC 1 Z9 1 U1 0 U2 0 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0006-291X J9 BIOCHEM BIOPH RES CO JI Biochem. Biophys. Res. Commun. PD FEB 17 PY 2006 VL 340 IS 3 BP 1018 EP 1018 DI 10.1016/j.bbrc.2005.12.075 PG 1 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 009DR UT WOS:000235092000038 ER PT J AU Chen, YP Lopez, E Havlin, S Stanley, HE AF Chen, YP Lopez, E Havlin, S Stanley, HE TI Universal behavior of optimal paths in weighted networks with general disorder SO PHYSICAL REVIEW LETTERS LA English DT Article AB We study the statistics of the optimal path in both random and scale-free networks, where weights w are taken from a general distribution P(w). We find that different types of disorder lead to the same universal behavior. Specifically, we find that a single parameter (S equivalent to AL(-1/nu) for d-dimensional lattices, and S equivalent to AN(-1/3) for random networks) determines the distributions of the optimal path length, including both strong and weak disorder regimes. Here nu is the percolation connectivity exponent, and A depends on the percolation threshold and P(w). We show that for a uniform P(w), Poisson or Gaussian, the crossover from weak to strong does not occur, and only weak disorder exists. C1 Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Bar Ilan Univ, Dept Phys, Minerva Ctr, Ramat Gan, Israel. RP Chen, YP (reprint author), Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA. OI Stanley, H./0000-0003-2800-4495 NR 13 TC 24 Z9 24 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 068702 DI 10.1103/PhysRevLett.96.068702 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100092 PM 16606056 ER PT J AU Daligault, J AF Daligault, J TI Liquid-state properties of a one-component plasma SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSPORT-COEFFICIENTS; COLLECTIVE MODES; SELF-DIFFUSION; METALS; VISCOSITY; MATTER; LAW AB As a consequence of strong collective behavior, the microscopic dynamics of the one-component plasma (OCP) differs significantly from that of ordinary liquids. We show that, when particle caging dominates, the OCP transport coefficients nevertheless satisfy universal laws satisfied by dense ordinary fluids: the Stokes-Einstein relation, the Arrhenius law of viscosity, and several excess-entropy scaling relations. These results extend to long-range interaction potentials, the unifying description of atomic transport in condensed matter. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Daligault, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM daligault@lanl.gov NR 19 TC 63 Z9 63 U1 1 U2 17 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 065003 DI 10.1103/PhysRevLett.96.065003 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100038 PM 16606003 ER PT J AU Dugger, M Ball, JP Collins, P Pasyuk, E Ritchie, BG Adams, G Ambrozewicz, P Anciant, E Anghinolfi, M Asavapibhop, B Asryan, G Audit, G Avakian, H Bagdasaryan, H Baillie, N Baltzell, NA Barrow, S Batourine, V Battaglieri, M Beard, K Bedlinskiy, I Bektasoglu, M Bellis, M Benmouna, N Berman, BL Bianchi, N Biselli, AS Bonner, BE Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Carnahan, B Chen, S Cole, PL Coleman, A Coltharp, P Cords, D Corvisiero, P Crabb, D Crannell, H Cummings, JP De Sanctis, E DeVita, R Degtyarenko, PV Denizli, H Dennis, L Deur, A Dharmawardane, KV Dhuga, KS Djalali, C Dodge, GE Donnelly, J Doughty, D Dragovitsch, P Dytman, S Dzyubak, OP Egiyan, H Egiyan, KS Elouadrhiri, L Empl, A Eugenio, P Fatemi, R Fedotov, G Feldman, G Feuerbach, RJ Forest, TA Funsten, H Garcon, M Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gothe, RW Griffioen, KA Guidal, M Guillo, M Guler, N Guo, L Gyurjyan, V Hadjidakis, C Hakobyan, RS Hardie, J Heddle, D Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hu, J Huertas, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Ito, MM Jenkins, D Jo, HS Joo, K Juengst, HG Kellie, JD Khandaker, M Kim, KY Kim, K Kim, W Klein, A Klein, FJ Klimenko, AV Klusman, M Kossov, M Kramer, LH Kubarovsky, V Kuhn, J Kuhn, SE Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Lima, ACS Livingston, K Lukashin, K Manak, JJ Marchand, C Maximon, LC McAleer, S McKinnon, B McNabb, JWC Mecking, BA Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mokeev, V Morrow, SA Muccifora, V Mueller, J Mutchler, GS Nadel-Turonski, P Napolitano, J Nasseripour, R Niccolai, S Niculescu, G Niczyporuk, BB Niyazov, RA Nozar, M O'Rielly, GV Osipenko, M Ostrovidov, AI Park, K Paterson, C Philips, SA Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Preedom, BM Price, JW Prok, Y Protopopescu, D Qin, LM Raue, BA Riccardi, G Ricco, G Ripani, M Ronchetti, F Rosner, G Rossi, P Rowntree, D Rubin, PD Sabatie, F Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Shafi, A Sharabian, YG Shaw, J Simionatto, S Skabelin, AV Smith, ES Smith, LC Sober, DI Spraker, M Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Stoler, P Strakovsky, II Strauch, S Taiuti, M Taylor, S Tedeschi, DJ Thoma, U Thompson, R Tkabladze, A Tkachenko, S Tur, C Ungaro, M Vineyard, MF Vlassov, AV Wang, K Weinstein, LB Weller, H Weygand, DP Williams, M Wolin, E Wood, MH Yegneswaran, A Yun, J Zana, L Zhang, J AF Dugger, M Ball, JP Collins, P Pasyuk, E Ritchie, BG Adams, G Ambrozewicz, P Anciant, E Anghinolfi, M Asavapibhop, B Asryan, G Audit, G Avakian, H Bagdasaryan, H Baillie, N Baltzell, NA Barrow, S Batourine, V Battaglieri, M Beard, K Bedlinskiy, I Bektasoglu, M Bellis, M Benmouna, N Berman, BL Bianchi, N Biselli, AS Bonner, BE Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Carnahan, B Chen, S Cole, PL Coleman, A Coltharp, P Cords, D Corvisiero, P Crabb, D Crannell, H Cummings, JP De Sanctis, E DeVita, R Degtyarenko, PV Denizli, H Dennis, L Deur, A Dharmawardane, KV Dhuga, KS Djalali, C Dodge, GE Donnelly, J Doughty, D Dragovitsch, P Dytman, S Dzyubak, OP Egiyan, H Egiyan, KS Elouadrhiri, L Empl, A Eugenio, P Fatemi, R Fedotov, G Feldman, G Feuerbach, RJ Forest, TA Funsten, H Garcon, M Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gothe, RW Griffioen, KA Guidal, M Guillo, M Guler, N Guo, L Gyurjyan, V Hadjidakis, C Hakobyan, RS Hardie, J Heddle, D Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hu, J Huertas, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Ito, MM Jenkins, D Jo, HS Joo, K Juengst, HG Kellie, JD Khandaker, M Kim, KY Kim, K Kim, W Klein, A Klein, FJ Klimenko, AV Klusman, M Kossov, M Kramer, LH Kubarovsky, V Kuhn, J Kuhn, SE Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Lima, ACS Livingston, K Lukashin, K Manak, JJ Marchand, C Maximon, LC McAleer, S McKinnon, B McNabb, JWC Mecking, BA Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mokeev, V Morrow, SA Muccifora, V Mueller, J Mutchler, GS Nadel-Turonski, P Napolitano, J Nasseripour, R Niccolai, S Niculescu, G Niczyporuk, BB Niyazov, RA Nozar, M O'Rielly, GV Osipenko, M Ostrovidov, AI Park, K Paterson, C Philips, SA Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Preedom, BM Price, JW Prok, Y Protopopescu, D Qin, LM Raue, BA Riccardi, G Ricco, G Ripani, M Ronchetti, F Rosner, G Rossi, P Rowntree, D Rubin, PD Sabatie, F Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Shafi, A Sharabian, YG Shaw, J Simionatto, S Skabelin, AV Smith, ES Smith, LC Sober, DI Spraker, M Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Stoler, P Strakovsky, II Strauch, S Taiuti, M Taylor, S Tedeschi, DJ Thoma, U Thompson, R Tkabladze, A Tkachenko, S Tur, C Ungaro, M Vineyard, MF Vlassov, AV Wang, K Weinstein, LB Weller, H Weygand, DP Williams, M Wolin, E Wood, MH Yegneswaran, A Yun, J Zana, L Zhang, J CA CLAS Collaborat TI eta ' photoproduction on the proton for photon energies from 1.527 to 2.227 GeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID SCATTERING; MESONS; SPIN AB Differential cross sections for the reaction gamma p ->eta(')p have been measured with the CLAS spectrometer and a tagged photon beam with energies from 1.527 to 2.227 GeV. The results reported here possess much greater accuracy than previous measurements. Analyses of these data suggest for the first time the coupling of the eta N-' channel to both the S-11(1535) and P-11(1710) resonances, known to couple strongly to the eta N channel in photoproduction on the proton, and the importance of J=3/2 resonances in the process. C1 Arizona State Univ, Tempe, AZ 85287 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Calif State Univ Dominguez Hills, Carson, CA 90747 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Catholic Univ Amer, Washington, DC 20064 USA. CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. Christopher Newport Univ, Newport News, VA 23606 USA. Univ Connecticut, Storrs, CT 06269 USA. Duke Univ, Durham, NC 27708 USA. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Florida Int Univ, Miami, FL 33199 USA. Florida State Univ, Tallahassee, FL 32306 USA. George Washington Univ, Washington, DC 20052 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Univ Giessen, Inst Phys, D-35392 Giessen, Germany. Idaho State Univ, Pocatello, ID 83209 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. Inst Phys Nucl, F-91406 Orsay, France. Inst Theoret & Expt Phys, Moscow 117259, Russia. James Madison Univ, Harrisonburg, VA 22807 USA. Kyungpook Natl Univ, Taegu 702701, South Korea. MIT, Cambridge, MA 02139 USA. Univ Massachusetts, Amherst, MA 01003 USA. Moscow MV Lomonosov State Univ, Gen Nucl Phys Inst, Moscow 119899, Russia. Univ New Hampshire, Durham, NH 03824 USA. Norfolk State Univ, Norfolk, VA 23504 USA. Ohio Univ, Athens, OH 45701 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Rensselaer Polytech Inst, Troy, NY 12180 USA. Rice Univ, Houston, TX 77005 USA. Univ Richmond, Richmond, VA 23173 USA. Univ S Carolina, Columbia, SC 29208 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Union Coll, Schenectady, NY 12308 USA. Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. Univ Virginia, Charlottesville, VA 22901 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Arizona State Univ, Tempe, AZ 85287 USA. RI Ireland, David/E-8618-2010; Schumacher, Reinhard/K-6455-2013; Bektasoglu, Mehmet/A-2074-2012; Protopopescu, Dan/D-5645-2012; riccardi, gabriele/A-9269-2012; Zana, Lorenzo/H-3032-2012; Meyer, Curtis/L-3488-2014; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; Ishkhanov, Boris/E-1431-2012; Brooks, William/C-8636-2013 OI Ireland, David/0000-0001-7713-7011; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; RIPANI, Maurizio/0000-0003-4450-8511; Brooks, William/0000-0001-6161-3570 NR 19 TC 54 Z9 54 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 062001 DI 10.1103/PhysRevLett.96.062001 PG 6 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100019 PM 16605984 ER PT J AU Guslienko, KY Han, XF Keavney, DJ Divan, R Bader, SD AF Guslienko, KY Han, XF Keavney, DJ Divan, R Bader, SD TI Magnetic vortex core dynamics in cylindrical ferromagnetic dots SO PHYSICAL REVIEW LETTERS LA English DT Article ID STATE; PERMALLOY; DISKS AB We report direct imaging by means of x-ray photoemission electron microscopy of the dynamics of magnetic vortices confined in micron-sized circular permalloy dots that are 30 nm thick. The vortex core positions oscillate on a 10 ns time scale in a self-induced magnetostatic potential well after the in-plane magnetic field is turned off. The measured oscillation frequencies as a function of the aspect ratio of the dots are in agreement with theoretical calculations presented for the same geometry. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Guslienko, KY (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gusliyenko@anl.gov RI Bader, Samuel/A-2995-2013 NR 25 TC 149 Z9 149 U1 0 U2 41 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 067205 DI 10.1103/PhysRevLett.96.067205 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100077 PM 16606041 ER PT J AU Martins, GB Busser, CA Al-Hassanieh, KA Anda, EV Moreo, A Dagotto, E AF Martins, GB Busser, CA Al-Hassanieh, KA Anda, EV Moreo, A Dagotto, E TI Transport properties of strongly correlated electrons in quantum dots studied with a simple circuit model SO PHYSICAL REVIEW LETTERS LA English DT Article ID SYSTEM AB Numerical calculations are shown to reproduce the main results of recent experiments involving nonlocal spin control in quantum dots [Craig , Science 304, 565 (2004).]. In particular, the experimentally reported zero-bias-peak splitting is clearly observed in our studies. To understand these results, a simple "circuit model" is introduced and shown to qualitatively describe the experiments. The main idea is that the splitting originates in a Fano antiresonance, which is caused by having one quantum dot side connected in relation to the current's path. This scenario provides an explanation of the results of Craig et al. that is an alternative to the RKKY proposal, also addressed here. C1 Oakland Univ, Dept Phys, Rochester, MI 48309 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32306 USA. Pontificia Univ Catolica Rio de Janeiro, Dept Fis, BR-22453900 Rio De Janeiro, Brazil. RP Martins, GB (reprint author), Oakland Univ, Dept Phys, Rochester, MI 48309 USA. RI Busser, Carlos/K-1017-2014; Martins, George/C-9756-2012 OI Busser, Carlos/0000-0002-0353-7490; Martins, George/0000-0001-7846-708X NR 12 TC 27 Z9 27 U1 1 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 066802 DI 10.1103/PhysRevLett.96.066802 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100064 PM 16606028 ER PT J AU McElroy, K Gweon, GH Zhou, SY Graf, J Uchida, S Eisaki, H Takagi, H Sasagawa, T Lee, DH Lanzara, A AF McElroy, K Gweon, GH Zhou, SY Graf, J Uchida, S Eisaki, H Takagi, H Sasagawa, T Lee, DH Lanzara, A TI Elastic scattering susceptibility of the high temperature superconductor Bi2Sr2CaCu2O8+delta: A comparison between real and momentum space photoemission spectroscopies SO PHYSICAL REVIEW LETTERS LA English DT Article ID VORTEX CORES AB The joint density of states of Bi2Sr2CaCu2O8+delta is calculated by evaluating the autocorrelation of the single particle spectral function A((k) over right arrow,omega) measured from angle resolved photoemission spectroscopy (ARPES). These results are compared with Fourier transformed (FT) conductance modulations measured by scanning tunneling microscopy (STM). Good agreement between the two experimental probes is found for two different doping values examined. In addition, by comparing the FT-STM results to the autocorrelated ARPES spectra with different photon polarization, new insight on the form of the STM matrix elements is obtained. This shines new light on unsolved mysteries in the tunneling data. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Tokyo, Dept Phys, Tokyo 1138656, Japan. AIST, Tsukuba, Ibaraki 3058568, Japan. Univ Tokyo, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan. RIKEN, Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. RP McElroy, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Zhou, Shuyun/A-5750-2009; Takagi, Hidenori/B-2935-2010; mcelroy, kyle/D-1816-2013; Sasagawa, Takao/E-6666-2014 OI Sasagawa, Takao/0000-0003-0149-6696 NR 19 TC 34 Z9 34 U1 0 U2 5 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 067005 DI 10.1103/PhysRevLett.96.067005 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100072 PM 16606036 ER PT J AU Reed, EJ Soljaci, M Joannopoulos, JD AF Reed, EJ Soljaci, M Joannopoulos, JD TI Comment on "Explanation of the inverse doppler effect observed in nonlinear transmission lines" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. MIT, Cambridge, MA 02139 USA. RP Reed, EJ (reprint author), Lawrence Livermore Natl Lab, POB 5508, Livermore, CA 94551 USA. NR 5 TC 2 Z9 2 U1 1 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 069402 DI 10.1103/PhysRevLett.96.069402 PG 1 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100094 PM 16606058 ER PT J AU Romatschke, P Venugopalan, R AF Romatschke, P Venugopalan, R TI Collective non-Abelian instabilities in a melting color glass condensate SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; NUCLEUS-NUCLEUS COLLISIONS; BOTTOM-UP THERMALIZATION; QCD; COLLABORATION; EQUILIBRATION; PERSPECTIVE; MODEL AB We present first results for (3+1)D simulations of SU(2) Yang-Mills equations for matter expanding into the vacuum after a heavy ion collision. Violations of boost invariance cause a non-Abelian Weibel instability leading soft modes to grow with proper time tau as exp(Gamma root g(2)mu tau), where g(2)mu is a scale arising from the saturation of gluons in the nuclear wave function. The scale for the growth rate Gamma is set by a plasmon mass, defined as omega(pl)=kappa(0)root g(2)mu/tau, generated dynamically in the collision. We compare the numerical ratio Gamma/kappa(0) to the corresponding value predicted by the hard thermal loop formalism for anisotropic plasmas. C1 Univ Bielefeld, Fak Phys, D-33615 Bielefeld, Germany. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Romatschke, P (reprint author), Univ Bielefeld, Fak Phys, D-33615 Bielefeld, Germany. NR 46 TC 172 Z9 172 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 062302 DI 10.1103/PhysRevLett.96.062302 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100021 PM 16605986 ER PT J AU Wang, F Cheever, D Farkhondeh, M Franklin, W Ihloff, E van der Laan, J McAllister, B Milner, R Tschalaer, C Wang, D Wang, DF Zolfaghari, A Zwart, T Carr, GL Podobedov, B Sannibale, F AF Wang, F Cheever, D Farkhondeh, M Franklin, W Ihloff, E van der Laan, J McAllister, B Milner, R Tschalaer, C Wang, D Wang, DF Zolfaghari, A Zwart, T Carr, GL Podobedov, B Sannibale, F TI Coherent THz synchrotron radiation from a storage ring with high-frequency RF system SO PHYSICAL REVIEW LETTERS LA English DT Article AB The generation of brilliant, stable, and broadband coherent synchrotron radiation (CSR) in electron storage rings depends strongly on ring rf system properties such as frequency and gap voltage. We have observed intense coherent radiation at frequencies approaching the THz regime produced by the MIT-Bates South Hall Ring, which employs a high-frequency S-band rf system. The measured CSR spectral intensity enhancement with 2 mA stored current was up to 10 000 times above background for wave numbers near 3 cm(-1). The measurements also uncovered strong beam instabilities that must be suppressed if such a very high rf frequency electron storage ring is to become a viable coherent THz source. C1 MIT, Bates Linear Accelerator Ctr, Middleton, MA 01949 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wang, F (reprint author), MIT, Bates Linear Accelerator Ctr, Middleton, MA 01949 USA. NR 12 TC 17 Z9 18 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 064801 DI 10.1103/PhysRevLett.96.064801 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100035 PM 16606000 ER PT J AU Zhang, JD Ismail Moore, RG Wang, SC Ding, H Jin, R Mandrus, D Plummer, EW AF Zhang, JD Ismail Moore, RG Wang, SC Ding, H Jin, R Mandrus, D Plummer, EW TI Dopant-induced nanoscale electronic inhomogeneities in Ca2-xSrxRuO4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOTT TRANSITION; BI2SR2CACU2O8+DELTA; SUPERCONDUCTIVITY; DISORDER; SR2RUO4; SURFACE; STATES; CA2-XSR(X)RUO4; MANGANITES; DENSITY AB Ca2-xSrxRuO4 single crystals with 0.1 <= x <= 2.0 have been studied systematically using scanning tunneling microscopy (STM) and spectroscopy, low-energy electron diffraction, and angle resolved photoelectron spectroscopy (ARPES). In contrast with the well-ordered lattice structure, the local density of states at the surface clearly shows a strong doping dependent nanoscale electronic inhomogeneity, regardless of the fact of isovalent substitution. Remarkably, the surface electronic roughness measured by STM and the inverse spectral weight of quasiparticle states determined by ARPES are found to vary with x in the same manner as the bulk in-plane residual resistivity, following the Nordheim rule. For the first time, the surface measurements-especially those with STM-are shown to be in good agreement with the bulk transport results, all clearly indicating a doping-induced electronic disorder in the system. C1 Florida Int Univ, Dept Phys, Miami, FL 33199 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Zhang, JD (reprint author), Florida Int Univ, Dept Phys, Miami, FL 33199 USA. RI Wang, Shancai/F-6162-2013; Mandrus, David/H-3090-2014 NR 36 TC 10 Z9 10 U1 2 U2 23 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 17 PY 2006 VL 96 IS 6 AR 066401 DI 10.1103/PhysRevLett.96.066401 PG 4 WC Physics, Multidisciplinary SC Physics GA 013FB UT WOS:000235394100055 PM 16615176 ER PT J AU Roughgarden, J Oishi, M Akcay, E AF Roughgarden, J Oishi, M Akcay, E TI Reproductive social behavior: Cooperative games to replace sexual selection SO SCIENCE LA English DT Review ID EQUILIBRIUM SELECTION; BIOLOGICAL MARKETS; HYBRID SYSTEMS; MODEL; SOCIETIES; EVOLUTION AB Theories about sexual selection can be traced back to Darwin in 1871. He proposed that mates fertilize as many females as possible with inexpensive sperm, whereas females, with a limited supply of large eggs, select the genetically highest quality mates to endow their offspring with superior capabilities. Since its proposal, problems with this narrative have continued to accumulate, and it is our view that sexual selection theory needs to be replaced. We suggest an approach that relies on the exchange of direct ecological benefits among cooperating animals without reference to genetic benefits. This approach can be expressed mathematically in a branch of game theory that pertains to bargaining and side payments. C1 Stanford Univ, Dept Biol Sci, Stanford, CA 94305 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Roughgarden, J (reprint author), Stanford Univ, Dept Biol Sci, Stanford, CA 94305 USA. EM joan.roughgarden@stanford.edu RI Akcay, Erol/G-3167-2011 OI Akcay, Erol/0000-0001-8149-7124 NR 37 TC 70 Z9 74 U1 4 U2 93 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD FEB 17 PY 2006 VL 311 IS 5763 BP 965 EP 969 DI 10.1126/science.1110105 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 014CS UT WOS:000235456900035 PM 16484485 ER PT J AU Liu, GK Jensen, MP Almond, PM AF Liu, GK Jensen, MP Almond, PM TI Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ELECTRON TRANSFER SPECTRA; SYNERGISTIC MIXTURES; MOLECULAR-STRUCTURE; 2,2'-BIPYRIDINE; CRYSTAL; PHOTOLUMINESCENCE; URANIUM(III); LUMINESCENCE; MECHANISM; PHOSPHORS AB The systematic behavior of the charge-transfer (CT) energies in mixed 2,2'-bipyridyl (bipy), N,N-diethyldithiocarbamate (Et(2)dtc(-)) complexes of the trivalent lanthanides, Ln(Et(2)dtc)(3)(bipy), is investigated to understand the electronic structure of f-element complexes containing soft donor ligands. The energies of ligand to Ln(3+) CT are extremely low in this system, an effect attributed to the presence of the soft donor ligands. The lowest CT energy level for the Sm3+, Eu3+, and Yb3+ complexes falls into the visible range. In Eu(Et(2)dtc)(bipy), the Eu3+ ion becomes nonluminescent because the CT energy stretches below the metastable D-5(0) electronic state, whereas luminescence from the CT state and the 4f(13) F-2(5/2) state are observed in the Yb compound. The variation in the energy of the lowest level CT transition for the entire Ln(Et(2)dtc)(3)(bipy) series has been evaluated using the experimentally determined CT levels of the Sm3+, Eu3+, and Yb3+ compounds based on the systematic behavior of the lanthanides, which is invariant with respect to the type of ligand. The energy difference between the ground electronic states of the lanthanide ions and the ligand-centered valence band may also be calculated from these results. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Notre Dame, Dept Civil Engn & Geosci, South Bend, IN 46556 USA. RP Liu, GK (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM gkliu@anl.gov RI Jensen, Mark/G-9131-2012 OI Jensen, Mark/0000-0003-4494-6693 NR 44 TC 29 Z9 30 U1 2 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 16 PY 2006 VL 110 IS 6 BP 2081 EP 2088 DI 10.1021/jp0558674 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012XB UT WOS:000235373100001 PM 16466241 ER PT J AU Wilson, KR Jimenez-Cruz, M Nicolas, C Belau, L Leone, SR Ahmed, M AF Wilson, KR Jimenez-Cruz, M Nicolas, C Belau, L Leone, SR Ahmed, M TI Thermal vaporization of biological nanoparticles: fragment-free vacuum ultraviolet photoionization mass spectra of tryptophan, phenylalanine-glycine-glycine, and, beta-carotene SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PARTICLE-BEAM COLLIMATION; AMINO-ACID TRYPTOPHAN; LENS-NOZZLE SYSTEM; MULTIPHOTON IONIZATION; NUMERICAL CHARACTERIZATION; LASER VAPORIZATION; INTERNAL ENERGY; GAS-PHASE; SPECTROMETRY; MOLECULES AB A simple, new way to introduce fragile biomolecules into the gas phase via thermal vaporization of nanoparticles is described. The general utility of this technique for the study of biomolecules is demonstrated by coupling this source to tunable synchrotron vacuum ultraviolet radiation. Fragment-free photoionization mass spectra of tryptophan, phenylalanine-glycine-glycine, and beta-carotene are detected with signal-to-noise ratios exceeding 100. The 8.0 eV photoionization mass spectrum of tryptophan nanoparticles vaporized at 373 K is dominated by a single parent ion peak that exhibits a 20-fold enhancement over the methylene indole fragment ion. The degree of dissociative photoionization of tryptophan can be precisely controlled either by the thermal energy imparted into the neutral tryptophan molecule or by the energy of the ionizing photon. The results reveal how similar to 0.5 eV changes in internal energy affect both the photoionization mass spectrum of tryptophan and the appearance energy of the daughter ion fragments. This method allows the ionization energies of glycine (9.3 +/- 0.1 eV), tryptophan (7.3 +/- 0.2 eV), phenylalanine (8.6 +/- 0.1 eV), phenylalanine-glycine-glycine (9.1 +/- 0.1 eV), and beta-carotene (< 7.0 eV) molecules to be determined directly from the photoionization efficiency spectra. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Ahmed, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mahmed@lbl.gov RI Ahmed, Musahid/A-8733-2009 NR 33 TC 67 Z9 68 U1 2 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 16 PY 2006 VL 110 IS 6 BP 2106 EP 2113 DI 10.1021/jp0543734 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012XB UT WOS:000235373100004 PM 16466244 ER PT J AU Mezyk, SP Helgeson, T Cole, SK Cooper, WJ Fox, RV Gardinali, PR Mincher, BJ AF Mezyk, SP Helgeson, T Cole, SK Cooper, WJ Fox, RV Gardinali, PR Mincher, BJ TI Free radical chemistry of disinfection-byproducts. 1. Kinetics of hydrated electron and hydroxyl radical reactions with halonitromethanes in water SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RATE CONSTANTS; DRINKING-WATER; PULSE-RADIOLYSIS; CHLOROPICRIN; CONTAMINANTS; POLLUTANTS; BROMIDE AB Halonitromethanes are disinfection-byproducts formed during ozonation and chlorine/chloramine treatment of waters that contain bromide ion and natural organic matter. In this study, the chemical kinetics of the free-radical-induced degradations of a series of halonitromethanes were determined. Absolute rate constants for hydroxyl radical, (OH)-O-center dot, and hydrated electron, e(aq)(-), reaction with both chlorinated and brominated halonitromethanes were measured using the techniques of electron pulse radiolysis and transient absorption spectroscopy. The bimolecular rate constants obtained, k (M-1 s(-1)), for e(aq)(-)/(OH)-O-center dot, respectively, were the following: chloronitromethane (3.01 +/- 0.40) x 10(10)/(1.94 +/- 0.32) x 10(8); dichloronitromethane (3.21 +/- 0.17) x 10(10)/(5.12 +/- 0.77) x 10(8); bromonitromethane (3.13 +/- 0.06) x 10(10)/(8.36 +/- 0.57) x 10(7); dibromonitromethane (3.07 +/- 0.40) x 10(10)/(4.75 +/- 0.98) x 10(8); tribromonitromethane (2.29 +/- 0.39) x 10(10)/(3.25 +/- 0.67) x 10(8); bromochloronitromethane (2.93 +/- 0.47) x 10(10)/(4.2 +/- 1.1) x 10(8); bromodichloronitromethane (2.68 +/- 0.13) x 10(10)/(1.02 +/- 0.15) x 10(8); and dibromochloronitromethane (2.95 +/- 0.43) x 10(10)/(1.80 +/- 0.31) x 10(8) at room temperature and pH similar to 7. Comparison data were also obtained for hydroxyl radical reaction with bromoform (1.50 +/- 0.05) x 10(8), bromodichloromethane (7.11 +/- 0.26) x 10(7), and chlorodibromomethane (8.31 +/- 0.25) x 10(7) M-1 s(-1), respectively. These rate constants are compared to recently obtained data for trichloronitromethane and bromonitromethane, as well as to other established literature data for analogous compounds. C1 Calif State Univ Long Beach, Dept Chem & Biochem, Long Beach, CA 90840 USA. Old Dominion Univ, Dept Civil & Environm Engn, Norfolk, VA 23529 USA. Univ N Carolina, Dept Chem & Biochem, Wilmington, NC 28403 USA. Idaho Natl Lab, Dept Chem Sci, Idaho Falls, ID 83415 USA. Florida Int Univ, Dept Chem & Biochem, Miami, FL 33199 USA. Idaho Natl Lab, Radiat Phys Grp, Idaho Falls, ID 83415 USA. RP Mezyk, SP (reprint author), Calif State Univ Long Beach, Dept Chem & Biochem, 1250 Bellflower Blvd, Long Beach, CA 90840 USA. EM smezyk@csulb.edu RI Mincher, Bruce/C-7758-2017 NR 33 TC 23 Z9 25 U1 2 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 16 PY 2006 VL 110 IS 6 BP 2176 EP 2180 DI 10.1021/jp054962+ PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012XB UT WOS:000235373100013 PM 16466253 ER PT J AU Ionescu, TC Qi, F McCabe, C Striolo, A Kieffer, J Cummings, PT AF Ionescu, TC Qi, F McCabe, C Striolo, A Kieffer, J Cummings, PT TI Evaluation of force fields for molecular simulation of polyhedral oligomeric silsesquioxanes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CRYSTAL-STRUCTURE; THERMAL-PROPERTIES; DYNAMICS; POTENTIALS; POLYMERS AB Polyhedral oligomeric silsesquioxanes (POSS) are nanometer-size molecules suitable for the production of organic-inorganic nanocomposite materials. These organic-inorganic nano-building blocks show promise for enabling the production of polymeric materials of exceptional mechanical properties as well as novel composite materials. While the experimental studies of these materials have rapidly evolved in the past decade, their theoretical investigation is still in its infancy. Toward the validation of force fields for the molecular simulation of POSS-containing systems, we present the charge-transfer reactive (CTR) force field for the molecular simulation of polyhedral oligomeric silsesquioxane (POSS) molecules and compare the ability of this, and several force fields taken from the literature, to predict the thermophysical properties of POSS-containing systems. The literature force fields compared include the universal force field (UFF) and the COMPASS and Hybrid-COMPASS force fields. Predictions from molecular dynamics simulations of the structural parameters (unit cell vectors), melting temperature, and Fr-IR spectra of crystals of POSS monomers are presented. The POSS monomers investigated are octahydride, octamethyl, and octapropyl POSS. Predicted quantities are compared to experimental results where available and provide molecular-level physical insight into several aspects of the behavior of POSS molecules. While all the force fields tested perform reasonably well, our results indicate that the Hybrid-COMPASS and CTR force fields predict structural properties that are in good agreement with experimental data. C1 Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP McCabe, C (reprint author), Vanderbilt Univ, Dept Chem Engn, 221 Kirkland Hall, Nashville, TN 37235 USA. EM c.mccabe@vanderbilt.edu RI Striolo, Alberto/G-2926-2011; McCabe, Clare/I-8017-2012; Cummings, Peter/B-8762-2013 OI McCabe, Clare/0000-0002-8552-9135; Cummings, Peter/0000-0002-9766-2216 NR 36 TC 52 Z9 54 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 16 PY 2006 VL 110 IS 6 BP 2502 EP 2510 DI 10.1021/jp052707j PG 9 WC Chemistry, Physical SC Chemistry GA 012XE UT WOS:000235373400009 PM 16471847 ER PT J AU Petrik, NG Kavetsky, AG Kimmel, GA AF Petrik, NG Kavetsky, AG Kimmel, GA TI Electron-stimulated production of molecular oxygen in amorphous solid water SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ICY SATELLITES; D2O ICE; HYDROGEN; TEMPERATURE; CHEMISTRY; PT(111); FILMS; PHOTODESORPTION; DISSOCIATION; DESORPTION AB The low-energy, electron-stimulated production of molecular oxygen from pure amorphous solid water (ASW) films and ASW films codosed with H2O2 is investigated. Layered films of (H2O)-O-16 and (H2O)-O-18 are used to investigate the reaction mechanisms for O-2 production and the spatial profile of the reactions within the films. The O-2 yield is dose-dependent, indicating that precursors are involved in the O-2 production. For temperatures below similar to 80 K, the O-2 yield at steady state is relatively low and nearly independent of temperature. At higher temperatures, the yield increases rapidly. The O-2 yield is enhanced from H2O2-dosed water films, but the experiments show that H2O2 is not the final precursor in the reactions leading to O-2 Instead, a stable precursor for O-2 is produced through a multistep reaction sequence probably involving the reactions of OH radicals to produce H2O2 and then HO2. The O-2 is Produced in a nonthermal reaction from the HO2. For relatively thick films, the reactions leading to O-2 occur at or near the ASW/vacuum interface. However, the electronic excitations that initiate the reactions occur over a larger range in the film. A kinetic model that qualitatively accounts for all of the observations is presented. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Kimmel, GA (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, Mail Stop K8-88,POB 999, Richland, WA 99352 USA. EM gregory.kimmel@pnl.gov RI Petrik, Nikolay/G-3267-2015; OI Petrik, Nikolay/0000-0001-7129-0752; Kimmel, Greg/0000-0003-4447-2440 NR 36 TC 20 Z9 20 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 16 PY 2006 VL 110 IS 6 BP 2723 EP 2731 DI 10.1021/jp055173v PG 9 WC Chemistry, Physical SC Chemistry GA 012XE UT WOS:000235373400039 PM 16471877 ER PT J AU Yang, SW Iglesia, E Bell, AT AF Yang, SW Iglesia, E Bell, AT TI Nature, density, and catalytic role of exposed species on dispersed VOx/CrOx/Al2O3 catalysts SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PROPANE OXIDATIVE DEHYDROGENATION; VANADIUM-OXIDE CATALYSTS; PHOTOCATALYTIC REACTIVITY; SUPPORTED CHROMIA; NO ADSORPTION; NITRIC-OXIDE; ALUMINA; IR; CHEMISTRY; KINETICS AB The structure and surface composition of binary oxides consisting of CrOx and VOx dispersed on alumina and their effects on the rate and selectivity of oxidative dehydrogenation (ODH) of propane were examined and compared with those for CrOx and VOx dispersed on alumina. VOx deposition on an equivalent CrOx monolayer on alumina and deposition of CrOx on an equivalent monolayer of VOx deposited on alumina led to CrVO4 species during thermal treatment with concomitant reduction of Cr6+ to Cr3+. Autoreduction of Cr6+ to Cr3+ is also detected for CrOx, even without the presence of VOx. Infrared spectroscopy of NO adsorbed at 153 K probes the relative abundance of alumina and of V5+, Cr3+, and Cr6+ at surfaces. This technique detects differences in the surface composition of VOx/CrOx/Al2O3 and CrOx/VOx/Al2O3. The first of these samples is enriched in VOx relative to CrOx compared with the second sample. Consistent with this finding, VOx/CrOx/Al2O3 and CrOx/VOx/Al2O3 are distinguishable in their ODH activities and propene selectivities. The highest ODH activity and propene selectivity is observed for VOx/CrOx/Al2O3, which exhibits a surface enriched in VOx and having a low surface concentration of Cr6+. C1 Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM iglesia@cchem.berkeley.edu; bell@cchem.berkeley.edu RI Iglesia, Enrique/D-9551-2017 OI Iglesia, Enrique/0000-0003-4109-1001 NR 53 TC 16 Z9 16 U1 3 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 16 PY 2006 VL 110 IS 6 BP 2732 EP 2739 DI 10.1021/jp0582538 PG 8 WC Chemistry, Physical SC Chemistry GA 012XE UT WOS:000235373400040 PM 16471878 ER PT J AU Tikhonov, AM AF Tikhonov, AM TI Water density in the electric double layer at the insulator/electrolyte solution interface SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID X-RAY-REFLECTIVITY; ELECTROLYTE INTERFACE; FINE PARTICLES; STABILIZATION; ADSORPTION; EMULSIONS; PHASE AB I studied the spatial structure of the thick transition region between n-hexane and a colloidal solution of 7-nm silica particles by X-ray reflectivity and grazing incidence small-angle scattering. The interfacial structure is discussed in terms of a semiquantitative interface model wherein the potential gradient at the n-hexane/sol interface reflects the difference in the potentials of "image forces" between the cationic Na+ and anions (nanoparticles) and the specific adsorption of surface charge at the interface between the adsorbed layer and the solution, as well as at the interface between the adsorbed layer and n-hexane. The X-ray scattering data revealed that the average density of water in the field similar to 10(9)-10(10) V/m of the electrical double layer at the hexane/silica sol interface is the same as, or only few percent higher (1-7%) than, its density under normal conditions. C1 Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Tikhonov, AM (reprint author), Univ Chicago, Consortium Adv Radiat Sources, Beamline X19C, Chicago, IL 60637 USA. EM tikhonov@bnl.gov RI Tikhonov, Aleksey/N-1111-2016 NR 28 TC 7 Z9 7 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 16 PY 2006 VL 110 IS 6 BP 2746 EP 2750 DI 10.1021/jp055597p PG 5 WC Chemistry, Physical SC Chemistry GA 012XE UT WOS:000235373400042 PM 16471880 ER PT J AU Lindesay, JH Noyes, HP Jones, ED AF Lindesay, JH Noyes, HP Jones, ED TI CMB fluctuation amplitude from dark energy partitions SO PHYSICS LETTERS B LA English DT Article ID EQUATION-OF-STATE; HUBBLE-SPACE-TELESCOPE; COSMOLOGICAL CONSTANT; HIGH-REDSHIFT; TIME-DEPENDENCE; SUPERNOVA DATA; OLD GALAXIES; CONSTRAINTS; UNIVERSE; AGES AB It is assumed that the dark energy observed today is frozen as a result of a phase transition involving the source of that energy. Postulating that the dark energy decoherence which results from this phase transition drives statistical variations in the energy density specifies a class of cosmological models in which the cosmic microwave background (CMB) fluctuation amplitude at last scattering is approximately 10(-5). (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lindesay, JH (reprint author), Howard Univ, Dept Phys, Washington, DC 20059 USA. EM jlslac@slac.stanford.edu; noyes@slac.stanford.edu; jones37@llnl.gov NR 52 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 16 PY 2006 VL 633 IS 4-5 BP 433 EP 440 DI 10.1016/j.physletb.2005.12.026 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 010WT UT WOS:000235229300005 ER PT J AU Barenboim, G Lykken, J AF Barenboim, G Lykken, J TI Slinky inflation SO PHYSICS LETTERS B LA English DT Article ID QUINTESSENCE; COINCIDENCE AB We present a new approach to quintessential inflation, in which both dark energy and inflation are explained by the evolution of a single scalar field. We start from a simple scalar potential with both oscillatory and exponential behavior. We employ the conventional reheating mechanism of new inflation, in which the scalar decays to light fermions with a decay width that is proportional to the scalar mass. Because our scalar mass is proportional to the Hubble rate, this gives adequate reheating at early times while shutting off at late times to preserve quintessence and satisfy nucleosynthesis constraints. We discuss a simple model which solves the horizon, flatness, and "why now" problems. Without any additional tuning of parameters, this model satisfies all constraints from CMB, large scale structure, and nucleosynthesis. The predictions for the inflationary spectral indices are n(S) = n(T) = 1. In this model we are currently beginning the third cosmic epoch of accelerated expansion. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Valencia, Dept Fis Teor, E-46100 Burjassot, Spain. Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. RP Barenboim, G (reprint author), Univ Valencia, Dept Fis Teor, Carrer Dr Moliner 50, E-46100 Burjassot, Spain. EM gabriela.barenboim@uv.es NR 21 TC 21 Z9 21 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 16 PY 2006 VL 633 IS 4-5 BP 453 EP 457 DI 10.1016/j.physletb.2005.12.041 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 010WT UT WOS:000235229300008 ER PT J AU Lipkin, HJ AF Lipkin, HJ TI Analysis of new charmless strange B decay data leaves high B -> K eta ' and B -> K eta ' X still unexplained SO PHYSICS LETTERS B LA English DT Article ID FINAL-STATE INTERACTIONS; CONSEQUENCES; MESONS; ETA' AB The question of whether the anomalously large B -> Kn' and B -> Kn'X (inclusive) branching ratios are consistent with the standard model or a sign of new physics is still open and in the experimental court. The nature of the extra hadron X in B -> Kn'X is completely unknown. Directions for investigation and analysis of inclusive data are suggested as well as for comparable inclusive data on B -> KnX. New data confirming the prediction BR(K(+/-)p(0)) = BR(K(+/-)omega) support flavor-topology B -> VP sum rules based on the OZI rule and emphasize the sharp contrast with the failure of the analogous B -> PP sum rule due to the anomalously large BR(B -> Kn'). Confirmation of OZI validity in B-decay analyses for VP final states suggests improving data on the analogous neutral decay difference BR(B-0 -> K(0)p(0)) - BR(B-0 -> K(0)omega)) which measures tree-penguin interference and possible direct CP violation. A successful approximate isospin sum rule is rear-ranged and reinterpreted to pinpoint tree-penguin interference in B -> K pi and B -> Kp transitions. The magnitude of the interference is shown to still be at the statistical noise level with present data. (c) 2005 Published by Elsevier B.V. C1 Tel Aviv Univ, Sch Phys & Astron, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Argonne Natl Lab, High Energy Phys Div, Argonne, IL 60439 USA. RP Lipkin, HJ (reprint author), Tel Aviv Univ, Sch Phys & Astron, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. EM ftlipkin@weizmann.ac.il NR 20 TC 7 Z9 7 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD FEB 16 PY 2006 VL 633 IS 4-5 BP 540 EP 544 DI 10.1016/j.physletb.2005.12.058 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 010WT UT WOS:000235229300023 ER PT J AU Nomura, Y Poland, D Tweedie, B AF Nomura, Y Poland, D Tweedie, B TI mu B-driven electroweak symmetry breaking SO PHYSICS LETTERS B LA English DT Article ID SUPERSYMMETRIC STANDARD MODEL; SOFTLY BROKEN SUPERSYMMETRY; LIGHTEST HIGGS BOSON; SUPERGRAVITY; MASS; SCALE; UNIFICATION; MSSM; GUTS AB We consider a scenario in which the dominant quartic coupling for the Higgs doublets arises from the F-term potential, rather than the conventional SU(2)(L) x U(1)(Upsilon) D-term potential, in supersymmetric theories. The quartic coupling arises from a superpotential interaction between the two Higgs doublets and a singlet field, but unlike the case in the next-to-minimal supersymmetric standard model the singlet field is not responsible for the generation of the supersymmetric or holomorphic supersymmetry-breaking masses for the Higgs doublets. We find that this naturally leads to a deviation from the conventional picture of top-Yukawa driven electroweak symmetry breaking-electroweak symmetry breaking is triggered by the holomorphic supersymmetry breaking mass for the Higgs doublets (the mu B term). This allows a significant improvement for fine-tuning in electroweak symmetry breaking, since the top squarks do not play a major role in raising the Higgs boson mass or in triggering electroweak symmetry breaking and thus can be light. The amount of fine-tuning is given by the squared ratio of the lightest Higgs boson mass to the charged Higgs boson mass, which can be made better than 20%. Solid implications of the scenario include a small value for tan beta, tan beta less than or similar to 3, and relatively light top squarks. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Tweedie, B (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM brock@berkeley.edu RI Poland, David/A-8689-2015; OI Poland, David/0000-0003-3854-2430; Nomura, Yasunori/0000-0002-1497-1479 NR 38 TC 12 Z9 12 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 16 PY 2006 VL 633 IS 4-5 BP 573 EP 582 DI 10.1016/j.physletb.2005.12.011 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 010WT UT WOS:000235229300029 ER PT J AU Ding, YS Kil, KE Lin, KS Ma, W Yokota, Y Carroll, IF AF Ding, YS Kil, KE Lin, KS Ma, W Yokota, Y Carroll, IF TI A novel nicotinic acetylcholine receptor antagonist radioligand for PET studies SO BIOORGANIC & MEDICINAL CHEMISTRY LETTERS LA English DT Article DE nAChR; antagonist; PET; C-11 ID POSITRON-EMISSION-TOMOGRAPHY; NOREPINEPHRINE TRANSPORTER; ANTINOCICEPTIVE PROPERTIES; SELECTIVE LIGANDS; BRAIN; ANALOGS; BINDING; SMOKING; TOXICITY; BABOONS AB Using positron emission tomography (PET) with a specific and selective radioligand targeting nicotinic acetylcholine receptor (nAChR) would allow us to better understand various nAChR related CNS disorders. The use of radiolabeled nAChR antagonists would provide a much safer pharmacological profile, avoiding most peripheral side effects that might be generated from radiolabeled nAChR agonists even at the tracer level; thus, PET imaging with nAChR antagonists would facilitate clinical application. A potent and selective nAChR antagonist was labeled and characterized with PET in non-human primates. Its high brain uptake, high signal-to-noise ratio, and high specific binding strongly suggest a great potential to carry out imaging studies in humans. In addition, the use of a C-11 radiotracer would allow us to perform multiple PET studies in the same individual within a short time frame. The presence of an iodine atom in the molecule also allows the possibility to label with radioiodine for SPECT studies. (c) 2005 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Univ Pittsburgh, Dept Radiol, Pittsburgh, PA 15213 USA. Chem & Life Sci, Res Triangle Pk, NC 27709 USA. RP Ding, YS (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM ding@bnl.gov OI Lin, Kuo-Shyan/0000-0002-0739-0780 FU NIBIB NIH HHS [EB002630]; NIDA NIH HHS [DA 12001, DA-06278] NR 27 TC 15 Z9 15 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-894X J9 BIOORG MED CHEM LETT JI Bioorg. Med. Chem. Lett. PD FEB 15 PY 2006 VL 16 IS 4 BP 1049 EP 1053 DI 10.1016/j.bmcl.2005.10.075 PG 5 WC Chemistry, Medicinal; Chemistry, Organic SC Pharmacology & Pharmacy; Chemistry GA 007CV UT WOS:000234946300060 PM 16289815 ER PT J AU Zhou, XC Zhou, JH AF Zhou, XC Zhou, JH TI Oligosaccharide microarrays fabricated on aminooxyacetyl functionalized glass surface for characterization of carbohydrate-protein interaction SO BIOSENSORS & BIOELECTRONICS LA English DT Article DE carbohydrate microarrays; protein-carbohydrate interaction; oxime bonding; biochips; oligosaccharide ID MICROTITER PLATE; PEPTIDE; CHIPS; IMMOBILIZATION; TEMPLATE; ADHESION; BINDING; ARRAYS; ASSAY AB Carbohydrate-protein interactions play important biological roles in biological processes. But there is a lack of hi.-h-throughput methods to elucidate recognition events between carbohydrates and proteins. This paper reported a convenient and efficient method for preparing oligosaccharide microarrays, wherein the underivatized oligosaccharide probes were efficiently immobilized on aminooxyacetyl functionalized class surface by formation of oxime bonding with the carbonyl group at the reducing end of the suitable carbohydrates via irreversible condensation. Prototypes of carbohydrate microarrays containing 10 oligosaccharides were fabricated on aminooxyacetyl functionalized glass by robotic arrayer. Utilization of the prepared carbohydrate microarrays for the characterization of carbohydrate-protein interaction reveals that carbohydrates with different structural features selectively bound to the corresponding lectins with relative binding affinities that correlated with those obtained from solution-based assays. The limit of detection (LOD) for lectin ConA on the fabricated carbohydrate microarrays was determined to be similar to 0.008 mu g/mL. Inhibition experiment with soluble carbohydrates also demonstrated that the binding affinities of lectins to different carbohydrates could be analyzed quantitatively by determining IC50 values of the soluble carbohydrates with the carbohydrate microarrays. This work provides a simple procedure to prepare carbohydrate microarray for high-throughput parallel characterization of carbohydrate-protein interaction. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Zhou, JH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM zhoux@ornl.gov; zhouj@ornl.gov NR 30 TC 67 Z9 68 U1 1 U2 20 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0956-5663 J9 BIOSENS BIOELECTRON JI Biosens. Bioelectron. PD FEB 15 PY 2006 VL 21 IS 8 BP 1451 EP 1458 DI 10.1016/j.bios.2005.06.008 PG 8 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 014PT UT WOS:000235492900006 PM 16099642 ER PT J AU Wozei, E Hermanowicz, SW Holman, HYN AF Wozei, E Hermanowicz, SW Holman, HYN TI Developing a biosensor for estrogens in water samples: Study of the real-time response of live cells of the estrogen-sensitive yeast strain RMY/ER-ERE using fluorescence microscopy SO BIOSENSORS & BIOELECTRONICS LA English DT Article DE biosensor; estrogen; yeast; live cell response; environmental monitoring; fluorescence ID GENE-EXPRESSION; STEROID ACTION; RECEPTOR; TRANSACTIVATION; MECHANISMS AB Using a fluorescein di-beta-D-galactopyranoside (FDG) substrate we show that in live cells of an estrogen-sensitive yeast strain RMY/ER-ERE with human estrogen receptor (ER alpha) gene and the lacZ gene which encodes beta-galactosidase, the uptake of 17 beta-estradiol (E2) and the subsequent production of beta-galactosidase enzyme occur quite rapidly, with maximal enzyme-catalyzed product formation evident after about 30 min of exposure to E2. This finding which agrees with the well-known rates of enzyme-catalyzed reactions could have implications for shortening the duration of environmental sample screening and monitoring regimes using yeast-based estrogen assays, and the development of biosensors for environmental estrogens to complement quantification methods. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Wozei, E (reprint author), Lawrence Berkeley Lab, Ctr Environm Biotechnol, MS 70A-3317, Berkeley, CA 94720 USA. EM EWozei@LBL.gov RI Hermanowicz, Slawomir/D-7678-2014; Holman, Hoi-Ying/N-8451-2014 OI Hermanowicz, Slawomir/0000-0003-3708-0262; Holman, Hoi-Ying/0000-0002-7534-2625 NR 18 TC 20 Z9 20 U1 2 U2 10 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0956-5663 J9 BIOSENS BIOELECTRON JI Biosens. Bioelectron. PD FEB 15 PY 2006 VL 21 IS 8 BP 1654 EP 1658 DI 10.1016/j.bios.2005.07.021 PG 5 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 014PT UT WOS:000235492900033 PM 16143503 ER PT J AU Cetinkaya, M Zeytun, A Sofo, J Demirel, MC AF Cetinkaya, M Zeytun, A Sofo, J Demirel, MC TI How do insertions affect green fluorescent protein? SO CHEMICAL PHYSICS LETTERS LA English DT Article ID MOLECULAR-DYNAMICS; CHROMOPHORE; SPECTROSCOPY; ENVIRONMENT; MUTATIONS; SCAFFOLD; MUTANTS; STATES; LIGHT AB A computer-based modeling and bench-top experiments are combined to understand the fluorescence of GFP. Random octapeptides are inserted into individual loops of the GFP. Amino acid sequences and fluorescence levels of clones from each loop are determined. The effect of peptide insertions into the loop regions of GFP are studied computationally using quantum mechanics and molecular dynamics calculations. Our experimental and computational results show that the random peptide insertions into the loop regions change the absorption intensity of the GFP but not the absorption wavelength. (c) 2005 Elsevier B.V. All rights reserved. C1 Penn State Univ, Coll Engn, University Pk, PA 16802 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. RP Demirel, MC (reprint author), Penn State Univ, Coll Engn, 212 EES Bldg,Off 205A, University Pk, PA 16802 USA. EM mcd18@psu.edu RI Cetinkaya, Murat/A-7995-2010; Demirel, Melik/E-4495-2010; Sofo, Jorge/J-4415-2012; Sofo, Jorge/B-4344-2014; Demirel, Melik/E-3775-2016 OI Sofo, Jorge/0000-0003-4513-3694; Sofo, Jorge/0000-0003-4513-3694; NR 29 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 15 PY 2006 VL 419 IS 1-3 BP 48 EP 54 DI 10.1016/j.cplett.2005.11.046 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 013VU UT WOS:000235438900010 ER PT J AU Vazquez-Mayagoitia, A Vargas, R Nichols, JA Fuentealba, P Garza, J AF Vazquez-Mayagoitia, A Vargas, R Nichols, JA Fuentealba, P Garza, J TI Relationship between singlet-triplet excitation energies and the Kohn-Sham orbitals obtained with potentials that exhibit a wrong asymptotic behavior SO CHEMICAL PHYSICS LETTERS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; BASIS-SET; EXCITED-STATE; HARTREE-FOCK; BUTADIENE; OLIGOMERS; HYDROGEN; SYSTEMS; BORON; GAPS AB A linear relationship was found between the singlet-triplet excitation energy and the energy difference presented by the Kohn-Sham frontier molecular orbitals, independently of the used exchange-correlation functional and of the basis set functions quality. The relationship was explored in three different situations: (a) when the number of carbons is increased in an all-trans acetylene family; (b) rotation of the trans-butadiene around the single bond; (c) dissociation process of the molecules H-2 and FH. Additionally, it was found a strong relationship between the vertical singlet-triplet excitation energy obtained with the B3LYP and the multiconfiguration-self consistent methods. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Autonoma Metropolitana Iztapalapa, Div Ciencias Basics & Ingn, Dept Quim, Mexico City, DF, Mexico. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Univ Chile, Fac Ciencias, Dept Fis, Santiago 653, Chile. RP Garza, J (reprint author), Univ Autonoma Metropolitana Iztapalapa, Div Ciencias Basics & Ingn, Dept Quim, Rafael Atlixco 186,Col Vicentina,CP 09340, Mexico City, DF, Mexico. EM jgo@xanum.uam.mx RI Garza-Olguin, Jorge/N-3106-2016; fuentealba, patricio/D-6300-2011; fuentealba, patricio/A-4522-2008; Vazquez-Mayagoitia, Alvaro/A-9755-2010; Garza, Jorge/H-9395-2016 OI Garza-Olguin, Jorge/0000-0003-4249-6078; Nichols, Jeffrey/0000-0001-5454-9726; Garza, Jorge/0000-0003-4249-6078 NR 35 TC 7 Z9 7 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 15 PY 2006 VL 419 IS 1-3 BP 207 EP 212 DI 10.1016/j.cplett.2005.11.075 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 013VU UT WOS:000235438900041 ER PT J AU Zheng, ZP Wan, JM Song, XY Tokunaga, TK AF Zheng, ZP Wan, JM Song, XY Tokunaga, TK TI Sodium meta-autunite colloids: Synthesis, characterization, and stability SO COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS LA English DT Article DE sodium meta-autunite; colloids; synthesis; characterization; stability ID DYNAMIC LIGHT-SCATTERING; URANIUM; PARTICLES; TRANSFORMATION; CHERNIKOVITE; DISPERSIONS; SOLUBILITY; MOBILITY; FORCES AB Waste forms of uranium (U), such as those in the U.S. Department of Energy's Hanford Site, often contain high concentrations of sodium and 0 phosphorus. Low solubility sodium uranyl phosphates such as sodium meta-autunite have the potential to form mobile colloids that can facilitate transport of this radionuclide. To understand the stability behavior of uranyl phosphate colloids, we synthesized sodium meta-autunite colloids and characterized their morphology, chemical composition, structure, dehydration, and Surface charge. The stability of these synthetic, plate-shaped colloids was tested with respect to time and pH. We observed the highest aggregation rate to be at pH 3, with the rate decreasing as pH increases, indicating a higher stability of colloid dispersion under neutral and alkaline pH conditions. The synthetic colloids are all negatively charged, and no isoelectric points were found over a pH range of 3-9. The zeta potentials (zeta) of the colloids in the phosphate solution show a strong pH-dependence in the more acidic range over time, but are relatively constant in the neutral and alkaline pH range. Using DerjagLiin-Landau-Verwey-Overbeek theory, the stability behavior of these synthetic colloids was interpreted. The high stability of sodium meta-autunite colloids under neutral-alkaline conditions suggests that formation of sodium meta-autunite colloids can enhance the transport of U in U-contanninated sediments. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zheng, ZP (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM zzuoping@lbl.gov RI Tokunaga, Tetsu/H-2790-2014; Wan, Jiamin/H-6656-2014 OI Tokunaga, Tetsu/0000-0003-0861-6128; NR 38 TC 15 Z9 15 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-7757 J9 COLLOID SURFACE A JI Colloid Surf. A-Physicochem. Eng. Asp. PD FEB 15 PY 2006 VL 274 IS 1-3 BP 48 EP 55 DI 10.1016/j.colsurfa.2005.08.032 PG 8 WC Chemistry, Physical SC Chemistry GA 012RX UT WOS:000235358100008 ER PT J AU Wu, DG Malec, AD Majewski, J Majda, M AF Wu, DG Malec, AD Majewski, J Majda, M TI Orientation and lateral mobility of insoluble Tempo amphiphiles at the air/water interface SO ELECTROCHIMICA ACTA LA English DT Article; Proceedings Paper CT International Conference on Electrode Processes CY SEP 15-18, 2004 CL Szczyrk, POLAND DE lateral diffusion; 2D voltammetry; C(n)Tempo ID LIQUID-VAPOR INTERFACE; SUM-FREQUENCY SPECTROSCOPY; X-RAY REFLECTIVITY; MOLECULAR-DYNAMICS; AQUEOUS SURFACES; WATER; MONOLAYERS; SOLVATION; DIFFUSION; FILMS AB The lateral diffusion constants of two water insoluble redox surfactants, 4-alkaneamide derivatives of 2,2,6,6-tetramethyl-1-piperidynyloxy radical (C(n)Tempo where n = 14 or 18) were measured using 2D voltammetry with 500 mu m long line electrodes positioned in the plane of the air/water interface. In order to extend these measurements into a region of low surface concentrations, we first examined the line micro-band electrodes as well as the stability of the Tempo surfactants on the water surface. Only C(18)Tempo proved to be sufficiently insoluble in water to form stable monolayer films over sufficiently long periods of time to assure reproducible measurements in the range of mean molecular areas (MMA) of 50-750 angstrom(2)/molecule. In this range, its diffusion constant increases linearly with MMA. At MMA of ca. 450 angstrom(2)/molecule, this dependence becomes significantly weaker suggesting proximity of a plateau region with a D of ca. 1.5 x 10(-5) cm(2)/s. The orientation of C(18)Tempo on the water surface in a compressed monolayer at 52 angstrom(2)/molecule was determined by X-ray reflectivity using a synchrotron source. Only the amide group of C(18)Tempo appears to be immersed in the aqueous subphase while the alkane chain and the piperidine ring are located above the water surface pointing upwards. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87545 USA. RP Majda, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM majda@berkeley.edu RI Lujan Center, LANL/G-4896-2012 NR 48 TC 5 Z9 5 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD FEB 15 PY 2006 VL 51 IS 11 BP 2237 EP 2246 DI 10.1016/j.electacta.2005.04.083 PG 10 WC Electrochemistry SC Electrochemistry GA 018NA UT WOS:000235769900019 ER PT J AU Chang, HS Korshin, GV Wang, ZM Zachara, JM AF Chang, HS Korshin, GV Wang, ZM Zachara, JM TI Adsorption of uranyl on gibbsite: A time-resolved laser-induced fluorescence spectroscopy study SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SURFACE COMPLEXATION MODEL; URANIUM(VI) ADSORPTION; SORPTION; SPECIATION; HYDROLYSIS; U(VI); ION; MONTMORILLONITE; SEDIMENTS; FERRIHYDRITE AB Uranyl adsorbed on gibbsite at pH 4.0-8.0 and ionic strengths (ISs) 0.001-0.4 M (NaClO4) in the absence of carbonate was studied using time-resolved laser-induced fluorescence spectroscopy (TRLIFS) under cryogenic conditions. TRLIFS data showed the presence of several distinct emission components. Their contributions were determined using the evolving factor analysis approach. Four components denoted as species A, B, C, and D were discerned. Each of them was characterized by a characteristic response to pH and IS changes and also by a unique combination of the values of the fundamental transition energy E-0,E-0, vibronic spacing Delta E, and half-width of the vibronic lines Delta W Species A and B were major contributors to the overall emission, They were mainly affected by the pH and predominated below and above pH 5.0, respectively. In contrast with that, the contribution of species C was noticeable only at IS = 0.001 M, while it was suppressed or absent at high IS values. It was concluded that species A and B are likely to correspond to inner-sphere surface aluminol complexes = AlO-(UO2)(+) and equivalent to AlO-(UO2)OH degrees,, while species C was hypothesized to correspond to electrostatically bound uranyl complexes (predominantly [UO2(OH)(3)](-)). C1 Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98115 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Korshin, GV (reprint author), Univ Washington, Dept Civil & Environm Engn, Box 352700, Seattle, WA 98115 USA. EM Korshin@u.washington.edu RI Wang, Zheming/E-8244-2010; OI Wang, Zheming/0000-0002-1986-4357; Korshin, Gregory/0000-0002-9226-6601 NR 42 TC 35 Z9 35 U1 3 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD FEB 15 PY 2006 VL 40 IS 4 BP 1244 EP 1249 DI 10.1021/es051714i PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 014KK UT WOS:000235478700027 PM 16572782 ER PT J AU Neve, RM Parmar, H Amend, C Chen, C Rizzino, A Benz, CC AF Neve, RM Parmar, H Amend, C Chen, C Rizzino, A Benz, CC TI Identification of an epithelial-specific enhancer regulating ESX expression SO GENE LA English DT Article DE Ets; differentiation; breast cancer; ELF3; ESE1 ID ETS-TRANSCRIPTION FACTOR; GENE-EXPRESSION; FACTOR FAMILY; GENOMIC ORGANIZATION; BINDING PROTEIN; FACTOR ESE-1; II RECEPTOR; CELLS; CANCER; ELF3 AB The Ets transcription factor, ESX, exhibits a unique pattern of epithelial-restricted expression and transactivates genes involved in epithelial differentiation and cancer. The aim of this study was to determine the underlying genetic basis for epithetial-specific expression of ESX. We have identified a 30bp ESX enhancer sequence (EES) approximately 3 kb upstream of the proximal promoter. This region displays enhancer activity in an epithelial-specific manner and deletion of this region abrogates ESX gene transcription. An EES binding protein complex (EBC) was identified through electrophoretic mobility shift assays whose degree of EES binding correlated well with endogenous ESX levels in epithelial cells and was regulated by epithelial differentiation. Understanding the regulation of this element will lend insight into mechanisms of epithelial differentiation and the etiology of breast cancer and may provide novel targets for cancer therapeutic intervention. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Albany, CA 94710 USA. Buck Inst Age Res, Novato, CA 94945 USA. Univ Calif San Francisco, Canc Res Inst, San Francisco, CA 94143 USA. Univ Nebraska, Med Ctr, Eppley Inst Res Canc & Allied Dis, Omaha, NE 68198 USA. RP Neve, RM (reprint author), Lawrence Berkeley Lab, 717 Potter St, Albany, CA 94710 USA. EM rmneve@lbl.gov FU NCI NIH HHS [R01-CA36773] NR 29 TC 4 Z9 5 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1119 J9 GENE JI Gene PD FEB 15 PY 2006 VL 367 BP 118 EP 125 DI 10.1016/j.gene.2005.10.001 PG 8 WC Genetics & Heredity SC Genetics & Heredity GA 026BZ UT WOS:000236313000011 PM 16307850 ER PT J AU Jochum, KP Stoll, B Herwig, K Willbold, M Hofmann, AW Amini, M Aarburg, S Abouchami, W Hellebrand, E Mocek, B Raczek, I Stracke, A Alard, O Bouman, C Becker, S Ducking, M Bratz, H Klemd, R de Bruin, D Canil, D Cornell, D de Hoog, CJ Dalpe, C Danyushevsky, L Eisenhauer, A Gao, YJ Snow, JE Goschopf, N Gunther, D Latkoczy, C Guillong, M Hauri, EH Hofer, HE Lahaye, Y Horz, K Jacob, DE Kassemann, SA Kent, AJR Ludwig, T Zack, T Mason, PRD Meixner, A Rosner, M Misawa, KJ Nash, BP Pfander, J Premo, WR Sun, WD Tiepolo, M Vannucci, R Vennemann, T Wayne, D Woodhead, JD AF Jochum, Klaus Peter Stoll, Brigitte Herwig, Kirstin Willbold, Matthias Hofmann, Albrecht W. Amini, Marghaleray Aarburg, Susanne Abouchami, Wafa Hellebrand, Eric Mocek, Beate Raczek, Ingrid Stracke, Andreas Alard, Olivier Bouman, Claudia Becker, Stefan Duecking, Marc Braetz, Helene Klemd, Reiner de Bruin, Deon Canil, Dante Cornell, Dave de Hoog, Cees-Jan Dalpe, Claude Danyushevsky, Leonid Eisenhauer, Anton Gao, Yongjun Snow, Jonathan E. Goschopf, NOra Gunther, D. Latkoczy, Christopher Guillong, Marcel Hauri, Erik H. Hoefer, Heidi E. Lahaye, Yann Horz, Kersten Jacob, Dorrit E. Kassemann, Simone A. Kent, Adam J. R. Ludwig, Thomas Zack, Thomas Mason, Paul R. D. Meixner, Anette Rosner, Martin Misawa, Keiji Nash, Barbara P. Pfaender, Jorg Premo, Wayne R. Sun, Weidong Tiepolo, Massimo Vannucci, Riccardo Vennemann, Torsten Wayne, Dave Woodhead, Jon D. TI MPI-DING reference glasses for in situ microanalysis: New reference values for element concentrations and isotope ratios SO GEOCHEMISTRY GEOPHYSICS GEOSYSTEMS LA English DT Article DE MPI-DING glasses; reference values; isotopes; in situ microanalysis; geochemistry : radiogenic isotope geochemistry; geochemistry : major and trace element geochemistry; geochemistry : instruments and techniques ID PLASMA-MASS SPECTROMETRY; ABLATION-ICP-MS; GEOLOGICAL REFERENCE MATERIALS; CERTIFIED REFERENCE MATERIALS; ASSOCIATION-OF-GEOANALYSTS; TRACE-ELEMENTS; CHEMICAL-CHARACTERIZATION; ELECTRON-MICROPROBE; HIGH-PRECISION; SRM 610 AB [1] We present new analytical data of major and trace elements for the geological MPI-DING glasses KL2-G, ML3B-G, StHs6/80-G, GOR128-G, GOR132-G, BM90/21-G, T1-G, and ATHO-G. Different analytical methods were used to obtain a large spectrum of major and trace element data, in particular, EPMA, SIMS, LA-ICPMS, and isotope dilution by TIMS and ICPMS. Altogether, more than 60 qualified geochemical laboratories worldwide contributed to the analyses, allowing us to present new reference and information values and their uncertainties ( at 95% confidence level) for up to 74 elements. We complied with the recommendations for the certification of geological reference materials by the International Association of Geoanalysts (IAG). The reference values were derived from the results of 16 independent techniques, including definitive ( isotope dilution) and comparative bulk ( e. g., INAA, ICPMS, SSMS) and microanalytical ( e. g., LA-ICPMS, SIMS, EPMA) methods. Agreement between two or more independent methods and the use of definitive methods provided traceability to the fullest extent possible. We also present new and recently published data for the isotopic compositions of H, B, Li, O, Ca, Sr, Nd, Hf, and Pb. The results were mainly obtained by high-precision bulk techniques, such as TIMS and MC-ICPMS. In addition, LA-ICPMS and SIMS isotope data of B, Li, and Pb are presented. C1 Max Planck Inst Chem, D-55020 Mainz, Germany. IFM, GEOMAR, Leibniz Inst Meereswissensch, D-24148 Kiel, Germany. Monash Univ, Clayton, Vic 3800, Australia. Open Univ, Milton Keynes MK7 6AA, Bucks, England. Thermo Electron GmbH, Finnigan Adv Mass Spectrometry, D-28199 Bremen, Germany. Bundeskriminalamt, D-65173 Wiesbaden, Germany. Univ Wurzburg, D-97074 Wurzburg, Germany. Council Geosci, ZA-0001 Pretoria, South Africa. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Gothenburg, SE-40530 Gothenburg, Sweden. Royal Canadian Mounted Police, Forens Lab Serv, Ottawa, ON K1A 0R2, Canada. Univ Tasmania, Hobart, Tas 7001, Australia. Johannes Gutenberg Univ Mainz, D-55099 Mainz, Germany. ETH Honggerberg, HCI, CH-8093 Zurich, Switzerland. Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC 20015 USA. Goethe Univ Frankfurt, D-60054 Frankfurt, Germany. Univ Kiel, D-24098 Kiel, Germany. Ernst Moritz Arndt Univ Greifswald, D-17487 Greifswald, Germany. Univ Edinburgh, Edinburgh EH9 3JW, Midlothian, Scotland. Oregon State Univ, Dept Geosci, Corvallis, OR 97331 USA. Heidelberg Univ, D-69120 Heidelberg, Germany. Univ Utrecht, NL-3584 CD Utrecht, Netherlands. Geoforschungszentrum Potsdam, D-14473 Potsdam, Germany. Natl Inst Polar Res, Itabashi Ku, Tokyo 1738515, Japan. Univ Utah, Salt Lake City, UT 84111 USA. US Geol Survey, Denver, CO 80225 USA. CNR, IGG, Sez Pavia, I-27100 Pavia, Italy. Univ Pavia, I-27100 Pavia, Italy. Univ Tubingen, D-72074 Tubingen, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Melbourne, Melbourne, Vic 3010, Australia. RP Jochum, KP (reprint author), Max Planck Inst Chem, Postfach 3060, D-55020 Mainz, Germany. EM kpj@mpch-mainz.mpg.de RI Sun, Weidong/F-8482-2010; Jacob, Dorrit/F-8617-2010; ALARD, Olivier/A-7128-2008; Eisenhauer, Anton/K-6454-2012; Woodhead, Jon/C-2227-2012; Snow, Jonathan/E-5591-2011; Danyushevsky, Leonid/C-5346-2013; Rosner, Martin/B-9264-2009; Zack, Thomas/C-6153-2009; De Hoog, Jan/C-1354-2010; Hellebrand, Eric/L-2898-2013; Guillong, Marcel/F-8527-2015; Zack, Thomas/K-7228-2013 OI Mason, Paul/0000-0001-7569-5917; Woodhead, Jon/0000-0002-7614-0136; Willbold, Matthias/0000-0003-2178-2470; Jacob, Dorrit/0000-0003-4744-6627; ALARD, Olivier/0000-0002-0832-6625; Danyushevsky, Leonid/0000-0003-4050-6850; De Hoog, Jan/0000-0002-5930-3597; Guillong, Marcel/0000-0002-6920-3362; Zack, Thomas/0000-0003-4747-4134 NR 100 TC 247 Z9 256 U1 8 U2 65 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1525-2027 J9 GEOCHEM GEOPHY GEOSY JI Geochem. Geophys. Geosyst. PD FEB 15 PY 2006 VL 7 AR Q02008 DI 10.1029/2005GC001060 PG 44 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 065ZN UT WOS:000239199100001 ER PT J AU Meziani, MJ Liu, P Pathak, P Lin, J Vajandar, SK Allard, LF Sun, YP AF Meziani, MJ Liu, P Pathak, P Lin, J Vajandar, SK Allard, LF Sun, YP TI Stable suspension of crystalline Fe3O4 nanoparticles from in situ hot-fluid annealing SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID OIL MICROEMULSIONS; CONTRAST AGENTS; MAGNETIC FLUID; PARTICLES; MICROSPHERES; DEXTRAN; CELLS; MRI AB Crystalline Fe3O4 nanoparticles were prepared via chemical precipitation in reverse micellar cavities in a microemulsion, followed by in situ thermal annealing of the microemulsion at 150 degrees C. A valuable feature of the annealing is that the physical properties of the nanoparticles are preserved in the crystallization process, and the resulting crystalline Fe3O4 nanoparticles remain in stable suspensions. The method thus allows the control of average sizes in the final crystalline nanoparticles by varying the initial microemulsion parameters. Results from the characterization of the nanoparticle samples are presented and discussed. C1 Clemson Univ, Dept Chem, Clemson, SC 29634 USA. Clemson Univ, Lab Emerging Mat & Technol, Clemson, SC 29634 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Sun, YP (reprint author), Clemson Univ, Dept Chem, Clemson, SC 29634 USA. EM syaping@clemson.edu NR 32 TC 15 Z9 17 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD FEB 15 PY 2006 VL 45 IS 4 BP 1539 EP 1541 DI 10.1021/ie0505357 PG 3 WC Engineering, Chemical SC Engineering GA 011UQ UT WOS:000235294400031 ER PT J AU Balani, K Agarwal, A Dahotre, NB AF Balani, K Agarwal, A Dahotre, NB TI Molecular modeling of metastable FeB49 phase evolution in laser surface engineered coating SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MICROSTRUCTURE; ALLOYS; FE2B AB Interstitial iron-boride phases have been a subject of research interest for a long time owing to their useful properties. Metastable FeB49 phase evolved during nonequilibrium laser surface engineering was investigated along with FeB, Fe2B, and Fe3B phases. Theoretical x-ray diffraction spectrum derived from numerically constructed FeB49 crystal matched with the experimental diffraction pattern from laser surface engineered boride coating on the steel substrate. Furthermore, employment of ab initio SIESTA 1.3 molecular modeling for computation of total crystal energy elucidated instability of the FeB49 phase. The generation of thermodynamically nonequilibrium phase FeB49 along with Fe3B phase was further confirmed by selected area diffraction and high-resolution transmission electron microscopy analyses. (c) 2006 American Institute of Physics. C1 Florida Int Univ, Dept Mech & Mat Engn, Miami, FL 33174 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Mat Proc Grp, Oak Ridge, TN 37831 USA. RP Agarwal, A (reprint author), Florida Int Univ, Dept Mech & Mat Engn, EAS 3400, Miami, FL 33174 USA. EM agarwala@fiu.edu RI Balani, Kantesh/A-5325-2011 NR 16 TC 7 Z9 7 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 15 PY 2006 VL 99 IS 4 AR 044904 DI 10.1063/1.2172704 PG 4 WC Physics, Applied SC Physics GA 016ZF UT WOS:000235663100059 ER PT J AU Ramadan, W Ogale, SB Dhar, S Fu, LF Browning, ND Venkatesan, T AF Ramadan, W Ogale, SB Dhar, S Fu, LF Browning, ND Venkatesan, T TI Room temperature rectifying characteristics of epitaxial Y1Ba2Cu3-xZnxO7-delta (x=0.0,0.2) and Nb : SrTiO3 (Nb : 0.05%, 0.1%, 0.5%) heterojunctions SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CURRENT-VOLTAGE CHARACTERISTICS; HIGH-TC SUPERCONDUCTOR; O THIN-FILMS; DOPED SRTIO3; MAGNETIC-FIELD; HETEROSTRUCTURE; INTERFACE; ELECTROMIGRATION; SUPERLATTICES; YBA2CU3O7-X AB We report on the fabrication and electrical characterization of epitaxial metal-semiconductor junctions between Y1Ba2Cu3O7-delta (YBCO) (optimally doped and Zn doped) and (001) Nb:SrTiO3 with different Nb concentrations (0.05%, 0.1%, and 0.5%). The current-voltage characteristics of such epitaxial junctions are nonlinear and rectifying, and these are dramatically enhanced with decreasing Nb concentration and Zn doping. Indeed, for the case of 0.05% Nb:STO, reverse breakdown voltage as high as -18 V(-28 V) is realized for optimally doped (Zn doped) YBCO. These data are analyzed within the framework of thermionic emission/diffusion models for Schottky and metal-insulator-semiconductor-type junctions. (c) 2006 American Institute of Physics. C1 Univ Maryland, Dept Phys, Ctr Supercond Res, College Pk, MD 20742 USA. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Natl Ctr Electron Microscopy, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ramadan, W (reprint author), Univ Maryland, Dept Phys, Ctr Supercond Res, College Pk, MD 20742 USA. EM ogale@squid.umd.edu RI Venkatesan, Thirumalai/E-1667-2013 NR 35 TC 12 Z9 12 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 15 PY 2006 VL 99 IS 4 AR 043906 DI 10.1063/1.2172867 PG 4 WC Physics, Applied SC Physics GA 016ZF UT WOS:000235663100033 ER PT J AU Disselkamp, RS Tonkyn, RG Chin, YH Peden, CHR AF Disselkamp, RS Tonkyn, RG Chin, YH Peden, CHR TI Developing multiple-site kinetic models in catalysis simulation: A case study of O-2+2NO <-> 2NO(2) oxidation-reduction chemistry on Pt(100) catalyst crystal facets SO JOURNAL OF CATALYSIS LA English DT Article DE multiple-site kinetic model; site-specific microkinetic modeling ID TEMPERATURE-PROGRAMMED DESORPTION; MONTE-CARLO-SIMULATION; NITROGEN-DIOXIDE; NITRIC-OXIDE; NO OXIDATION; ADSORPTION; DECOMPOSITION; OXYGEN; SURFACES; PT(111) AB It is generally recognized that developing a kinetic model for a supported catalyst is difficult because of the existence of multiple sites. These sites can arise from a distribution of crystal facets (e.g., (100), (110)) each with its unique intrinsic site types (e.g., atop, bridge, hollow). Additional complexities arise from non-basel plane site types (e.g., defect, edge, corner), the differing lateral interaction energies of which may be coverage-dependent for each of their pairwise interactions. To demonstrate the complexities that develop for even a greatly simplified system, we examine a multiple site kinetic model of the reaction 2NO + O-2 <-> 2NO(2) on an ideal Pt(100) catalyst. A model of the Pt(100) surface is adopted where atop, bridge, and fourfold hollow sites are responsible for O-2, NO, and NO2 chemisorption to form Pt-O, Pt-NO, and Pt-NO2 species. In our kinetic scheme, equilibrium is assumed for O-2, NO, and NO2 chemisorption due to their high sticking coefficients (all > 0.1). A single rate-determining step of the Langmuir-Hinshelwood type was chosen to describe the oxidation of NO on platinum via the reaction Pt-H,Pt-A,Pt-B-O + Pt-H,Pt-A,Pt-B-NO <-> Pt-H,Pt-A,Pt-B + Pt-H,Pt-A,Pt-B-NO2, where H, A, and B represent hollow, atop, and bridge sites. Equal kinetic parameters for all site combinations were assumed to exist and were in part taken from the literature to be Delta H-dagger = 83 kJ/mol and Delta S-dagger = 20 J/(K mol). The exercise here is largely hypothetical but offers insight into how more detailed kinetic models may be developed, such as through the use of reaction velocity matrices, a concept introduced here. Specifically for this system, the model yielded insight into NOx chemistry on Pt(100) in that it predicted that the greatest reaction velocities (forward and reverse) occurred via the reaction Pt-O(atop) + Pt-NO(bridge) <-> Pt(atop) + Pt-NO2(bridge). We believe that the framework of a site-specific modeling scheme presented here is ail important starting point for future site-specific microkinetic modeling. In particular, a definition and description of use of surface coverages, reaction rate coefficients, and computed reaction velocity matrices are presented. (c) 2005 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Disselkamp, RS (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, 3335 Q Ave,POB 999,MS K8-93, Richland, WA 99352 USA. EM robert.disselkamp@pnl.gov OI Peden, Charles/0000-0001-6754-9928 NR 33 TC 4 Z9 4 U1 1 U2 13 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB 15 PY 2006 VL 238 IS 1 BP 1 EP 5 DI 10.1016/j.jcat.2005.11.031 PG 5 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 012WZ UT WOS:000235372900001 ER PT J AU Robbins, MD Henderson, MA AF Robbins, MD Henderson, MA TI The partial oxidation of isobutene and propene on TiO2(110) SO JOURNAL OF CATALYSIS LA English DT Article DE TiO2(110); partial oxidation; temperature-programmed desorption; isobutene; propene ID MOLECULAR-OXYGEN; SELECTIVE OXIDATION; HYDROGEN-PEROXIDE; ALKENE EPOXIDATION; TITANIA CATALYSTS; KINETIC-ANALYSIS; FT-IR; SURFACE; O-2; PHASE AB General techniques for the partial oxidation of alkenes by molecular oxygen are a goal for surface science and catalysis research as they may lead to more efficient and environmentally friendly industrial processes. To better understand the thermal surface chemistry of metal oxides toward alkene partial oxidation, the interactions of isobutene and propene on TiO2(110) were studied using temperature-programmed desorption (TPD). Isobutene was found to adsorb and desorb molecularly below 250 K on the clean surface. With exposure to oxygen (> 1000 L) and unknown quantities of water (< 10 L), isobutene monolayers on TiO2(110) react to form products that include methacrolein and isobutanal, as well as a third product that has a C4H8O stoichiometry. We tentatively assign this species to 2,2-dimethyloxirane (isobutene oxide). Structural conservation within this family of products points to a common surface intermediate that we propose results from the addition of O from a hydrogen peroxo (HOO) species to the C=C bond of isobutene. This hydrogen peroxo (HOO) species forms from the reaction of physisorbed water and oxygen, assisted by partial charge transfer from the TiO2(110) substrate. Initial studies reveal a similar reaction pathway for the partial oxidation of propene on TiO2(110), yielding acetone and propanal. This work suggests that TiO2 surface sites on supported Au/TiO2 catalysts are active for partial oxidation of alkenes. (c) 2005 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. Univ Texas, SULI, Dept Energy, Off Sci, Austin, TX 78712 USA. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 48 TC 14 Z9 14 U1 2 U2 15 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB 15 PY 2006 VL 238 IS 1 BP 111 EP 121 DI 10.1016/j.jcat.2005.11.041 PG 11 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 012WZ UT WOS:000235372900013 ER PT J AU Henderson, MA White, JM Uetsuka, H Onishi, H AF Henderson, MA White, JM Uetsuka, H Onishi, H TI Selectivity changes during organic photooxidation on TiO2: Role of O-2 pressure and organic coverage SO JOURNAL OF CATALYSIS LA English DT Article DE TiO2; Tio(2)(110); trimethyl acetate; photocatalysis; photooxidation; reaction selectivity; STM; mass spectrometry ID PHOTOINDUCED REDOX REACTION; TIO2(110) SURFACE; HYDROGEN-PEROXIDE; TRIMETHYL ACETATE; MOLECULAR-OXYGEN; KOLBE REACTION; ACETIC-ACID; PHOTOCATALYSIS; SEMICONDUCTOR; TITANIA AB The selectivity of trimethyl acetate (TMA) photodecomposition on TiO2(1 10) as a function of O-2 pressure and TMA coverage was probed at room temperature (RT) using isothermal mass spectrometry (ISOMS) and scanning tunneling microscopy (STM). The selectivity of TMA photodecomposition on TiO2(110) is sensitive to the initial TMA coverage and O-2 pressure. TMA bridge-bonds to the surface via the carboxylate end of the molecule in a manner consistent with the binding of other carboxylate species (e.g., formate and acetate) on TiO2 surfaces. Under all conditions. photodecomposition of TMA was initiated via hole reaction with the electron in carboxylate's pi system, resulting in opening of the O-C-O bond angle and formation of CO2 and a t-butyl radical by cleavage of the C-C bond between these groups. The CO2 product desorbs from the surface at RT, but the t-butyl radical has several options for thermal chemistry. In ultrahigh vacuum (UHV), where the O-2 partial pressure is < 1 x 10(-10) Torr, the TMA photodecomposition results in a near 1:1 yield of isobutene (i-C4H8) and isobutane (i-C4H10) from surface chemistry of the t-butyl radicals. STM results show that the reaction occurs fairly homogeneously across the TiO2(110) surface. In the presence of O-2, the photodecomposition selectivity switches from initially i-C4H8 to a mixture of i-C4H8 and i-C4H10 and then back to predominately i-C4H8. The latter selectivity change occurs at the point at which void regions form and grow in the TMA overlayer. At this point, the photodecomposition rate accelerates and the reaction occurs preferentially at the interface between the TMA-rich and TMA-void regions on the surface. These results illustrate both the changing dynamics of a typical photooxidation reaction on TiO2 and also how factors such as O-2 pressure and TMA coverage impact the photooxidation reaction selectivity. We also present results that suggest the rate of photodecomposition of monodentate carboxylates is Greater than that of bidentate (bridging) carboxylates. This implies that the structural arrangement of Ti cation sites on the surface is an important issue that influences photocatalytic rates on TiO2. (c) 2005 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. KSP Sakado, Kanagawa Acad Sci & Technol, Surface Chem Lab, Takatsuki, Osaka 2130012, Japan. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MS K8-93, Richland, WA 99352 USA. EM ma.henderson@pnl.gov NR 28 TC 46 Z9 47 U1 1 U2 24 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD FEB 15 PY 2006 VL 238 IS 1 BP 153 EP 164 DI 10.1016/j.jcat.2005.12.004 PG 12 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 012WZ UT WOS:000235372900017 ER PT J AU Covey, C Gleckler, PJ Phillips, TJ Bader, DC AF Covey, Curt Gleckler, Peter J. Phillips, Thomas J. Bader, David C. TI Secular trends and climate drift in coupled ocean-atmosphere general circulation models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID SEA-ICE; INTERCOMPARISON PROJECT; SURFACE TEMPERATURE; FLUX ADJUSTMENTS; AIR-TEMPERATURE; SYSTEM MODEL; SIMULATION; VARIABILITY; ATLANTIC; VERSION AB [ 1] Coupled ocean-atmosphere general circulation models ( coupled GCMs) with interactive sea ice are the primary tool for investigating possible future global warming and numerous other issues in climate science. A long-standing problem with such models is that when different components of the physical climate system are linked together, the simulated climate can drift away from observation unless constrained by ad hoc adjustments to interface fluxes. However, 11 modern coupled GCMs, including three that do not employ flux adjustments, behave much better in this respect than the older generation of models. Surface temperature trends in control run simulations ( with external climate forcing such as solar brightness and atmospheric carbon dioxide held constant) are small compared with observed trends, which include 20th century climate change due to both anthropogenic and natural factors. Sea ice changes in the models are dominated by interannual variations. Deep ocean temperature and salinity trends are small enough for model control runs to extend over 1000 simulated years or more, but trends in some regions, most notably the Arctic, differ substantially among the models and may be problematic. Methods used to initialize coupled GCMs can mitigate climate drift but cannot eliminate it. Lengthy "spin-ups'' of models, made possible by increasing computer power, are one reason for the improvements this paper documents. C1 Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomp, Livermore, CA 94550 USA. RP Covey, C (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomp, Mail Code L-103, Livermore, CA 94550 USA. EM covey1@llnl.gov RI Gleckler, Peter/H-4762-2012; Bader, David/H-6189-2011 OI Gleckler, Peter/0000-0003-2816-6224; Bader, David/0000-0003-3210-339X NR 51 TC 13 Z9 13 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD FEB 15 PY 2006 VL 111 IS D13 AR D03107 DI 10.1029/2005JD006009 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 065ZW UT WOS:000239200000003 ER PT J AU Rest, J AF Rest, J TI Derivation of analytical expressions for the network dislocation density, change in lattice parameter, and for the recrystallized grain size in nuclear fuels SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID HIGH BURNUP UO2; IRRADIATION-INDUCED RECRYSTALLIZATION; TRANSMISSION ELECTRON-MICROSCOPY; RIM-STRUCTURE FORMATION; 7.9-PERCENT FIMA; MICROSTRUCTURE; TEMPERATURE; SUBDIVISION; BEHAVIOR; GROWTH AB At relatively high burn-up, both UO2 and U-10Mo nuclear fuels undergo irradiation-induced recrystallization wherein grains of micron size transform to grains of submicron size. Previously, expressions have been derived for the initiation, and for the progression of recrystallization as a function of fission density, fission rate, fuel temperature, and as-fabricated grain size. Here, analytical expressions are derived for the network dislocation density, change in lattice parameter, and the size of the recrystallized grains. The basic premise of the theory presented in this work is that irradiation-induced recrystallization is driven by the behavior of interstitial loops. It is demonstrated that these phenomena can be simulated in both UO2 and in U-xMo with the same theory.. albeit with various property differences. Results of the calculations are compared with available data. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Rest, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jrest@anl.gov NR 26 TC 17 Z9 17 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD FEB 15 PY 2006 VL 349 IS 1-2 BP 150 EP 159 DI 10.1016/j.jnucmat.2005.10.007 PG 10 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 014UK UT WOS:000235505600010 ER PT J AU Medvedev, PG Lambregts, MJ Meyer, MK AF Medvedev, PG Lambregts, MJ Meyer, MK TI Thermal conductivity and acid dissolution behavior of MgO-ZrO2 ceramics for use in LWR inert matrix fuel SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB Dual-phase MgO-ZrO2 ceramics are proposed for use in inert matrix fuel for disposition of plutonium and minor actinides in existing light water reactors. The concept for use of this composite material was developed with the intent to capitalize on the known advantages of the composite's constituents: high thermal conductivity of MgO, and stability of ZrO2 in LWR coolant. The study presented in this paper addressed the thermal conductivity and nitric acid solubility of MgO-ZrO2 ceramics. Thermal analysis, based on experimental and analytical techniques, established that the product of all investigated compositions has the thermal conductivity superior to that of UO2. Nitric acid dissolution experiments showed that only the free MgO phase dissolves in the nitric acid, leaving behind a porous pellet consisting of a ZrO2-based solid solution. Published by Elsevier B.V. C1 Idaho Natl Engn Lab, Nucl Fuels & Mat Dept, Idaho Falls, ID 83403 USA. RP Medvedev, PG (reprint author), Idaho Natl Engn Lab, Nucl Fuels & Mat Dept, Mat & Fuels Complex,POB 1625,MS 6000, Idaho Falls, ID 83403 USA. EM pavel.medvedev@inl.gov RI Bala, Marsha/I-4459-2016; OI Bala, Marsha/0000-0002-7936-416X; Meyer, Mitchell/0000-0002-1980-7862 NR 9 TC 19 Z9 19 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD FEB 15 PY 2006 VL 349 IS 1-2 BP 167 EP 177 DI 10.1016/j.jnucmat.2005.10.009 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 014UK UT WOS:000235505600012 ER PT J AU Haertling, C Hanrahan, RJ Smith, R AF Haertling, C Hanrahan, RJ Smith, R TI A literature review of reactions and kinetics of lithium hydride hydrolysis SO JOURNAL OF NUCLEAR MATERIALS LA English DT Review ID ION-BACKSCATTERING; WATER; LIH; LIOH; LI2O; DECOMPOSITION; SPECTROSCOPY; REFLECTANCE; HYDROXIDE; GAS AB Studies of lithium hydride (LiH) reactions with H2O are reviewed in this paper. We discuss reaction products that are formed and the reaction kinetics involved. For discussion purposes, the studies are roughly categorized as reactions between LiH and H2O in low and higher concentration regimes. as well as reactions between LiH hydrolysis products. Both LiH and H2O can exist in many structural or phase variations and can contain various impurities, all of which may affect products and kinetics. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Haertling, C (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87545 USA. EM chaert@lanl.gov RI Smith, Robert/A-2990-2009 NR 57 TC 27 Z9 30 U1 2 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD FEB 15 PY 2006 VL 349 IS 1-2 BP 195 EP 233 DI 10.1016/j.jnucmat.2005.10.005 PG 39 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 014UK UT WOS:000235505600015 ER PT J AU Forster, AM Mays, JW Kilbey, SM AF Forster, AM Mays, JW Kilbey, SM TI Effect of temperature on the frictional forces between polystyrene brushes SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS LA English DT Article DE fluctuations; polymer brush; shearing; surface forces ID POLYMER-BEARING SURFACES; SHEAR FORCES; BLOCK-COPOLYMERS; SOLVENT QUALITY; NANORHEOLOGY; POLY(2-VINYLPYRIDINE); MACROMOLECULES; SIMULATION; LIQUIDS; TOLUENE AB Normal and shear forces between opposing polystyrene (PS) brushes made from preferentially assembled PS-polyvinylpyridine diblock copolymers were measured in toluene and in near-theta cyclohexane at 32, 40, and 50 degrees C, using a modified surface forces apparatus. In cyclohexane, over the temperature window probed, the normal forces of interaction are repulsive and the range of those force profiles changes only slightly; however, for both of the PS brushes studied, the onset of shear forces in neartheta cyclohexane is strongly influenced by changes in temperature: As the temperature is increased, the onset of the frictional interactions between the brushes in cyclohexane shifts to smaller distances, approaching the distances where frictional forces are observed for brushes in the good solvent toluene. The pattern of behavior seen in the frictional response between the limits of good and theta condition is attributed to composition fluctuations, which increase near the theta condition because of the decrease in excluded volume interactions. These fluctuations may give rise to increased drag during shearing motion because of interfacial roughness or interchain coupling across the brush-brush interface. (c) 2006 Wiley Periodicals, Inc. C1 Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Kilbey, SM (reprint author), Clemson Univ, Dept Chem & Biomol Engn, Clemson, SC 29634 USA. EM mike.kilbey@ces.clemson.edu NR 27 TC 18 Z9 18 U1 3 U2 13 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-6266 J9 J POLYM SCI POL PHYS JI J. Polym. Sci. Pt. B-Polym. Phys. PD FEB 15 PY 2006 VL 44 IS 4 BP 649 EP 655 DI 10.1002/polb.20701 PG 7 WC Polymer Science SC Polymer Science GA 009CM UT WOS:000235088700002 ER PT J AU Bryantsev, VS Hay, BP AF Bryantsev, VS Hay, BP TI De novo structure-based design of bisurea hosts for tetrahedral oxoanion guests SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-FORCE FIELD; NITROBENZENE-WATER INTERFACE; ANION RECOGNITION; HYDROGEN-BONDS; CONFORMATIONAL ENERGIES; SYNTHETIC RECEPTORS; BINDING-SITES; MMFF94; UREA; COMPLEXATION AB This paper presents a computational approach to the deliberate design of improved host architectures. De novo molecule building software, HostDesigner, is interfaced with molecular mechanics software, GMMX, providing a tool for generating and screening millions of potential structures. The efficacy of this computer-aided design methodology is illustrated with a search for bisurea podands that are structurally organized for complexation with tetrahedral oxoanions. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Hay, BP (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM ben.hay@pnl.gov RI Bryantsev, Vyacheslav/M-5111-2016 OI Bryantsev, Vyacheslav/0000-0002-6501-6594 NR 70 TC 63 Z9 63 U1 0 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 15 PY 2006 VL 128 IS 6 BP 2035 EP 2042 DI 10.1021/ja056699w PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 014AX UT WOS:000235452200045 PM 16464105 ER PT J AU Spitsberg, I More, K AF Spitsberg, I More, K TI Effect of thermally grown oxide (TGO) microstructure on the durability of TBCs with PtNiAl diffusion bond coats SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE thermal barrier coatings; durability; thermally grown oxide; pre-oxidation displacement instability; oxide grain structure; microstructure; lateral oxide growth; ratcheting ID BARRIER COATINGS; OXIDATION BEHAVIOR; FAILURE MECHANISMS; CYCLIC OXIDATION; INSTABILITY; SCALE; FILMS; MODEL AB The role of pre-oxidation surface treatments on the oxide microstructure and the failure mechanism of multi-layer thermal barrier systems based on Pt-modified NiAl bond coats and electron beam deposited thermal barrier coatings (TBCs) have been studied. The primary pre-oxidation experimental variable was the partial pressure of oxygen in the pre-oxidizing atmosphere at constant temperature and bond coat composition. The durability of TBCs deposited on surfaces following different pre-oxidation treatments were measured and compared using furnace cycling tests. The oxide layers corresponding to different levels of TBC performance were characterized microstructurally, chemically, and compositionally using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) techniques. TBC performance was enhanced by the formation of a surface oxide having a coarse-grained columnar structure during the pre-oxidation process. Increased TBC durability was consistent with a slower oxide growth rate during exposure of the TBC to high-temperature, cyclic conditions, as was observed for this particular pre-oxidation condition. An oxide microstructure having fewer through-thickness transport pathways (grain boundaries) should also result in slower lateral oxide growth rates, consistent with a slowed rate of ratcheting as was observed in the pre-oxidized samples that had the best TBC performance. The desired surface oxide grain structure was achieved by pre-oxidizing the bond coat prior to TBC deposition at an intermediate partial pressure of oxygen. (c) 2005 Published by Elsevier B.V. C1 GE Aircraft Engines, Mat & Proc Engn Dept, Evendale, OH USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. EM irene.spitsberg@kennametal.com RI More, Karren/A-8097-2016 OI More, Karren/0000-0001-5223-9097 NR 28 TC 47 Z9 50 U1 2 U2 26 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD FEB 15 PY 2006 VL 417 IS 1-2 BP 322 EP 333 DI 10.1016/j.msea.2005.11.014 PG 12 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 014IR UT WOS:000235473700041 ER PT J AU Verbitskaya, E Eremin, V Ilyashenko, I Li, Z Harkonen, J Tuovinen, E Luukka, P AF Verbitskaya, E Eremin, V Ilyashenko, I Li, Z Harkonen, J Tuovinen, E Luukka, P TI Operation of heavily irradiated silicon detectors in non-depletion mode SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE silicon detectors; radiation hardness; charge collection efficiency; carrier trapping; electric field distribution ID ELECTRIC-FIELD DISTRIBUTION; RD48 ROSE COLLABORATION; RADIATION HARDNESS; N-EFF; NEUTRON; TRAPS AB The non-depletion detector operation mode has generally been disregarded as an option in high-energy physics experiments. In this paper, the non-depletion operation is examined by detailed analysis of the electric field distribution and the current pulse response of heavily irradiated silicon (Si) detectors. The previously reported model of double junction in heavily irradiated Si detector is further developed and a simulation of the current pulse response has been performed. It is shown that detectors can operate in a non-depletion mode due to the fact that the value of the electric field in a non-depleted region is high enough for efficient carrier drift. This electric field originates from the current flow through the detector and a consequent drop of the potential across high-resistivity bulk of a nondepleted region. It is anticipated that the electric field in a non-depleted region, which is still electrically neutral, increases with fluence that improves the non-depleted detector operation. Consideration of the electric field in a non-depleted region allows the explanation of the recorded double-peak current pulse shape of heavily irradiated Si detectors and definition of the requirements for the detector operational conditions. Detailed reconstruction of the electric field distribution gives new information on radiation effects in Si detectors. (c) 2005 Elsevier B.V. All rights reserved. C1 Russian Acad Sci, AF Ioffe Phys Tech Inst, St Petersburg, Russia. Brookhaven Natl Lab, Upton, NY 11973 USA. CERN PH, Helsinki Inst Phys, Geneva, Switzerland. RP Verbitskaya, E (reprint author), Russian Acad Sci, AF Ioffe Phys Tech Inst, St Petersburg, Russia. EM elena.verbitskaya@mail.ioffe.ru RI Verbitskaya, Elena/D-1521-2014; OI Luukka, Panja/0000-0003-2340-4641 NR 17 TC 13 Z9 13 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 528 EP 536 DI 10.1016/j.nima.2005.10.126 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300016 ER PT J AU Peters, J Champion, JDM Zsigmond, G Bordallo, HN Mezei, F AF Peters, J Champion, JDM Zsigmond, G Bordallo, HN Mezei, F TI Using Fermi choppers to shape the neutron pulse SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron instruments; Fermi chopper; Monte Carlo simulation packages ID TRANSMISSION PROBABILITY; REVOLVING SLIT AB This work is part of a series of papers [H.N. Bordallo, G. Zsigmond, J.D.M. Champion, Physica B 350 (2004) e717; J. Peters, Nucl. Instr. and Meth. A 540 (2005) 419] about benchmarking studies related to Fermi choppers (FC) used for pulse shaping of neutron scattering instruments. Here, we discuss the comparison of simulated and analytical results to experimental data of the pulse shape observed immediately after the FC in the High Energy Transfer (HET) instrument at ISIS. From the simulation side, there is a combination of a better moderator description, new absorbing B4C apertures and a new geometrical description of the FC that enhanced the original results [H.N. Bordallo, G. Zsigmond, J.D.M. Champion, Physica B 350 (2004) e717]. Besides, the analytical formalism, recently derived in [J. Peters, Nucl. Instr. and Meth. A 540 (2005) 419], is applied to the FC module of the Monte Carlo (MC) software package VITESS used in versions 2.5 and 2.5.1. The overall agreement is now very good. (c) 2005 Elsevier B.V. All rights reserved. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. Inst Max Von Laue Paul Langevin, Grenoble 9, France. Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA. RP Peters, J (reprint author), Hahn Meitner Inst Berlin GmbH, Glienicker Str 100, D-14109 Berlin, Germany. EM peters@hmi.de RI Bordallo, Heloisa/I-6836-2012; OI Bordallo, Heloisa/0000-0003-0750-0553; Peters, Judith/0000-0001-5151-7710 NR 11 TC 1 Z9 1 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 580 EP 584 DI 10.1016/j.nima.2005.11.111 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300024 ER PT J AU Semenov, AY Zhang, WM Madey, R Ahmidouch, A Anderson, BD Assamagan, K Avery, S Baldwin, AR Crowell, AS Eden, T Manley, DM Markowitz, P Milleret, G Prout, D Reichelt, T Semenova, IA Ulmer, PE Voutier, E Watson, JW Wells, SP AF Semenov, AY Zhang, WM Madey, R Ahmidouch, A Anderson, BD Assamagan, K Avery, S Baldwin, AR Crowell, AS Eden, T Manley, DM Markowitz, P Milleret, G Prout, D Reichelt, T Semenova, IA Ulmer, PE Voutier, E Watson, JW Wells, SP TI Calibration of a neutron polarimeter in the 0.2-1.1 GeV region SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron; polarimeter; scattering; efficiency; analyzing power ID ELECTRIC FORM-FACTOR; SPACE EVENT GENERATOR; EXCLUSIVE DEUTERON ELECTRODISINTEGRATION; MEDIUM-ENERGY NEUTRONS; POLARIZED ELECTRONS; PERFORMANCE; TARGET; REST AB We measured the analyzing power and the efficiency of a neutron polarimeter at the Saturne National Laboratory in France with central energies of the neutron beam of 261, 533, 752, 922, and 1057 MeV. This polarimeter was a prototype designed to measure G(E)(n), the neutron electric form factor, at the Thomas Jefferson National Accelerator Facility. (c) 2005 Elsevier B.V. All rights reserved. C1 Kent State Univ, Kent, OH 44242 USA. Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. Hampton Univ, Hampton, VA 23668 USA. Duke Univ, Durham, NC 27708 USA. Florida Int Univ, Miami, FL 33199 USA. Thomas Jefferson Univ, Natl Accelerat Facil, Newport News, VA 23606 USA. Lab Natl Saturne, F-91191 Gif Sur Yvette, France. Indiana Univ, Cyclotron Facil, Bloomington, IN 47408 USA. Univ Bonn, Inst Phys, D-53115 Bonn, Germany. Old Dominion Univ, Norfolk, VA 23529 USA. Lab Phys Subatom & Cosmol, F-38026 Grenoble, France. MIT, Cambridge, MA 02139 USA. RP Semenov, AY (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM semenov@jlab.org NR 27 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 585 EP 593 DI 10.1016/j.nima.2005.11.125 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300025 ER PT J AU Padovani, E Peerani, P Da Ros, M Pozzi, SA AF Padovani, E Peerani, P Da Ros, M Pozzi, SA TI Simulation of correlated counts from an Am-Li source SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Am-Li source; MCNP-PoliMi; correlation measurement; nuclear safeguards AB In this paper, we describe the implementation of a new source option in the Monte Carlo code MCNP-PoliMi. The code call be used to simulate time correlation measurements with neutrons and photons in plastic scintillation detectors. The new source describes the emission of neutrons and gamma-rays from an Am-Li (alpha, n) Source. The simulations performed with the modified MCNP-PoliMi code are compared to corresponding measurements, and the reasons for disagreement are identified and discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Politecn Milan, Dept Nucl Engn, I-20133 Milan, Italy. Joint Res Ctr, IPSC, I-21020 Ispra, Italy. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Padovani, E (reprint author), Politecn Milan, Dept Nucl Engn, Via Ponzio 34-3, I-20133 Milan, Italy. EM enrico.padovani@polimi.it NR 7 TC 5 Z9 5 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 599 EP 606 DI 10.1016/j.nima.2005.11.123 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300027 ER PT J AU Tan, CY AF Tan, CY TI Tune tracking with a PLL in the Tevatron SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Tevatron; tune tracker; tune tracking; PLL; phase-locked loop AB The Tevatron tune tracker is based on the idea that the phase of the transverse frequency response of the beam can be measured quickly and accurately enough so that the phase at the betatron tune resonance call be tracked by a phase-locked loop. In this paper, a mathematical model of this idea is discussed and is used as the basis for the realization of the tune tracker hardware. The tulle tracker has been successfully tested under different beam conditions and is now operational in the Tevatron. (c) 2005 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Accelerator Div Tevatron, Batavia, IL 60510 USA. RP Tan, CY (reprint author), Fermilab Natl Accelerator Lab, Accelerator Div Tevatron, POB 500,MS 341, Batavia, IL 60510 USA. EM cytan@fnal.gov NR 3 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 615 EP 620 DI 10.1016/j.nima.2005.11.157 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300029 ER PT J AU Toellner, TS Hu, MY Bortel, G Sturhahn, W Shu, D AF Toellner, TS Hu, MY Bortel, G Sturhahn, W Shu, D TI Four-reflection "nested" meV-monochromators for 20-30 keV synchrotron radiation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE high resolution; monochromator; synchrotron radiation; Eu; Sn; Dy ID NUCLEAR-RESONANCE SCATTERING AB We present the design and performance of three silicon high-resolution (E/Delta E approximate to 2-5 x 10(7)) monochromators for synchrotron radiation that work at energies corresponding to nuclear excited states in Eu-151 (21542 eV), Sn-119 (23 880 eV), and Dy-161 (25 651 eV). The design of each monochromator is quite similar with the exception of the silicon crystal reflections that are used and the surface asymmetry angles that are chosen. We give the basic design underlying all three monochromators along with a table of the specific parameters used for each one. Performance in terms of resolution and spectral efficiency are measured and compared to theoretical expectations. Measurements of lattice excitations in different solids containing the aforementioned isotopes demonstrate the utility of each monochromator. Possible improvements to performance are presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Toellner, TS (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM toellner@anl.gov NR 18 TC 15 Z9 15 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD FEB 15 PY 2006 VL 557 IS 2 BP 670 EP 675 DI 10.1016/j.nima.2005.11.114 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 014RT UT WOS:000235498300036 ER PT J AU Chan, HB Marcet, Z Woo, K Tanner, DB Carr, DW Bower, JE Cirelli, RA Ferry, E Klemens, F Miner, J Pai, CS Taylor, JA AF Chan, HB Marcet, Z Woo, K Tanner, DB Carr, DW Bower, JE Cirelli, RA Ferry, E Klemens, F Miner, J Pai, CS Taylor, JA TI Optical transmission through double-layer metallic subwavelength slit arrays SO OPTICS LETTERS LA English DT Article ID LIGHT TRANSMISSION; SURFACE-PLASMONS; HOLE ARRAYS; GRATINGS; RESONANCES; APERTURE AB We present measurements of transmission of infrared radiation through double-layer metallic grating structures. Each metal layer contains an array of subwavelength slits and supports transmission resonance in the absence of the other layer. The two metal layers are fabricated in close proximity to allow coupling of the evanescent field on individual layers. The transmission of the double layer is found to be surprisingly large at particular wavelengths, even when no direct line of sight exists through the structure as a result of the lateral shifts between the two layers. We perform numerical simulations using rigorous coupled wave analysis to explain the strong dependence of the peak transmission on the lateral shift between the metal layers. (c) 2006 Optical Society of America. C1 Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA. RP Chan, HB (reprint author), Univ Florida, Dept Phys, Gainesville, FL 32611 USA. EM hochan@phys.ufl.edu NR 21 TC 64 Z9 64 U1 0 U2 13 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD FEB 15 PY 2006 VL 31 IS 4 BP 516 EP 518 DI 10.1364/OL.31.000516 PG 3 WC Optics SC Optics GA 012PA UT WOS:000235350000030 PM 16496905 ER PT J AU Grilli, F Ashworth, SP Stavrev, S AF Grilli, F Ashworth, SP Stavrev, S TI Magnetization AC losses of stacks of YBCO coated conductors SO PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS LA English DT Article DE YBCO coated conductors; AC losses; FEM simulations ID NUMERICAL-ANALYSIS; STRIP; FIELD AB This paper presents a study of the magnetization AC loss characteristics of YBCO coated conductors arranged in vertical stacks, which is a common configuration in practical applications such as superconducting coils. The AC losses in applied external perpendicular field are investigated both experimentally and by means of finite-element method calculations. The numerical method is validated by comparison with experimental results, and is also used for calculation of the losses in cases for which our present experimental setup is not suitable due to physical constraints. It is shown that increasing the number of tapes in the stack leads to a decrease of the magnetization AC loss. The inter-tape spacing has been also varied in order to investigate its influence on the AC loss performance of the YBCO stacks. The calculated magnetic field and current density profiles are used to illustrate the loss differences in the various cases. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. Swiss Fed Inst Technol, Lab Nonlinear Syst, CH-1015 Lausanne, Switzerland. RP Grilli, F (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, POB 1663 MS T004, Los Alamos, NM 87545 USA. EM fgrilli@lanl.gov; ashworth@lanl.gov; svetlomir.stavrev@epfl.ch NR 7 TC 29 Z9 29 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4534 J9 PHYSICA C JI Physica C PD FEB 15 PY 2006 VL 434 IS 2 BP 185 EP 190 DI 10.1016/j.physc.2005.12.064 PG 6 WC Physics, Applied SC Physics GA 023YT UT WOS:000236162800012 ER PT J AU Pedelacq, JD Rho, BS Kim, CY Waldo, GS Lekin, TP Segelke, BW Rupp, B Hung, LW Kim, SI Terwilliger, TC AF Pedelacq, JD Rho, BS Kim, CY Waldo, GS Lekin, TP Segelke, BW Rupp, B Hung, LW Kim, SI Terwilliger, TC TI Crystal structure of a putative pyridoxine 5 '-phosphate oxidase (Rv2607) from Mycobacterium tuberculosis SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE pyridoxine 5 '-phosphate oxidase; pyridoxamine 5 '-phosphate oxidase; flavin mononucleotide; X-ray crystallography; Mycobacterium tuberculosis ID BRAIN PYRIDOXINE-5-PHOSPHATE OXIDASE; AUTOMATED STRUCTURE SOLUTION; X-RAY-STRUCTURE; ESCHERICHIA-COLI; DENSITY MODIFICATION; ANGSTROM RESOLUTION; PURIFICATION; CRYSTALLOGRAPHY; VITAMIN-B6; ALIGNMENT AB The three-dimensional structure of Rv2607, a putative pyridoxine 5'-phosphate oxidase (PNPOx) from Mycobacterium tuberculosis, has been determined by X-ray crystallography to 2.5 angstrom resolution. Rv2607 has a core domain similar to known PNPOx structures with a flavin mononucleotide (FMN) cofactor. Electron density for two FMN at the dimer interface is weak despite the bright yellow color of the protein solution and crystal. The shape and size of the putative binding pocket is markedly different from that of members of the PNPOx family, which may indicate some significant changes in the FMN binding mode of this protein relative to members of the family. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94551 USA. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. Seoul Natl Univ, Sch Agr Biotechnol, Seoul 151742, South Korea. RP Pedelacq, JD (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA. EM jpdlcq@lanl.gov RI Pedelacq, Jean-Denis/C-6053-2011; Terwilliger, Thomas/K-4109-2012; OI Terwilliger, Thomas/0000-0001-6384-0320; Kim, Chang-Yub/0000-0001-9353-5909; Hung, Li-Wei/0000-0001-6690-8458 FU NIGMS NIH HHS [P50 GM62410] NR 29 TC 15 Z9 21 U1 0 U2 1 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD FEB 15 PY 2006 VL 62 IS 3 BP 563 EP 569 DI 10.1002/prot.20824 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 010FK UT WOS:000235172100001 PM 16374842 ER PT J AU Robien, MA Bosch, J Buckner, FS Van Voorhis, WCE Worthey, EA Myler, P Mehlin, C Boni, EE Kalyuzhniy, O Anderson, L Lauricella, A Gulde, S Luft, JR DeTitta, G Caruthers, JM Hodgson, KO Soltis, M Zucker, F Verlinde, CLMJ Merritt, EA Schoenfeld, LW Hol, WGJ AF Robien, MA Bosch, J Buckner, FS Van Voorhis, WCE Worthey, EA Myler, P Mehlin, C Boni, EE Kalyuzhniy, O Anderson, L Lauricella, A Gulde, S Luft, JR DeTitta, G Caruthers, JM Hodgson, KO Soltis, M Zucker, F Verlinde, CLMJ Merritt, EA Schoenfeld, LW Hol, WGJ TI Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Plasmodium falciparum at 2.25 angstrom resolution reveals intriguing extra electron density in the active site SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE malaria; GAPDH; NAD; structural genomics; drug design ID STRUCTURE-BASED DESIGN; LEISHMANIA-MEXICANA; DRUG DESIGN; MOLECULAR GRAPHICS; ADENOSINE-ANALOGS; MALARIA PARASITE; PROTEIN; INHIBITORS; 2'-DEOXY-2'-(3-METHOXYBENZAMIDO)ADENOSINE; CRYSTALLIZATION AB The crystal structure of D-glyceraldehyde-3-phosphate dehydrogenase (PfGAPDH) from the major malaria parasite Plasmodium falciparum is solved at 2.25 angstrom resolution. The structure of PfGAPDH is of interest due to the dependence of the malaria parasite in infected human erythrocytes on the glycolytic pathway for its energy generation. Recent evidence suggests that PfGAPDH may also be required for other critical activities such as apical complex formation. The cofactor NAD(+) is bound to all four subunits of the tetrameric enzyme displaying excellent electron densities. In addition, in all four subunits a completely unexpected large island of extra electron density in the active site is observed, approaching closely the nicotinamide ribose of the NAD(+). This density is most likely the protease inhibitor AEBSF, found in maps from two different crystals. This putative AEBSF molecule is positioned in a crucial location and hence our structure, with expected and unexpected ligands bound, can be of assistance in lead development and design of novel antimalarials. C1 Univ Washington, Dept Biochem, SGPP, Seattle, WA 98195 USA. Univ Washington, Dept Med, Seattle, WA USA. Seattle Biomed Res Inst, Seattle, WA 98109 USA. Hauptman Woodward Med Res Inst, Buffalo, NY USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA. Univ Washington, Howard Hughes Med Inst, Seattle, WA 98195 USA. RP Hol, WGJ (reprint author), Univ Washington, Dept Biochem, SGPP, Seattle, WA 98195 USA. EM sgpp@u.washington.edu RI VERLINDE, CHRISTOPHE/J-5796-2013; Bosch, Jurgen/E-9370-2011 OI Bosch, Jurgen/0000-0002-2624-4105 FU NIGMS NIH HHS [1P50 GM64655-01] NR 47 TC 17 Z9 18 U1 0 U2 3 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD FEB 15 PY 2006 VL 62 IS 3 BP 570 EP 577 DI 10.1002/prot.20801 PG 8 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 010FK UT WOS:000235172100002 PM 16345073 ER PT J AU Raicevic, S Wright, JV Veljkovic, V Conca, JL AF Raicevic, S Wright, JV Veljkovic, V Conca, JL TI Theoretical stability assessment of uranyl phosphates and apatites: Selection of amendments for in situ remediation of uranium SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE uranium; apatite; remediation; cohesive energy; stability ID ION-ION INTERACTION; LEAD IMMOBILIZATION; CONTAMINATED SEDIMENTS; AQUEOUS-SOLUTIONS; MINERAL APATITE; HYDROXYAPATITE; SORPTION; STRONTIUM; METALS; SOILS AB Addition of an amendment or reagent to soil/sediment is a technique that can decrease mobility and reduce bioavailability of uranium (U) and other heavy metals in the contaminated site. According to data from literature and results obtained in field studies, the general mineral class of apatites was selected as a most promising amendment for in situ immobilization/ remediation of U. In this work we presented theoretical assessment of stability of U(VI) in four apatite systems (hydroxyapatite (HAP), North Carolina Apatite (NCA), Lisina Apatite (LA), and Apatite H) in order to determine an optimal apatite soil amendment which could be used for in situ remediation of uranium. In this analysis we used a theoretical criterion which is based on calculation of the ion-ion interaction potential, representing the main term of the cohesive energy of the matrix/ pollutant system. The presented results of this analysis indicate (i) that the mechanism of immobilization of U by natural apatites depends on their chemical composition and (ii) that all analyzed apatites represent, from the point of view of stability, promising materials which could be used in field remediation of U-contaminated sites. (c) 2005 Elsevier B.V. All rights reserved. C1 VINCA, Inst Nucl Sci, Radiat & Environm Protect Lab, Belgrade 11001, Serbia Monteneg. PIMS NW Inc, Richland, WA 99336 USA. VINCA, Inst Sci Nucl, Ctr Multidisciplinary Res & Engn, Belgrade 11001, Serbia Monteneg. Los Alamos Natl Lab, Carlsbad, NM 88220 USA. RP Raicevic, S (reprint author), VINCA, Inst Nucl Sci, Radiat & Environm Protect Lab, POB 522, Belgrade 11001, Serbia Monteneg. EM raich@beotel.yu NR 52 TC 25 Z9 26 U1 0 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD FEB 15 PY 2006 VL 355 IS 1-3 BP 13 EP 24 DI 10.1016/j.scitotenv.2005.03.006 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA 014VM UT WOS:000235508500002 PM 15885755 ER PT J AU Tuccillo, ME AF Tuccillo, ME TI Size fractionation of metals in runoff from residential and highway storm sewers SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE stormwater; copper; zinc; size fractionation; colloids; dissolved metals ID HEAVY-METALS; ORGANIC-COMPOUNDS; TRACE-ELEMENTS; WATER-QUALITY; SEDIMENT; COLLOIDS; COPPER; ADSORPTION; SPECIATION; TRANSPORT AB Stormwater sampling for particulate, colloidal, and dissolved metals was conducted for several storms at six outfalls in Monmouth County, NJ. Samples were initially sequentially filtered through 5 mu m, 0.45 mu m, and 10 kDa filters. Of the heavy metals, Cu and Zn were mostly either dissolved (< 10 kDa) (20-100%) or in the particulate size fractions > 5 mu m (0-70%). Pb and Cr were associated exclusively with particles > 5 mu m in size. Fe, Al, and Si were found mostly in larger size fractions (> 70%), with smaller amounts 0.45-5 gm in size. Preliminary data from a small set of samples passed through coarser filters suggested that metals may actually be largely associated with particles larger than 20 mu m. Variable and sometimes large dissolved fractions of Cu and Zn can contribute to erratic metals removal by structural best management practices (e.g., wet ponds, detention basins). The size fractionation of stormwater constituents has implications for the design and performance of stormwater control structures and the aquatic toxicity risks posed by the metals. The results demonstrate the importance of obtaining particle size data when planning stormwater treatment. (c) 2005 Elsevier B.V. All rights reserved. C1 US EPA, Urban Watershed Management Branch, Edison, NJ 08837 USA. Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Tuccillo, ME (reprint author), US EPA, Urban Watershed Management Branch, 2890 Woodbridge Ave, Edison, NJ 08837 USA. EM metuccillo@yahoo.com NR 48 TC 45 Z9 55 U1 3 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD FEB 15 PY 2006 VL 355 IS 1-3 BP 288 EP 300 DI 10.1016/j.scitotenv.2005.03.003 PG 13 WC Environmental Sciences SC Environmental Sciences & Ecology GA 014VM UT WOS:000235508500025 PM 15896825 ER PT J AU Quinn, JJ Tomasko, D Kuiper, JA AF Quinn, JJ Tomasko, D Kuiper, JA TI Modeling complex flow in a karst aquifer SO SEDIMENTARY GEOLOGY LA English DT Article DE mixed-flow karst; Malm Formation; groundwater modeling; conduits; Hohenfels ID REGIONAL-SCALE TRANSPORT; GROUNDWATER-FLOW; SYSTEM AB Carbonate aquifers typically have complex groundwater flow patterns that result from depositional heterogeneities and post-lithification fracturing and karstification. Various sources of information may be used to build a conceptual understanding of flow in the system.. including drilling data, well tests, geophysical surveys, tracer tests, and spring gaging. These data were assembled to model flow numerically in Germany's Malm Formation, at a site where water disappears from the beds of ephemeral stream valleys, flows through conduit systems, and discharges to springs along surface water features. Modeling was performed by using a finite-difference approach, with drain networks, representing the conduit component of flow, laced throughout the porous medium along paths inferred on the basis of site data. This approach represents an improvement over other karst models that attempt to represent a conduit by a single, specialized model node at the spring location or by assigning a computationally problematic extremely high permeability to a zone. By handling the conduit portion of this mixed-flow system with drains, a realistic, interpretive flow model was created for this intricate aquifer. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Environm Sci Div, Argonne, IL 60439 USA. RP Quinn, JJ (reprint author), Argonne Natl Lab, Environm Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM quinnj@anl.gov NR 38 TC 28 Z9 30 U1 3 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0037-0738 J9 SEDIMENT GEOL JI Sediment. Geol. PD FEB 15 PY 2006 VL 184 IS 3-4 BP 343 EP 351 DI 10.1016/j.sedgeo.2005.11.009 PG 9 WC Geology SC Geology GA 012BF UT WOS:000235312500011 ER PT J AU Santala, MK Glaeser, AM AF Santala, MK Glaeser, AM TI Surface-energy-anisotropy-induced orientation effects on Rayleigh instabilities in sapphire SO SURFACE SCIENCE LA English DT Article DE aluminum oxide; lithography; single crystal surfaces; surface energy (anisotropy); Rayleigh instabilities; surface waves-capillary waves; surface structure; morphology; roughness and topography; faceting ID TEMPERATURE MORPHOLOGICAL EVOLUTION; ION-IMPLANTED SAPPHIRE; PORE SHAPE EVOLUTION; CRACK-LIKE FLAWS; WULFF SHAPE; MICRODESIGNED INTERFACES; ALUMINA; SPHEROIDIZATION; DIFFUSION; STABILITY AB Arrays of controlled-geometry, semi-infinite pore channels of systematically varied crystallographic orientation were introduced into undoped m-plane (10 (1) over bar0) sapphire substrates using microfabrication techniques and ion-beam etching and subsequently internalized by solid-state diffusion bonding. A series of anneals at 1700 degrees C caused the breakup of these channels into discrete pores via Rayleigh instabilities. In all cases, channels broke up with a characteristic wavelength larger than that expected for a material with isotropic surface energy, reflecting stabilization effects due to surface-energy anisotropy. The breakup wavelength and the time required for complete breakup varied significantly with channel orientation. For most orientations, the instability wavelength for channels of radius R was in the range of 13.2R-25R, and complete breakup occurred within 2-10 h. To first order, the anneal times for complete breakup scale with the square of the breakup wavelength. Channels oriented along a < 11 (2) over bar0 > direction had a wavelength of approximate to 139R, and required 468 h for complete breakup. Cross-sectional analysis of channels oriented along a < 11 (2) over bar0 > direction showed the channel to be completely bounded by stable c(0001), r{(1) over bar 012}, and s{10 (1) over bar1} facets. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ceram Sci Program, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ceram Sci Program, Berkeley, CA 94720 USA. RI Santala, Melissa/K-6871-2013; OI Santala, Melissa/0000-0002-5189-5153 NR 43 TC 13 Z9 13 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB 15 PY 2006 VL 600 IS 4 BP 782 EP 792 DI 10.1016/j.susc.2005.11.038 PG 11 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 017WH UT WOS:000235723500006 ER PT J AU Shanahan, KL AF Shanahan, KL TI Reply to "Comment on papers by K. Shanahan that propose to explain anomalous heat generated by cold fusion" SO THERMOCHIMICA ACTA LA English DT Article DE cold fusion; calorimetry; error ID THERMAL-BEHAVIOR; CODEPOSITION; ELECTROLYSIS; CELLS AB Dr. E. Storms has published a Letter [E. Storms, Comment on papers by K. Shanahan that propose to explain anomalous heat generated by cold fusion, Thermochim. Acta, in press] in which he argues that in a sequence of recent papers, the apparent excess heat signal claimed by Dr. Shanahan to arise from a calibration constant shift is actually true excess heat. In particular he proposes that the mechanisms proposed that foster the proposed calibration constant shifts cannot occur as postulated for several reasons. As well, he proposes Shanahan has ignored the extant data proving this. Because this Letter may lend unwarranted support to acceptance of cold fusion claims, these erroneous arguments used by Storms need to be answered. (C) 2005 WSRC. Published by Elsevier B.V. All rights reserved. C1 Savannah River Natl Lab, Aiken, SC 29808 USA. RP Shanahan, KL (reprint author), Savannah River Natl Lab, 29801, Aiken, SC 29808 USA. EM kirk.shanahan@srnl.doe.gov NR 10 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0040-6031 J9 THERMOCHIM ACTA JI Thermochim. Acta PD FEB 15 PY 2006 VL 441 IS 2 BP 210 EP 214 DI 10.1016/j.tca.2005.11.029 PG 5 WC Thermodynamics; Chemistry, Analytical; Chemistry, Physical SC Thermodynamics; Chemistry GA 013NX UT WOS:000235417100019 ER PT J AU Wang, SS Eisenberg, D AF Wang, SS Eisenberg, D TI Crystal structure of the pantothenate synthetase from Mycobacterium tuberculosis snapshots of the enzyme in action SO BIOCHEMISTRY LA English DT Article ID TRANSFER RNA-SYNTHETASES; CYTIDYLYLTRANSFERASE SUPERFAMILY; COLI; INTERMEDIATE; REFINEMENT; RESIDUES; SEQUENCE; PROGRAM; SITE AB Pantothenate synthetase (PS) from Mycobacterium tuberculosis represents a potential target for antituberculosis drugs. PS catalyzes the ATP-dependent condensation of pantoate and beta-alanine to form pantothenate. Previously, we determined the crystal structure of PS from M. tuberculosis and its complexes with AMPCPP, pantoate, and pantoyl adenylate. Here, we describe the crystal structure of this enzyme complexed with AMP and its last substrate, beta-alanine, and show that the phosphate group of AMP serves as an anchor for the binding of beta-alanine. This structure confirms that binding of beta-alanine in the active site cavity can occur only after formation of the pantoyl adenylate intermediate. A new crystal form was also obtained; it displays the flexible wall of the active site cavity in a conformation incapable of binding pantoate. Soaking of this crystal form with ATP and pantoate gives a fully occupied complex of PS with ATP. Crystal structures of these complexes with substrates, the reaction intermediate, and the reaction product AMP provide a step-by-step view of the PS-catalyzed reaction. A detailed reaction mechanism and its implications for inhibitor design are discussed. C1 Publ Hlth Res Inst, Newark, NJ 07103 USA. Univ Calif Los Angeles, Howard Hughes Med Inst, UCLA DOE Inst Genom & Proteom, Inst Mol Biol, Los Angeles, CA 90095 USA. RP Wang, SS (reprint author), Publ Hlth Res Inst, 225 Warren St, Newark, NJ 07103 USA. EM shuishu@phri.org FU NIGMS NIH HHS [GM 62410] NR 24 TC 31 Z9 35 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD FEB 14 PY 2006 VL 45 IS 6 BP 1554 EP 1561 DI 10.1021/bi051873e PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 016PE UT WOS:000235631400003 PM 16460002 ER PT J AU Higashimoto, Y Asanomi, Y Takakusagi, S Lewis, MS Uosaki, K Durell, SR Anderson, CW Appella, E Sakaguchi, K AF Higashimoto, Y Asanomi, Y Takakusagi, S Lewis, MS Uosaki, K Durell, SR Anderson, CW Appella, E Sakaguchi, K TI Unfolding, aggregation, and amyloid formation by the tetramerization domain from mutant p53 associated with lung cancer SO BIOCHEMISTRY LA English DT Article ID TUMOR-SUPPRESSOR P53; PROTEIN SECONDARY STRUCTURE; FIBRIL FORMATION; OLIGOMERIZATION DOMAIN; MOLECULAR-BASIS; LI-FRAUMENI; ALPHA-HELIX; CORE DOMAIN; BETA-SHEET; MUTATIONS AB The p53 tumor suppressor is a tetrameric transcriptional enhancer, and its activity is compromised by mutations that cause amino acid substitutions in its tetramerization domain. Here we analyze the biochemical and biophysical properties of peptides corresponding to amino acids 319-358 of wild-type human p53, which includes the tetramerization domain, and that of a cancer-derived mutant with valine substituted for glycine 334. Unlike the wild-type peptide, the G334V peptide forms amyloid fibrils by a two-step process under physiological conditions of temperature and pH. Nevertheless, the G334V peptide is capable of forming heterooligomers with a wild-type peptide. Computational modeling of the G334V peptide structure suggests that substitution of valine for glycine 334 causes a local distortion that contributes to a P-dominated structural transition leading to amyloid formation. Since the distortion is mostly on the surface, the mutant peptide is still able to form a pseudonative tetramer complex at higher concentrations and/or lower temperatures. Our study suggests a new potential mechanism by which mutations that compromise tetramer formation inactivate p53 as a tumor suppressor. C1 Hokkaido Univ, Div Chem, Grad Sch Sci, Sapporo, Hokkaido 0600810, Japan. Kurume Univ, Sch Med, Dept Biochem Med, Kurume, Fukuoka 8300011, Japan. NIH, Mol Interact Resource, Div Bioengn & Phys Sci, Off Res Serv,Off Director, Bethesda, MD 20892 USA. NIH, Canc Res Ctr, Nanobiol Program, Bethesda, MD 20892 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. NCI, Cell Biol Lab, NIH, Bethesda, MD 20892 USA. RP Sakaguchi, K (reprint author), Hokkaido Univ, Div Chem, Grad Sch Sci, Sapporo, Hokkaido 0600810, Japan. EM kazuyasu@sci.hokudai.ac.jp RI Uosaki, Kohei/A-8217-2008; Takakusagi, Satoru/A-6953-2012 OI Uosaki, Kohei/0000-0001-8886-3270; Takakusagi, Satoru/0000-0002-4095-172X FU Intramural NIH HHS [Z01 BC005599-17] NR 60 TC 29 Z9 30 U1 2 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD FEB 14 PY 2006 VL 45 IS 6 BP 1608 EP 1619 DI 10.1021/bi051192j PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 016PE UT WOS:000235631400009 PM 16460008 ER PT J AU Roberts, AG Diaz, MD Lampe, JN Shireman, LM Grinstead, JS Dabrowski, MJ Pearson, JT Bowman, MK Atkins, WM Campbell, AP AF Roberts, AG Diaz, MD Lampe, JN Shireman, LM Grinstead, JS Dabrowski, MJ Pearson, JT Bowman, MK Atkins, WM Campbell, AP TI NMR studies of ligand binding to P450(ery)F provides insight into the mechanism of cooperativity SO BIOCHEMISTRY LA English DT Article ID CYTOCHROME P450ERYF; ERYTHROMYCIN BIOSYNTHESIS; HOMOTROPIC COOPERATIVITY; BIOCHEMICAL PATHWAYS; SUBSTRATE OXIDATION; EXCHANGE PROCESSES; CRYSTAL-STRUCTURES; LIVER MICROSOMES; ACTIVE-SITE; HIGH-SPIN AB Cytochrome P450's (P450's) catalyze the oxidative metabolism of most drugs and toxins. Although extensive studies have proven that some P450's demonstrate both homotropic and heterotropic cooperativity toward a number of substrates, the mechanistic and molecular details of P450 allostery are still not well-established. Here, we use UV/vis and heteronuclear nuclear magnetic resonance (NMR) spectroscopic techniques to study the mechanism and thermodynamics of the binding of two 9-amino-phenanthrene (9-AP) and testosterone (TST) molecules to the erythromycin-metabolizing bacterial P450(eryF). UV/vis absorbance spectra of P450(eryF) demonstrated that binding occurs with apparent negative homotropic cooperativity for TST and positive homotropic cooperativity for 9-AP with Hill-equation-derived dissociation constants of Ks = 4 and 200 mu M, respectively. The broadening and shifting observed in the 2D-{H-1, N-15}-HSQC-monitored titrations of N-15-Phe-labeled P450(eryF) with 9-AP and TST indicated binding on intermediate and fast chemical exhange time scales, respectively, which was consistent with the Hill-equation-derived Ks values for these two ligands. Regardless of the type of spectral perturbation observed (broadening for 9-AP and shifting for TST), the N-15-Phe NMR resonances most affected were the same in each titration, suggesting that the two ligands "contact" the same phenylalanines within the active site of P450,,,F. This finding is in agreement with X-ray crystal structures of bound P450(eryF) showing different ligands occupying similar active-site niches. Complex spectral behavior was additionally observed for a small collection of resonances in the TST titration, interpreted as multiple binding modes for the low-affinity TST molecule or multiple TST-bound P450(eryF) conformational substates. A structural and energetic model is presented that combines the energetics and structural aspects of 9-AP and TST binding derived from these observations. C1 Univ Washington, Sch Pharm, Dept Med Chem, Seattle, WA 98195 USA. Battelle NW Labs, Richland, WA 99352 USA. RP Campbell, AP (reprint author), Univ Washington, Sch Pharm, Dept Med Chem, Box 357610, Seattle, WA 98195 USA. EM apc@u.washington.edu RI Bowman, Michael/F-4265-2011 OI Bowman, Michael/0000-0003-3464-9409 FU NIGMS NIH HHS [GM-32165, GM61904] NR 45 TC 18 Z9 18 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD FEB 14 PY 2006 VL 45 IS 6 BP 1673 EP 1684 DI 10.1021/bi0518895 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 016PE UT WOS:000235631400015 PM 16460014 ER PT J AU Forst, CV Flamm, C Hofacker, IL Stadler, PF AF Forst, CV Flamm, C Hofacker, IL Stadler, PF TI Algebraic comparison of metabolic networks, phylogenetic inference, and metabolic innovation SO BMC BIOINFORMATICS LA English DT Article ID ART. NO. 8; GENOMIC PERSPECTIVE; GENE CONTENT; PATHWAYS; EVOLUTION; DEFINITION; ORGANISMS; ALIGNMENT; DISTANCE AB Background: Comparison of metabolic networks is typically performed based on the organisms' enzyme contents. This approach disregards functional replacements as well as orthologies that are misannotated. Direct comparison of the structure of metabolic networks can circumvent these problems. Results: Metabolic networks are naturally represented as directed hypergraphs in such a way that metabolites are nodes and enzyme-catalyzed reactions form (hyper) edges. The familiar operations from set algebra (union, intersection, and difference) form a natural basis for both the pairwise comparison of networks and identification of distinct metabolic features of a set of algorithms. We report here on an implementation of this approach and its application to the procaryotes. Conclusion: We demonstrate that metabolic networks contain valuable phylogenetic information by comparing phylogenies obtained from network comparisons with 16S RNA phylogenies. The algebraic approach to metabolic networks is suitable to study metabolic innovations in two sets of organisms, free living microbes and Pyrococci, as well as obligate intracellular pathogens. C1 Univ Vienna, Dept Theoret Chem, A-1090 Vienna, Austria. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Leipzig, Dept Comp Sci, Bioinformat Grp, D-04107 Leipzig, Germany. Univ Leipzig, Interdisciplinary Ctr Bioinformat, D-04107 Leipzig, Germany. Santa Fe Inst, Santa Fe, NM 87501 USA. RP Flamm, C (reprint author), Univ Vienna, Dept Theoret Chem, Wahringerstr 17, A-1090 Vienna, Austria. EM chris@lanl.gov; xtof@tbi.univie.ac.at; ivo@tbi.univie.ac.at; peter.stadler@bioinf.uni-leipzig.de RI Hofacker, Ivo/A-2378-2013; Stadler, Peter F./L-7857-2015; OI Hofacker, Ivo/0000-0001-7132-0800; Stadler, Peter F./0000-0002-5016-5191; Flamm, Christoph/0000-0001-5500-2415 NR 31 TC 27 Z9 28 U1 0 U2 2 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD FEB 14 PY 2006 VL 7 AR 67 DI 10.1186/1471-2105-7-67 PG 11 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 050UQ UT WOS:000238114600001 PM 16478540 ER PT J AU Palmroth, M Janhunen, P Pulkkinen, TI AF Palmroth, Minna Janhunen, Pekka Pulkkinen, Tuija I. TI Hysteresis in solar wind power input to the magnetosphere SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID GLOBAL MHD SIMULATION; MAGNETIC-FIELD; ENERGY INPUT; MODEL; RECONNECTION; MAGNETOPAUSE AB We examine the clock angle dependence of the solar wind power input into the magnetosphere using the Grand Unified Magnetosphere Ionosphere Coupling Simulation (GUMICS-4). We compute the power input through the magnetopause systematically in four events where the solar wind parameters are otherwise kept constant, but the interplanetary magnetic field ( IMF) clock angle theta is rotated from 0 degrees to 360 degrees. We find that when the clock angle rotates from north to south, the power input is well represented by sin(2)(theta/2). However, during the return rotation from south to north, the power input in the simulation remains enhanced longer than a sin(2)(theta/2) dependence would indicate. We suggest that the enhanced energy input during the return rotation may be a consequence of the nature of the reconnection process at the magnetopause. C1 Finnish Meteorol Inst, FIN-00101 Helsinki, Finland. Univ Helsinki, Dept Phys Sci, Helsinki, Finland. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Palmroth, M (reprint author), Finnish Meteorol Inst, POB 503, FIN-00101 Helsinki, Finland. EM minna.palmroth@fmi.fi; pekka.janhunen@fmi.fi; tuija@lanl.gov RI Pulkkinen, Tuija/D-8403-2012 OI Pulkkinen, Tuija/0000-0002-6317-381X NR 12 TC 18 Z9 18 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD FEB 14 PY 2006 VL 33 IS 3 AR L03107 DI 10.1029/2005GL025188 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 065ZO UT WOS:000239199200004 ER PT J AU Dang, LX Chang, TM Roeselova, M Garrett, BC Tobias, DJ AF Dang, LX Chang, TM Roeselova, M Garrett, BC Tobias, DJ TI On NO3--H2O interactions in aqueous solutions and at interfaces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Letter ID MOLECULAR-DYNAMICS C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Univ Wisconsin Parkside, Dept Chem, Kenosha, WI 53141 USA. Acad Sci Czech Republ, Inst Organ Chem & Biochem, Ctr Biomol & Complex Mol Syst, CR-16610 Prague, Czech Republic. Univ Calif Irvine, Environm Mol Sci Inst, Irvine, CA 92697 USA. Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM liem.dang@pnl.gov RI Garrett, Bruce/F-8516-2011; Roeselova, Martina/B-1029-2012; Tobias, Douglas/B-6799-2015 NR 15 TC 41 Z9 41 U1 0 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 14 PY 2006 VL 124 IS 6 AR 066101 DI 10.1063/1.2171375 PG 3 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012AA UT WOS:000235309400056 PM 16483244 ER PT J AU Sheehan, SM Meloni, G Parsons, BF Wehres, N Neumark, DM AF Sheehan, SM Meloni, G Parsons, BF Wehres, N Neumark, DM TI Spectroscopic characterization of the ground and low-lying electronic states of Ga2N via anion photoelectron spectroscopy SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; STRUCTURE LASER-DIODES; GROUP-III NITRIDES; POLYATOMIC CLUSTERS; PHOSPHIDE CLUSTERS; 1ST PRINCIPLES; BASIS-SETS; GAN; ATOMS; IONIZATION AB Anion photoelectron spectra of Ga2N- were measured at photodetachment wavelengths of 416 nm(2.978 eV), 355 nm(3.493 eV), and 266 nm(4.661 eV). Both field-free time-of-flight and velocity-map imaging methods were used to collect the data. The field-free time-of-flight data provided better resolution of the features, while the velocity-map-imaging data provided more accurate anisotropy parameters for the peaks. Transitions from the ground electronic state of the anion to two electronic states of the neutral were observed and analyzed with the aid of electronic structure calculations and Franck-Condon simulations. The ground-state band was assigned to a transition between linear ground states of Ga2N-(X (1)Sigma(g)(+)) and Ga2N(X (2)Sigma(u)(+)), yielding the electron affinity of Ga2N, 2.506 +/- 0.008 eV. Vibrationally resolved features in the ground-state band were assigned to symmetric and antisymmetric stretch modes of Ga2N, with the latter allowed by vibronic coupling to an excited electronic state. The energy of the observed excited neutral state agrees with that calculated for the A (2)Pi(u) state, but the congested nature of this band in the photoelectron spectrum is more consistent with a transition to a bent neutral state. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. 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 NR 45 TC 17 Z9 17 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 14 PY 2006 VL 124 IS 6 AR 064303 DI 10.1063/1.2159492 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012AA UT WOS:000235309400015 PM 16483203 ER PT J AU Takahashi, O Odelius, M Nordlund, D Nilsson, A Bluhm, H Pettersson, LGM AF Takahashi, O Odelius, M Nordlund, D Nilsson, A Bluhm, H Pettersson, LGM TI Auger decay calculations with core-hole excited-state molecular-dynamics simulations of water SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID FUNCTIONAL THEORY CALCULATIONS; AB-INITIO CALCULATION; RESONANT RAMAN; FEMTOSECOND DISSOCIATION; THEORETICAL SIMULATION; BOND-DISSOCIATION; SPECTRA; ELECTRON; EXCITATION; MODEL AB We report a new theoretical procedure for calculating Auger decay transition rates including effects of core-hole excited-state dynamics. Our procedure was applied to the normal and first resonant Auger processes of gas-phase water and compared to high-resolution experiments. In the normal Auger decay, calculated Auger spectra were found to be insensitive to the dynamics, while the repulsive character of the first resonant core-excited state makes the first resonantly excited Auger decay spectra depend strongly on the dynamics. The ultrafast dissociation of water upon O(1s)-> 4a(1) excitation was analyzed and found to be very sensitive to initial vibrational distortions in the ground state which furthermore affect the excitation energy. Our calculated spectra reproduce the experimental Auger spectra except for the Franck-Condon vibrational structure which is not included in the procedure. We found that the Auger decay of OH and O fragments contributes to the total intensity, and that the contribution from these fragments increases with increasing excitation energy. C1 Hiroshima Univ, Dept Chem, Higashihiroshima 7398526, Japan. Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Takahashi, O (reprint author), Hiroshima Univ, Dept Chem, Higashihiroshima 7398526, Japan. EM shu@hiroshima-u.ac.jp RI Nordlund, Dennis/A-8902-2008; Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Pettersson, Lars/J-4925-2013; Odelius, Michael/A-7628-2014 OI Nordlund, Dennis/0000-0001-9524-6908; Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Odelius, Michael/0000-0002-7023-2486 NR 48 TC 33 Z9 33 U1 0 U2 14 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 14 PY 2006 VL 124 IS 6 AR 064307 DI 10.1063/1.2166234 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 012AA UT WOS:000235309400019 PM 16483207 ER PT J AU Lin, YH Cui, XL AF Lin, YH Cui, XL TI Electrosynthesis, characterization, and application of novel hybrid materials based on carbon nanotube-polyaniline-nickel hexacyanoferrate nanocomposites SO JOURNAL OF MATERIALS CHEMISTRY LA English DT Article ID SWITCHED ION-EXCHANGE; PRUSSIAN BLUE NANOCLUSTERS; COBALT HEXACYANOFERRATE; ELECTROCATALYTIC PROPERTIES; SUPERCRITICAL-FLUID; MODIFIED ELECTRODE; PLATINUM NANOPARTICLES; AMPEROMETRIC DETECTION; OPERATIONAL STABILITY; GLUCOSE BIOSENSOR AB Incorporating nanoclusters of nickel hexacyanoferrates (NiHCF) onto a porous polyaniline (PANI)-carbon nanotube (CNT) matrix provides a novel class of hybrid materials with a good ion exchange capacity, high stability, and selectivity for caesium ions. The CNT-PANI-NiHCF nanocomposite films have been synthesized by step-by-step electrodeposition on glassy carbon electrodes and characterized with cyclic voltarnmetry (CV), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) techniques. CV and XPS investigations confirmed the formation of PANI and NiHCF on the surface of CNTs. The microstructure of NiHCF hybrid materials was characterized by SEM and TEM; the size of NiHCF particles is approximately 20 to 50 nm. The porous high surface area CNT matrix provides a high loading capacity for the deposition of NiHCF nanoparticles, while the PANI thin-film further stabilizes the nanoparticles. The selectivity for caesium ion adsorption of the hybrid materials was investigated. The high selectivity for caesium provides a basis for the development of a novel electrochemical ion exchange process for the treatment of nuclear waste and radioactive caesium contaminated waters. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 53 TC 39 Z9 47 U1 8 U2 44 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0959-9428 J9 J MATER CHEM JI J. Mater. Chem. PD FEB 14 PY 2006 VL 16 IS 6 BP 585 EP 592 DI 10.1039/b510947g PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 014BC UT WOS:000235452700014 ER PT J AU Diamant, R Sharon, R Caliebe, WA Kao, CC Deutsch, M AF Diamant, R Sharon, R Caliebe, WA Kao, CC Deutsch, M TI Structure of the Co and FeK alpha(3,4) satellite spectra SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID X-RAY-SATELLITES; K-EMISSION-SPECTRUM; HEAVY-ION COLLISIONS; LOW-Z ATOMS; ENERGY SHIFTS; HYPERSATELLITE SPECTRA; DOUBLE PHOTOIONIZATION; SHELL PHOTOIONIZATION; VACANCY-PRODUCTION; ELECTRON-IMPACT AB The K alpha(3,4) satellite spectra, originating in the [1s2p](-1) -> [2p](-2) transition, were measured with high resolution for Co and Fe, using photoexcitation by tunable monochromatized synchrotron radiation. Fits to a phenomenological sum of Voigt functions and to ab initio relativistic Dirac-Fock-calculated spectra resolved the structure underlying the spectra. The dependence of the satellites' intensity on the excitation energy yielded accurate values for the excitation thresholds. The shake-theory-based Thomas model was found to deviate from the measured intensities, indicating near-threshold major contributions from non-shake excitation processes, such as the knockout, or 'two step one', effect. C1 Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Deutsch, M (reprint author), Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. EM deutsch@mail.biu.ac.il NR 66 TC 3 Z9 3 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD FEB 14 PY 2006 VL 39 IS 3 BP 651 EP 667 DI 10.1088/0953-4078/39/3/018 PG 17 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 037FN UT WOS:000237132600019 ER PT J AU Piech, M George, MC Bell, NS Braun, PV AF Piech, M George, MC Bell, NS Braun, PV TI Patterned colloid assembly by grafted photochromic polymer layers SO LANGMUIR LA English DT Article ID TRANSFER RADICAL POLYMERIZATION; RANDOM SEQUENTIAL ADSORPTION; BLOCK-COPOLYMERS; PHOTORESPONSIVE POLYMERS; DEPOSITION; SURFACES; CRYSTALS; GROWTH; CRYSTALLIZATION; SPIROPYRAN AB Quartz surfaces and colloidal silica particles were derivatized with a poly(methyl methacrylate) copolymer containing spirobenzopyran (SP) photochromic molecules in the pendant groups at a concentration of 20 mol %. Two-photon near-IR excitation (similar to 780 nm) was then used to create chemically distinct patterns on the modified surfaces through a photochromic process of SP transformation to the zwitterionic merocyanine (MC) isomer. The derivatized colloids were approximately 10 times more likely to adsorb onto the photoswitched, MC regions. Surface coverage and adsorption kinetics have been compared to the mean-field model of irreversible monolayer adsorption. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Illinois, Dept Mat Sci & Engn, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. Univ Illinois, Beckman Inst Adv Sci & Technol, Urbana, IL 61801 USA. RP Braun, PV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM pbraun@uiuc.edu NR 37 TC 30 Z9 31 U1 0 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD FEB 14 PY 2006 VL 22 IS 4 BP 1379 EP 1382 DI 10.1021/la051636c PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 012QS UT WOS:000235354800002 PM 16460047 ER PT J AU Bell, NS Piech, M AF Bell, NS Piech, M TI Photophysical effects between spirobenzopyran-methyl methacrylate-functionalized colloidal particles SO LANGMUIR LA English DT Article ID TRANSFER RADICAL POLYMERIZATION; PHOTORESPONSIVE POLYMERS; PHOTOCHROMIC SPIROPYRAN; VISCOSITY CHANGE; SIDE GROUPS; AGGREGATION; SURFACE; FILMS; WETTABILITY; MEMBRANES AB Colloidal particles were derivatized with end-grafted polymethylmethacryate polymer brushes containing varying concentrations of spirobenzopyran photochromic molecules. The polymers were grown from initiator-functionalized silica partilces by an atom-transfer radical polymerization (ATRP). These core-shell colloids formed stable suspensions in toluene with the spirobenzopyran in its closed, nonpolar form. However, UV-induced photoswitching of the photochrome to its open, polar merocyanine isomer caused rapid aggregation. The nature of this colloidal stability transition was examined with respect to the spirobenzopyran content in the polymeric brush and solvent polarity. Turbidimetry, wettability studies, UV-vis spectroscopy, suspension rheology, SEM, and visual inspection were utilized to characterize the system photoswitchability. It was found that the system exhibiting the greatest transition in toluene was the copolymer brush composed of 20% spirobenzopyran and 80% methyl methacrylate. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bell, NS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM nsbell@sandia.gov NR 36 TC 37 Z9 37 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD FEB 14 PY 2006 VL 22 IS 4 BP 1420 EP 1427 DI 10.1021/la0516375 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 012QS UT WOS:000235354800011 PM 16460056 ER PT J AU Determan, MD Guo, L Thiyagarajan, P Mallapragada, SK AF Determan, MD Guo, L Thiyagarajan, P Mallapragada, SK TI Supramolecular self-assembly of multiblock copolymers in aqueous solution SO LANGMUIR LA English DT Article ID ABA TRIBLOCK COPOLYMERS; AGGREGATION BEHAVIOR; DIBLOCK COPOLYMER; BLOCK-COPOLYMERS; HYDROGELS; POLYELECTROLYTE; TEMPERATURE; NANOFIBERS; MICELLES; POLYMERS AB A unique pH-dependent phase behavior from a copolymer micellar solution to a collapsed hydrogel with micelles ordered in a hexagonal phase was observed. Small-angle neutron scattering (SANS) was used to follow the pH-dependent structural evolution of micelles formed in a solution of a pentablock copolymer consisting of poly((diethylaminoethyl methacrylate)-b-(ethylene oxide)-b- (propylene oxide)-b-(ethylene oxide)-b- (diethyl aminoethyl methacrylate)) (PDEAEM(25)-b-PEO100-b-PPO65-b-PEO100-b-PDEAEM(25)). Between pH 3.0 and pH 7.4, we observed the presence of charged spherical micelles. Increasing the pH of the micelle solution above pH 7.4 resulted in increasing the size of the micelles due to the increasing hydrophobicity of the PDEAEM blocks above their pK(a) of 7.6. The increase in size of the spherical micelles resulted in a transition to a cylindrical micelle morphology in the pH range 8.1-10.5, and at pH > 11, the copolymer solution undergoes macroscopic phase separation. Indeed, the phase separated copolymer sediments and coalesces into a hydrogel structure that consists of 25-35 wt % water. Small-angle X-ray scattering (SAXS) clearly indicated that the hydrogel has a hexagonal ordered phase. Interestingly, the process is reversible, as lowering of the pH below 7.0 leads to rapid dissolution of the solid into homogeneous solution. We believe that the hexagonal structure in the hydrogel is a result of the organization of the cylindrical micelles due to the increased hydrophobic interactions between the micelles at 70 degrees C and pH 11. Thus we have developed a pH-/temperature-dependent, reversible hierarchically self-assembling block copolymer system with structures spanning nano- to microscale dimensions. C1 Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. Ames Lab, Ames, IA 50011 USA. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Mallapragada, SK (reprint author), Iowa State Univ, Dept Chem & Biol Engn, 144 Spedding Hall, Ames, IA 50011 USA. EM suryakm@iastate.edu RI Mallapragada, Surya/F-9375-2012 NR 29 TC 48 Z9 48 U1 5 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD FEB 14 PY 2006 VL 22 IS 4 BP 1469 EP 1473 DI 10.1021/la0527691 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 012QS UT WOS:000235354800018 PM 16460063 ER PT J AU Ratto, TV Rudd, RE Langry, KC Balhorn, RL McElfresh, MW AF Ratto, TV Rudd, RE Langry, KC Balhorn, RL McElfresh, MW TI Nonlinearly additive forces in multivalent ligand binding to a single protein revealed with force spectroscopy SO LANGMUIR LA English DT Article ID MOLECULAR-BONDS; CONCANAVALIN-A; MICROSCOPY; ADHESION; RECOGNITION; STRENGTH; GLYCOBIOLOGY; FIBRONECTIN; BEHAVIOR; LECTINS AB We present evidence of multivalent interactions between a single protein molecule and multiple carbohydrates at a pH where the protein can bind four ligands. The evidence is based not only on measurements of the force required to rupture the bonds formed between concanavalinA (ConA) and U.-D-mannose but also on an analysis of the polymer-extension force curves to infer the polymer architecture that binds the protein to the cantilever and the ligands to the substrate. We find that although the rupture forces for multiple carbohydrate connections to a single protein are larger than the rupture force for a single connection, they do not scale additively with increasing number. Specifically, the most common rupture forces are approximately 46, 68, and 85 pN at a loading rate of 650 +/- 25 pN/s, which we argue corresponds to 1. 2, and 3 ligands being pulled simultaneously from a single protein as corroborated by an analysis of the linkage architecture. As in our previous work polymer tethers allow us to discriminate between specific and nonspecific binding. We analyze the binding configuration (i.e., serial vs parallel connections) through fitting the polymer stretching data with modified wormlike chain (WLC) models that predict how the effective stiffness of the tethers is affected by multiple connections. This analysis establishes that the forces we measure are due to single proteins interacting with multiple ligands, the first force spectroscopy study that establishes single-molecule multivalent binding unambiguously. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program L452, Livermore, CA 94550 USA. RP Ratto, TV (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program L452, 7000 E Ave, Livermore, CA 94550 USA. EM ratto7@llnl.gov OI Rudd, Robert/0000-0002-6632-2681 NR 46 TC 28 Z9 28 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD FEB 14 PY 2006 VL 22 IS 4 BP 1749 EP 1757 DI 10.1021/la052087d PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 012QS UT WOS:000235354800056 PM 16460101 ER PT J AU Bewley, MC Graziano, V Jiang, JS Matz, E Studier, FW Pegg, AE Coleman, CS Flanagan, JM AF Bewley, MC Graziano, V Jiang, JS Matz, E Studier, FW Pegg, AE Coleman, CS Flanagan, JM TI Structures of wild-type and mutant human spermidine/spermine N-1-acetyltransferase, a potential therapeutic drug target SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE GCN5-related N-acetyltransferase family; polyamines; symmetric and asymmetric dimer; self-acetylation; thialysine N-acetyltransferase ID POLYAMINE ANALOGS; SPERMINE N1-ACETYLTRANSFERASE; CYSTIC-FIBROSIS; ACID-RESIDUES; ACETYLTRANSFERASE; PROTEIN; SUPERFAMILY; THIALYSINE; METABOLISM; CANCER AB Spermidine/spermine N-1-acetyltransferase (SSAT) is a key enzyme in the control of polyamine levels in human cells, as acetylation of spermidine and spermine triggers export or degradation. Increased intracellular polyamine levels accompany several types of cancers as well as other human diseases, and compounds that affect the expression, activity, or stability of SSAT are being explored as potential therapeutic drugs. We have expressed human SSAT from the cloned cDNA in Escherichia coli and have determined high-resolution structures of wild-type and mutant SSAT, as the free dimer and in binary and ternary complexes with CoA, acetyl-CoA (AcCoA), spermine, and the inhibitor N-1,N-11-bis-(ethyl)-norspermine (BE-3-3-3). These structures show details of binding sites for cofactor, substrates, and inhibitor and provide a framework to understand enzymatic activity, mutations, and the action of potential drugs. Two dimer conformations were observed: a symmetric form with two open surface channels capable of binding substrate or cofactor, and an asymmetric form in which only one of the surface channels appears capable of binding and acetylating polyamines. SSAT was found to self-acetylate lysine-26 in the presence of AcCoA and absence of substrate, a reaction apparently catalzyed by AcCoA bound in the second channel of the asymmetric dimer. These unexpected and intriguing complexities seem likely to have some as yet undefined role in regulating SSAT activity or stability as a part of polyamine homeostasis. Sequence signatures group SSAT with proteins that appear to have thialysine N-epsilon-acetyltransferase activity. C1 Penn State Univ, Milton S Hershey Med Ctr, Coll Med, Dept Biochem & Mol Biol, Hershey, PA 17033 USA. Penn State Univ, Milton S Hershey Med Ctr, Coll Med, Dept Cellular & Mol Physiol, Hershey, PA 17033 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Bewley, MC (reprint author), Penn State Univ, Milton S Hershey Med Ctr, Coll Med, Dept Biochem & Mol Biol, Hershey, PA 17033 USA. EM mcb21@psu.edu; studier@bnl.gov FU NCI NIH HHS [R37 CA018138, CA018138, R01 CA018138] NR 42 TC 33 Z9 37 U1 0 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD FEB 14 PY 2006 VL 103 IS 7 BP 2063 EP 2068 DI 10.1073/pnas.0511008103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 013LU UT WOS:000235411600013 PM 16455797 ER PT J AU Arenholz, E Liu, K Li, ZP Schuller, IK AF Arenholz, E Liu, K Li, ZP Schuller, IK TI Magnetization reversal of uncompensated Fe moments in exchange biased Ni/FeF2 bilayers SO APPLIED PHYSICS LETTERS LA English DT Article ID ANISOTROPY AB The magnetization reversal of uncompensated Fe moments in exchange biased Ni/FeF2 bilayers was determined using soft x-ray magnetic circular and linear dichroism. The hysteresis loops resulting from the Fe moments are almost identical to those of the ferromagnetic Ni layer. However, a vertical loop shift indicates that some Fe moments are pinned in the antiferromagnetically ordered FeF2. The pinned moments are oriented antiparallel to small cooling fields, leading to negative exchange bias, but parallel to large cooling fields, resulting in positive exchange bias. No indication for the formation of a parallel antiferromagnetic domain wall in the FeF2 layer upon magnetization reversal in the Ni layer was found. C1 Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Arenholz, E (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. EM earenholz@lbl.gov RI Liu, Kai/B-1163-2008 OI Liu, Kai/0000-0001-9413-6782 NR 17 TC 27 Z9 29 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 13 PY 2006 VL 88 IS 7 AR 072503 DI 10.1063/1.2173716 PG 3 WC Physics, Applied SC Physics GA 013EX UT WOS:000235393700060 ER PT J AU Cao, H Li, JF Viehland, D Xu, GY Shirane, G AF Cao, H Li, JF Viehland, D Xu, GY Shirane, G TI Monoclinic M-C vs orthorhombic in [001] and [110] electric-field-cooled Pb(Mg1/3Nb2/3O3)-35%PbTiO3 crystals SO APPLIED PHYSICS LETTERS LA English DT Article ID PHASE; TRANSFORMATION AB Structural phase transformations in Pb(Mg1/3Nb2/3O3)-35%PbTiO3 crystals with an electric field (E) applied along [110] and [001] directions have been performed by x-ray diffraction. In the field-cooling process, a phase transformation sequence of Cubic(C)-> Tetragonal(T)-> Orthorhombic(O) was found for E//[110]; whereas a sequence of C -> T -> monoclinic(M-C) was found for E//[001]. Our results establish that the stability of M-C relative to O (or limiting M-C) is altered by the direction along which E is applied. C1 Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. EM hcao@vt.edu RI Xu, Guangyong/A-8707-2010 OI Xu, Guangyong/0000-0003-1441-8275 NR 13 TC 13 Z9 13 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 13 PY 2006 VL 88 IS 7 AR 072915 DI 10.1063/1.2175497 PG 3 WC Physics, Applied SC Physics GA 013EX UT WOS:000235393700079 ER PT J AU Li, YL Chen, LQ AF Li, YL Chen, LQ TI Temperature-strain phase diagram for BaTiO3 thin films SO APPLIED PHYSICS LETTERS LA English DT Article ID FERROELECTRIC DOMAIN-STRUCTURES; MISFIT RELAXATION MECHANISMS; BOUNDARY-CONDITIONS; CONFIGURATIONS; STABILITY; CRYSTALS; STATE AB The shifts of ferroelectric phase transition temperatures and domain stabilities of BaTiO3 thin films as a function of strain and temperature were studied using phase-field simulations. A new Landau-Devonshire thermodynamic potential based on an eighth-order polynomial was employed for describing the bulk free energy of BaTiO3 single crystals, which allows the exploration of domain stability in the full range of experimentally accessible compressive and tensile strains. Based on the simulation results, a phase diagram was constructed, which displays the stability of various ferroelectric phases and domain structures as a function of temperature and strain. C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Los Alamos Natl Lab, MST STC, Los Alamos, NM 87545 USA. RP Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RI Chen, LongQing/I-7536-2012 OI Chen, LongQing/0000-0003-3359-3781 NR 31 TC 103 Z9 106 U1 10 U2 54 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 13 PY 2006 VL 88 IS 7 AR 072905 DI 10.1063/1.2172744 PG 3 WC Physics, Applied SC Physics GA 013EX UT WOS:000235393700069 ER PT J AU Luo, ZT Papadimitrakopoulos, F Doorn, SK AF Luo, ZT Papadimitrakopoulos, F Doorn, SK TI Electron-phonon interaction and its influence on reconstruction of single-walled carbon nanotube radial breathing mode spectra SO APPLIED PHYSICS LETTERS LA English DT Article ID RESONANCE RAMAN-SPECTROSCOPY; BULK SEPARATION; DIAMETER AB The relative electron-phonon interaction matrix elements (M-ph) for 28 (n,m) semiconducting single walled carbon nanotubes (SWNTs) species were extracted from the resonance Raman cross sections of individually dispersed high-pressure CO SWNTs. The observed M-ph pattern was fitted according to nanotube family [i.e., (2n+m)=const] and modality [i.e., mod(n-m,3)=1, or 2] using an empirical equation based on trigonal warping effects. The predicted M-ph trends enabled significant improvement to the reconstruction of the radial breathing mode spectra, so that a better match was obtained to the experimental spectra for both dispersed and aggregated SWNTs. The latter provides an initial indication that the observed M-ph trends are preserved during aggregation. C1 Univ Connecticut, Dept Chem, Nanomat Optoelect Lab, Polymer Program, Storrs, CT 06269 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Luo, ZT (reprint author), Univ Connecticut, Dept Chem, Nanomat Optoelect Lab, Polymer Program, Storrs, CT 06269 USA. EM papadim@mail.ims.uconn.edu RI luo, Zhengtang/C-4270-2008 OI luo, Zhengtang/0000-0002-5134-9240 NR 25 TC 15 Z9 15 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 13 PY 2006 VL 88 IS 7 AR 073110 DI 10.1063/1.2173722 PG 3 WC Physics, Applied SC Physics GA 013EX UT WOS:000235393700091 ER PT J AU Moore, JD Perkins, GK Bugoslavsky, Y Chattopadhyay, MK Roy, SB Chaddah, P Pecharsky, VK Gschneidner, KA Cohen, LF AF Moore, JD Perkins, GK Bugoslavsky, Y Chattopadhyay, MK Roy, SB Chaddah, P Pecharsky, VK Gschneidner, KA Cohen, LF TI Reducing the operational magnetic field in the prototype magnetocaloric system Gd5Ge4 by approaching the single cluster size limit SO APPLIED PHYSICS LETTERS LA English DT Article ID PHASE-SEPARATION; MANGANITES; MODEL AB We studied polycrystalline samples of the prototype magnetocaloric system Gd5Ge4 using scanning Hall imaging and global magnetometry. The magnetic field required to complete the phase transition that is critical for magnetocaloric application is reduced by up to 20% when small fragments, each consisting of several randomly oriented crystallites, are removed from the bulk. The removal of competing strain fields from neighboring grains when the fragment is embedded in the bulk underlies the observation. We support the results by showing local Hall imaging of phase separation in the bulk. When the bulk is ground into a fine powder, the effect vanishes. C1 Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BZ, England. Ctr Adv Technol, Low Temp Phys Lab, Indore 452013, India. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Moore, JD (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, Prince Consort Rd, London SW7 2BZ, England. EM l.cohen@imperial.ac.uk NR 19 TC 40 Z9 40 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 13 PY 2006 VL 88 IS 7 AR 072501 DI 10.1063/1.2173631 PG 3 WC Physics, Applied SC Physics GA 013EX UT WOS:000235393700058 ER PT J AU Korniss, G Hastings, MB Bassler, KE Berryman, MJ Kozma, B Abbott, D AF Korniss, G Hastings, MB Bassler, KE Berryman, MJ Kozma, B Abbott, D TI Scaling in small-world resistor networks SO PHYSICS LETTERS A LA English DT Article DE small-world model; resistor networks; scaling ID COMPLEX NETWORKS; PERCOLATION-THRESHOLD; ISING-MODEL; BREAKDOWN; TOLERANCE; DYNAMICS; INTERNET; PHYSICS; ATTACK; TIMES AB We study the effective resistance of small-world resistor networks. Utilizing recent analytic results for the propagator of the Edwards-Wilkinson process on small-world networks, we obtain the asymptotic behavior of the disorder-averaged two-point resistance in the large system-size limit. We find that the small-world structure suppresses large network resistances: both the average resistance and its standard deviation approaches a finite value in the large system-size limit for any non-zero density of random links. We also consider a scenario where the link conductance decays as a power of the length of the random links, l(-alpha). In this case we find that the average effective system resistance diverges for any non-zero value of alpha. (c) 2005 Elsevier B.V. All rights reserved. C1 Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. Univ Adelaide, Ctr Biomed Engn, Adelaide, SA 5005, Australia. Univ Adelaide, Sch Elect & Elect Engn, Adelaide, SA 5005, Australia. RP Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, 110 8th St, Troy, NY 12180 USA. EM korniss@rpi.edu RI Korniss, Gyorgy/A-7360-2011; Abbott, Derek/E-8352-2011 OI Abbott, Derek/0000-0002-0945-2674 NR 71 TC 28 Z9 28 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 EI 1873-2429 J9 PHYS LETT A JI Phys. Lett. A PD FEB 13 PY 2006 VL 350 IS 5-6 BP 324 EP 330 DI 10.1016/j.physleta.2005.09.081 PG 7 WC Physics, Multidisciplinary SC Physics GA 009FW UT WOS:000235097900003 ER PT J AU Lidz, A Heitmann, K Hui, L Habib, S Rauch, M Sargent, WLW AF Lidz, A Heitmann, K Hui, L Habib, S Rauch, M Sargent, WLW TI Tightening constraints from the Ly alpha forest with the flux probability distribution function SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : theory; intergalactic medium; large-scale structure of universe; quasars : absorption lines ID TEMPERATURE-DENSITY RELATION; POWER SPECTRUM; INTERGALACTIC MEDIUM; COSMOLOGICAL PARAMETERS; MASS FLUCTUATIONS; STATISTICS; ABSORPTION; EVOLUTION; MODEL; SIMULATIONS AB The analysis of the Ly alpha forest of absorption lines in quasar spectra has emerged as a potentially powerful technique to constrain the linear matter power spectrum. In most previous work, the amplitude of the ionizing background was fixed by calibrating simulations to match the observed mean transmitted flux in the Ly alpha forest. This procedure is undesirable in principle, as it requires the estimation of the unabsorbed quasar continuum level, a difficult undertaking subject to various sources of systematic error and bias. We suggest an alternative approach based on measuring the one-point probability distribution function (pdf) of the fluctuations in the flux about the mean, relative to the mean, i.e., the pdf of delta(f) = ( f - < f >)/< f >. This statistic, while sensitive to the amplitude of the ionizing background, has the virtue that its measurement does not require an estimate of the unabsorbed continuum level. We present a measurement of the pdf of delta(f) from seven Keck HIRES spectra, spanning a redshift range of z = 2.2 - 4.4. To illustrate that our method is useful, we compare our measurements of the pdf of delta(f) and measurements of the flux power spectrum from Croft et al. at z = 2.72, with cosmological simulations. From this comparison, we obtain constraints on the mean transmission in the Ly alpha forest, the slope of the temperature-density relation, as well as the amplitude and slope of the mass power spectrum. Our methodology is useful for obtaining more precise constraints with larger data samples from the Sloan Digital Sky Survey (SDSS). C1 Columbia Univ, Dept Phys, New York, NY 10027 USA. Harvard Smithsonian Ctr Astrophys, Inst Theory & Computat, Cambridge, MA 02138 USA. Univ Calif Los Angeles, ISRI, ISR Div, Los Alamos, NM 87545 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Carnegie Observ, Pasadena, CA 91101 USA. CALTECH, Dept Astron, Pasadena, CA 91125 USA. RP Lidz, A (reprint author), Columbia Univ, Dept Phys, New York, NY 10027 USA. EM alidz@cfa.harvard.edu; heitmann@lanl.gov; lhui@asxtro.columnia.edu; habib@lanl.gov; mr@ociw.edu; wws@phobos.caltech.edu NR 54 TC 30 Z9 30 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 10 PY 2006 VL 638 IS 1 BP 27 EP 44 DI 10.1086/498699 PN 1 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SF UT WOS:000235132100003 ER PT J AU Bloom, JS Prochaska, JX Pooley, D Blake, CH Foley, RJ Jha, S Ramirez-Ruiz, E Granot, J Filippenko, AV Sigurdsson, S Barth, AJ Chen, HW Cooper, MC Falco, EE Gal, RR Gerke, BF Gladders, MD Greene, JE Hennanwi, J Ho, LC Hurley, K Koester, BP Li, W Lubin, L Newman, J Perley, DA Squires, GK Wood-Vasey, WM AF Bloom, JS Prochaska, JX Pooley, D Blake, CH Foley, RJ Jha, S Ramirez-Ruiz, E Granot, J Filippenko, AV Sigurdsson, S Barth, AJ Chen, HW Cooper, MC Falco, EE Gal, RR Gerke, BF Gladders, MD Greene, JE Hennanwi, J Ho, LC Hurley, K Koester, BP Li, W Lubin, L Newman, J Perley, DA Squires, GK Wood-Vasey, WM TI Closing in on a short-hard burst progenitor: Constraints from early-time optical imaging and spectroscopy of a possible host galaxy of GRB 050509b SO ASTROPHYSICAL JOURNAL LA English DT Review DE gamma rays : bursts ID GAMMA-RAY BURSTS; BLACK-HOLE BINARIES; COALESCING NEUTRON-STARS; DIGITAL SKY SURVEY; SHORT-DURATION; AFTERGLOW OBSERVATIONS; BATSE OBSERVATIONS; SUPERNOVA 1993J; GIANT FLARE; MERGERS AB The localization of the short-duration, hard-spectrum gamma-ray burst GRB 050509b by the Swift satellite was a watershed event. We report the discovery of the probable host galaxy, a bright elliptical galaxy at z = 0.2248. This is the first known redshift and host of a short-hard GRB and shows that at least some short-hard GRBs are cosmological in origin. We began imaging the GRB field 8 minutes after the burst and continued for 8 days. We present a reanalysis of the XRT afterglow and report the absolute position of the GRB. Based on positional coincidences, the GRB and the elliptical are likely to be physically related, unlike any known connection between a long-duration GRB and an early-type galaxy. Similarly unique, GRB 050509b likely also originated from within a rich cluster of galaxies with detectable diffuse X-ray emission. We demonstrate that while the burst was underluminous, the ratio of the blast wave energy to the gamma-ray energy is consistent with that of long-duration GRBs. Based on this analysis, on the location of the GRB (40 +/- 13 kpc from the putative host), on the galaxy type (elliptical), and the lack of a coincident supernova, we suggest that there is now observational support for the hypothesis that short-hard bursts arise during the merger of a compact binary. We limit the properties of any Li-Paczynski "minisupernova'' that is predicted to arise on similar to 1 day timescales. Other progenitor models are still viable, and new Swift bursts will undoubtedly help to further clarify the progenitor picture. C1 Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Inst Adv Study, Princeton, NJ 08540 USA. Stanford Univ, KIPAC, Stanford, CA 94309 USA. Penn State Univ, Davey Lab 525, Dept Astron & Astrophys, University Pk, PA 16802 USA. MIT, Ctr Space Res, Cambridge, MA 02139 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Inst Nucl & Particle Astrophys, Berkeley, CA 94720 USA. CALTECH, Spitzer Sci Ctr, Pasadena, CA 91125 USA. RP Bloom, JS (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. OI Barth, Aaron/0000-0002-3026-0562 NR 143 TC 221 Z9 223 U1 0 U2 8 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 10 PY 2006 VL 638 IS 1 BP 354 EP 368 DI 10.1086/498107 PN 1 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SF UT WOS:000235132100031 ER PT J AU Krumholz, MR McKee, CF Klein, RI AF Krumholz, MR McKee, CF Klein, RI TI Bondi-Hoyle accretion in a turbulent medium SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; black hole physics; hydrodynamics; stars : formation; turbulence ID ADAPTIVE MESH REFINEMENT; INITIAL MASS FUNCTION; GAUSSIAN CLOUD CONDITIONS; MOLECULAR CLOUDS; STELLAR CLUSTERS; STAR-FORMATION; NUMERICAL SIMULATIONS; BLACK-HOLES; GALACTIC GAS; FRAGMENTATION AB The Bondi-Hoyle formula gives the approximate accretion rate onto a point particle accreting from a uniform medium. However, in many situations accretion onto point particles occurs from media that are turbulent rather than uniform. In this paper we give an approximate solution to the problem of a point particle accreting from an ambient medium of supersonically turbulent gas. Accretion in such media is bimodal, at some points resembling classical Bondi-Hoyle flow, and in other cases being closer to the vorticity-dominated accretion flows recently studied by Krumholz, McKee, & Klein. Based on this observation, we develop a theoretical prediction for the accretion rate and confirm that our predictions are highly consistent with the results of numerical simulations. The distribution of accretion rates is lognormal, and the mean accretion rate in supersonically turbulent gas can be substantially enhanced above the value that would be predicted by a naive application of the Bondi-Hoyle formula. However, it can also be suppressed by the vorticity, just as Krumholz, McKee, & Klein found for non-supersonic vorticity-dominated flows. Magnetic fields, which we have not included in these models, may further inhibit accretion. Our results have significant implications for a number of astrophysical problems, ranging from star formation to the black holes in galactic centers. In particular, there are likely to be significant errors in results that assume that accretion from turbulent media occurs at the unmodified Bondi-Hoyle rate or that are based on simulations that do not resolve the Bondi-Hoyle radius of accreting objects. C1 Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Univ Calif Berkeley, Dept Phys & Astron, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Krumholz, MR (reprint author), Princeton Univ, Dept Astrophys Sci, Peyton Hall,Ivy Lane, Princeton, NJ 08544 USA. EM krumholz@astro.princeton.edu; cmckee@astron.berkeley.edu; klein@astron.berkeley.edu OI Krumholz, Mark/0000-0003-3893-854X NR 50 TC 51 Z9 51 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 10 PY 2006 VL 638 IS 1 BP 369 EP 381 DI 10.1086/498844 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SF UT WOS:000235132100032 ER PT J AU Rykoff, ES Mangano, V Yost, SA Sari, R Aharonian, F Akerlof, CW Ashley, MCB Barthelmy, SD Burrows, DN Gehrels, N Gogus, E Guver, T Horns, D Kiziloglu, U Krimm, HA McKay, TA Ozel, M Phillips, A Quimby, RM Rowell, G Rujopakarn, W Schaefer, BE Smith, DA Swan, HF Vestrand, WT Wheeler, JC Wren, J Yuan, F AF Rykoff, ES Mangano, V Yost, SA Sari, R Aharonian, F Akerlof, CW Ashley, MCB Barthelmy, SD Burrows, DN Gehrels, N Gogus, E Guver, T Horns, D Kiziloglu, U Krimm, HA McKay, TA Ozel, M Phillips, A Quimby, RM Rowell, G Rujopakarn, W Schaefer, BE Smith, DA Swan, HF Vestrand, WT Wheeler, JC Wren, J Yuan, F TI The anomalous early afterglow of GRB 050801 SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts ID GAMMA-RAY-BURSTS; OPTICAL AFTERGLOW; EMISSION; JETS; RADIATION AB The ROTSE-IIIc telescope at the HESS site, Namibia, obtained the earliest detection of optical emission from a gamma-ray burst (GRB), beginning only 21.8 s from the onset of Swift GRB 050801. The optical light curve does not fade or brighten significantly over the first similar to 250 s, after which there is an achromatic break and the light curve declines in typical power-law fashion. The Swift XRT also obtained early observations starting at 69 s after the burst onset. The X-ray light curve shows the same features as the optical light curve. These correlated variations in the early optical and X-ray emission imply a common origin in space and time. This behavior is difficult to reconcile with the standard models of early afterglow emission. C1 Univ Michigan, Randall Lab 2477, Ann Arbor, MI 48109 USA. INAF, Ist Astrofis Spaziale & Cosmica, I-90146 Palermo, Italy. CALTECH, Pasadena, CA 91125 USA. Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. Univ New S Wales, Dept Astrophys & Opt, Sch Phys, Sydney, NSW 2052, Australia. NASA, Goddard Space Flight Ctr, High Energy Astrophys Lab, Greenbelt, MD 20071 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Sabanci Univ, Fac Engn & nat Sci, TR-34956 Istanbul, Turkey. Univ Istanbul, Fac Sci, Dept Astron & Space Sci, TR-34119 Istanbul, Turkey. Middle E Tech Univ, TR-06531 Ankara, Turkey. Univ Space Res Assoc, Columbia, MD 21044 USA. Canakkale Osekiz Mart Univ, TR-17020 Canakkale, Turkey. Univ Texas, Dept Astron, Austin, TX 78712 USA. Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. Guilford Coll, Greensboro, NC 27410 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rykoff, ES (reprint author), Univ Michigan, Randall Lab 2477, 450 Church St, Ann Arbor, MI 48109 USA. EM erykoff@umich.edu RI Guver, Tolga/C-1408-2011; Horns, Dieter/C-9727-2011; Gehrels, Neil/D-2971-2012; Barthelmy, Scott/D-2943-2012; Rujopakarn, Wiphu/E-7849-2012; McKay, Timothy/C-1501-2009; Guver, Tolga/B-1039-2014; OI McKay, Timothy/0000-0001-9036-6150; Guver, Tolga/0000-0002-3531-9842; Rujopakarn, Wiphu/0000-0002-0303-499X; Flewelling, Heather/0000-0002-1050-4056; Rowell, Gavin/0000-0002-9516-1581 NR 29 TC 37 Z9 37 U1 0 U2 6 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 10 PY 2006 VL 638 IS 1 BP L5 EP L8 DI 10.1086/501007 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SH UT WOS:000235132400002 ER PT J AU Sathaye, J Shukla, PR Ravindranath, NH AF Sathaye, J Shukla, PR Ravindranath, NH TI Climate change, sustainable development and India: Global and national concerns SO CURRENT SCIENCE LA English DT Article DE adaptation; costs; India; mitigation; vulnerability AB Climate change is one of the most important global environmental challenges, with implications for food production, water supply, health, energy, etc. Addressing climate change requires a good scientific understanding as well as coordinated action at national and global level. This paper addresses these challenges. Historically, the responsibility for greenhouse gas emissions' increase lies largely with the industrialized world, though the developing countries are likely to be the source of an increasing proportion of future emissions. The projected climate change under various scenarios is likely to have implications on food production, water supply, coastal settlements, forest ecosystems, health, energy security, etc. The adaptive capacity of communities likely to be impacted by climate change is low in developing countries. The efforts made by the UNFCCC and the Kyoto Protocol provisions are clearly inadequate to address the climate change challenge. The most effective way to address climate change is to adopt a sustainable development pathway by shifting to environmentally sustainable technologies and promotion of energy efficiency, renewable energy, forest conservation, reforestation, water conservation, etc. The issue of highest importance to developing countries is reducing the vulnerability of their natural and socio-economic systems to the projected climate change. India and other developing countries will face the challenge of promoting mitigation and adaptation strategies, bearing the cost of such an effort, and its implications for economic development. C1 Indian Inst Sci, Ctr Sustainable Technol, Bangalore 560012, Karnataka, India. Indian Inst Management, Ahmedabad 380015, Gujarat, India. Lawrence Berkeley Lab, Berkeley, CA USA. RP Ravindranath, NH (reprint author), Indian Inst Sci, Ctr Sustainable Technol, Bangalore 560012, Karnataka, India. EM ravi@ces.iisc.ernet.in NR 31 TC 31 Z9 31 U1 6 U2 26 PU CURRENT SCIENCE ASSN PI BANGALORE PA C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA SN 0011-3891 J9 CURR SCI INDIA JI Curr. Sci. PD FEB 10 PY 2006 VL 90 IS 3 BP 314 EP 325 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 014RM UT WOS:000235497600016 ER PT J AU Lee, BH Qin, Y Prausnitz, JM AF Lee, BH Qin, Y Prausnitz, JM TI Thermodynamic representation of ternary liquid-liquid equilibria near-to and far-from the plait point SO FLUID PHASE EQUILIBRIA LA English DT Article DE ternary LLE; NRTL; critical region ID SYSTEMS AB Common classical expressions for the molar excess Gibbs energy of mixing g(E) do not contain a contribution from composition fluctuations that are significant in the vicinity of the plait point for a ternary system. We propose a correction to g(E) based on reasonable phenomenological assumptions. This correction requires three ternary constants, but two are obtained from stability relations provided that we know the composition of the plait point. While the method proposed here is not predictive, it provides a consistent thermodynamic procedure for calculating the liquid-liquid phase diagram of a ternary system with a plait point. The proposed method is illustrated for three ternaries. When calculations are based on the classical expressions for g(E) alone, calculated results are in serious disagreement with experiment near critical conditions. Inclusion of the proposed correction for g(E) provides dramatic improvement. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Nalt Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM prausnit@cchem.berkeley.edu NR 13 TC 26 Z9 26 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3812 J9 FLUID PHASE EQUILIBR JI Fluid Phase Equilib. PD FEB 10 PY 2006 VL 240 IS 1 BP 67 EP 72 DI 10.1016/j.fluid.2005.12.002 PG 6 WC Thermodynamics; Chemistry, Physical; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 009PU UT WOS:000235125300009 ER PT J AU McLerran, L AF McLerran, L TI The color glass condensate: An intuitive description SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ ID SATURATION MOMENTUM; ENERGY-DEPENDENCE; SMALL-X; SINGULARITY; SCATTERING; EVOLUTION; EQUATION; QCD AB I argue that the physics of the scattering of very high energy strongly interacting particles is controlled by a new, universal form of matter, the Color Glass Condensate. I motivate the existence of this matter and describe some of its properties. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP McLerran, L (reprint author), Brookhaven Natl Lab, Dept Phys, POB 5000, Upton, NY 11973 USA. NR 27 TC 5 Z9 5 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 694 EP 698 DI 10.1142/S0217751X06031909 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600012 ER PT J AU Kronfeld, AS Allison, IF Aubin, C Bernard, C Davies, CTH Detar, C Di Pierro, M Freeland, ED Gottlieb, S Gray, A Gregory, E Hellerk, UM Hetrick, JE El-Khadra, AX Levkova, L MacKenzie, PB Maresca, F Menscher, D Nobes, M Okamoto, M Oktay, MB Osborn, J Renner, D Simone, JN Sucar, R Toussaint, D Trottier, HD AF Kronfeld, AS Allison, IF Aubin, C Bernard, C Davies, CTH Detar, C Di Pierro, M Freeland, ED Gottlieb, S Gray, A Gregory, E Hellerk, UM Hetrick, JE El-Khadra, AX Levkova, L MacKenzie, PB Maresca, F Menscher, D Nobes, M Okamoto, M Oktay, MB Osborn, J Renner, D Simone, JN Sucar, R Toussaint, D Trottier, HD CA Fermilab Lattice Collaboration MILC Collaboration HPQCD Collaboration TI Predictive lattice QCD SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ DE quantum chromodynamics; lattice QCD; D meson decay; B-c meson mass ID B-C; FORM-FACTORS; HEAVY; STATES; MESON; MASS AB In the past year, we calculated with lattice QCD three quantities that were unknown or poorly known. They are the q(2) dependence of the form factor in semileptonic D -> Klv decay,. the decay constant of the D meson, and the mass of the B, meson. In this talk, we summarize these calculations, with emphasis on their (subsequent) confirmation by experiments. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Glasgow, Dept Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. Columbia Univ, Dept Phys, New York, NY 10027 USA. Washington Univ, Dept Phys, St Louis, MO 63130 USA. Washington Univ, Dept Phys, St Louis, MO 63130 USA. Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Depaul Univ, Sch Comp Sci Telecommun & Informat Syst, Chicago, IL 60604 USA. Art Inst Chicago, Liberal Arts Dept, Chicago, IL 60603 USA. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Amer Phys Soc, New York, NY 11961 USA. Univ Pacific, Dept Phys, Stockton, CA 95211 USA. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Cornell Univ, Lab Elementary Particle Phys, Ithaca, NY 14853 USA. Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. RP Kronfeld, AS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM ask@fnal.gov OI Hetrick, James/0000-0002-0740-2251; Heller, Urs M./0000-0002-2780-5584 NR 31 TC 6 Z9 6 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 713 EP 719 DI 10.1142/S0217751X06031934 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600015 ER PT J AU Negele, JW Bistrovic, B Edwards, RG Fleming, G Hagler, P Orginos, K Pochinsky, A Renner, DB Richards, DG Schroers, W AF Negele, JW Bistrovic, B Edwards, RG Fleming, G Hagler, P Orginos, K Pochinsky, A Renner, DB Richards, DG Schroers, W CA LHPC collaborator TI Hadron structure from lattice QCD SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ ID GENERALIZED PARTON DISTRIBUTIONS; NUCLEON STRUCTURE; FERMIONS AB The structure of neutrons, protons, and other strongly interacting particles is now being calculated in full, unquenched lattice QCD with quark masses entering the chiral regime. This talk describes selected examples, including the nucleon axial charge, structure functions, electromagnetic form factors, the origin of the nucleon spin, the transverse structure of the nucleon, and the nucleon to Delta transition form factor. C1 MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. Jefferson Lab MS 12H2, Newport News, VA 23606 USA. Yale Univ, Sloane Phys Lab, New Haven, CT 06520 USA. Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. DESY, NIC, D-15738 Zeuthen, Germany. RP Negele, JW (reprint author), MIT, Ctr Theoret Phys, 77 Massachusetts Ave, Cambridge, MA 02139 USA. RI Fleming, George/L-6614-2013 OI Fleming, George/0000-0002-4987-7167 NR 28 TC 4 Z9 4 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 720 EP 725 DI 10.1142/S0217751X06031946 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600016 ER PT J AU Brodsky, SJ de Teramond, GF AF Brodsky, SJ de Teramond, GF TI Applications of AdS/CFT duality to QCD SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ ID SYMMETRY; LIMIT AB Even though quantum chromodynamics is a broken conformal theory, the AdS/CFT correspondence has led to important insights into the properties of QCD. For example, as shown by Polchinski and Strassler, dimensional counting rules for the power-law falloff of hadron scattering amplitudes follow from dual holographic models with conformal behavior at short distances and confinement at large distances. We find that one also obtains a remarkable representation of the entire light-quark meson and baryon spectrum, including all orbital excitations, based on only one mass parameter. We also show how hadron light-front wavefunctions and hadron form factors in both the space-like and time-like regions can be predicted. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Univ Costa Rica, San Jose, Costa Rica. RP Brodsky, SJ (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 24 TC 4 Z9 4 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 762 EP 768 DI 10.1142/S0217751X06032009 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600022 ER PT J AU Bodwin, GT AF Bodwin, GT TI NRQCD: Fundamentals and applications to quarkonium decay and production SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ ID INELASTIC J/PSI PHOTOPRODUCTION; P(P)OVER-BAR COLLISIONS; LATTICE QCD; PHYSICS; TEV AB I discuss NRQCD and, in particular, the NRQCD factorization formalism for quarkonium production and decay. I also summarize the current status of the comparison between the predictions of NRQCD factorization and experimental measurements. C1 Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. RP Bodwin, GT (reprint author), Argonne Natl Lab, HEP Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 36 TC 7 Z9 7 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 785 EP 792 DI 10.1142/S0217751X06032034 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600025 ER PT J AU Liu, KF Mathur, N AF Liu, KF Mathur, N TI A review of pentaquark calculations on the lattice SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT International Conference on QCD and Hadronic Physics CY JUN 16-20, 2005 CL Peking Univ, Beijing, PEOPLES R CHINA SP Inst Theoret Phys, Peking Univ, Sch Phys, China Natl Nat Sci Fdn, China Ctr Adv Sci & Technol, Beijing Assoc Sci & Technol HO Peking Univ DE pentaquarks; lattice calculation ID QCD AB We review lattice calculations of pentaquarks and discuss issues pertaining to interpolation fields, distinguishing the signal of pentaquarks from those of the KN scattering states, chiral symmetry, and ghost state contaminations. C1 Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. Jefferson Lab, Newport News, VA 23606 USA. RP Liu, KF (reprint author), Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA. NR 20 TC 6 Z9 6 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD FEB 10 PY 2006 VL 21 IS 4 BP 851 EP 858 DI 10.1142/S0217751X06032162 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 027CZ UT WOS:000236392600038 ER PT J AU Fast, P Shelley, MJ AF Fast, P Shelley, MJ TI Moore's law and the Saffman-Taylor instability SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID ALGORITHM; FLOW C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. NYU, Courant Inst Math Sci, New York, NY 10012 USA. RP Fast, P (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, 7000 E Ave,L-365, Livermore, CA 94551 USA. EM fast1@llnl.gov NR 13 TC 18 Z9 18 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD FEB 10 PY 2006 VL 212 IS 1 BP 1 EP 5 DI 10.1016/j.jcp.2005.06.022 PG 5 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 994CK UT WOS:000234007500001 ER PT J AU Miloshevsky, GV Sizyuk, VA Partenskii, MB Hassanein, A Jordan, PC AF Miloshevsky, GV Sizyuk, VA Partenskii, MB Hassanein, A Jordan, PC TI Application of finite-difference methods to membrane-mediated protein interactions and to heat and magnetic field diffusion in plasmas SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE finite-difference method; elliptic and parabolic equations; membrane-mediated interaction; heat; magnetic field; diffusion ID HEIGHTS INITIAL SIMULATION; GRAMICIDIN CHANNELS; RADIATION TRANSPORT; EUV LITHOGRAPHY; BILAYER DEFORMATIONS; LIPID-BILAYERS; ION CHANNELS; Z-PINCH; HYDRODYNAMICS; INCLUSIONS AB A robust finite-difference approach for solving physically distinct cross-disciplinary problems such as membrane-mediated protein-protein interactions and heat and magnetic field diffusion in plasmas is described for rectangular grids. Mathematical models representing these physical phenomena are fourth- and second-order partial differential equations with variable coefficients. The finite-difference coupled harmonic oscillators technique was developed to treat arbitrary aggregates of inclusions in membranes automatically accounting for their non-pairwise interactions. The method was applied to study the stabilization of ion channels in a cluster due to membrane-mediated interactions and to examine the effects of anisotropic membrane slope relaxation on the elastic free energy. To obtain contributions from heat and magnetic field diffusion, the splitting method for the physical processes has been used in the numerical solution of resistive magnetohydrodynamic equations. The fully implicit scheme is outlined, tested and applied to problems of the diffusive redistribution of magnetic field and heat in the plasma. (c) 2005 Elsevier Inc. All rights reserved. C1 Brandeis Univ, Dept Chem, Waltham, MA 02454 USA. Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. RP Jordan, PC (reprint author), Brandeis Univ, Dept Chem, MS-015,PO B 549110, Waltham, MA 02454 USA. EM jordan@brandeis.edu RI partensky, michael/G-6219-2012 NR 52 TC 18 Z9 18 U1 1 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD FEB 10 PY 2006 VL 212 IS 1 BP 25 EP 51 DI 10.1016/j.jcp.2005.06.013 PG 27 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 994CK UT WOS:000234007500003 ER PT J AU Arluison, W Mura, C Guzman, MR Liquier, J Pellegrini, O Gingery, M Regnier, P Marco, S AF Arluison, W Mura, C Guzman, MR Liquier, J Pellegrini, O Gingery, M Regnier, P Marco, S TI Three-dimensional structures of fibrillar Sm proteins: Hfq and other Sm-like proteins SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE RNA-binding protein; Sm-like (Lsm) protein; helical fibre; electron microscopy; FTIR ID ESCHERICHIA-COLI HFQ; TRANSFORM INFRARED-SPECTROSCOPY; MESSENGER-RNA; HIV-1 REV; ELECTRON-MICROSCOPY; BETA-SHEETS; HOST FACTOR; AB-INITIO; BINDING; MODEL AB Hfq is a nucleic acid-binding protein that functions as a global regulator of gene expression by virtue of its interactions with several small, non-coding RNA species. Originally identified as an Escherichia coli host factor required for RNA phage Q beta replication, Hfq is now known to post-transcriptionally regulate bacterial gene expression by modulating both mRNA stability and translational activity. Recently shown to be a member of the diverse Sm protein family, Hfq adopts the OB-like fold typical of other Sm and Sm-like (Lsm) proteins, and also assembles into toroidal homo-oligomers that bind single-stranded RNA. Similarities between the structures, functions, and evolution of Sm/Lsm proteins and Hfq are continually being discovered, and we now report an additional, unexpected biophysical property that is shared by Hfq and other Sm proteins: E. coli Hfq polymerizes into well-ordered fibres whose morphologies closely resemble those found for Sm-like archaeal proteins (SmAPs). However, the hierarchical assembly of these fibres is dissimilar: whereas SmAPs polymerize into polar tubes (and striated bundles of such tubes) by head-to-tail stacking of individual homo-heptamers, helical Hfq fibres are formed by cylindrical slab-like layers that consist of 36 subunits arranged as a hexamer of Hfq homo-hexamers (i.e. protofilaments in a 6X6 arrangement). The different fibrillar ultrastructures formed by Hfq and SmAP are presented and examined herein, with the overall goal of elucidating another similarity amongst the diverse members of the Sm protein family. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Paris 07, Inst Biol Physicochim, CNRS, UPR 9073, F-75005 Paris, France. Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. Univ Calif San Diego, Ctr Theoret Biol Phys, La Jolla, CA 92093 USA. Univ Paris 13, Lab BioMoCeTi, UMR 7033, CNRS,UFR Med Sante Biol Humaine, F-93017 Bobigny, France. Univ Calif Los Angeles, DOE Inst Genom & Proteom, Los Angeles, CA 90095 USA. Inst Curie, CNRS, UMR 168, F-75005 Paris, France. RP Arluison, W (reprint author), Univ Paris 07, Inst Biol Physicochim, CNRS, UPR 9073, 13 Rue P & M Curie, F-75005 Paris, France. EM veronique.arluison@ibpc.fr RI marco garrido, sergio/F-5876-2013; marco, SERGIO/E-4875-2017 NR 55 TC 1 Z9 2 U1 1 U2 3 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD FEB 10 PY 2006 VL 356 IS 1 BP 86 EP 96 DI 10.1016/j.jmb.2005.11.010 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 007AF UT WOS:000234938600008 ER PT J AU Sorin, EJ Rhee, YM Shirts, MR Pande, VS AF Sorin, EJ Rhee, YM Shirts, MR Pande, VS TI The solvation interface is a determining factor in peptide conformational preferences SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE protein folding; explicit solvent; distributed computing; hydrophobicity; molecular dynamics ID FREE-ENERGY LANDSCAPE; HELIX-COIL TRANSITION; POLYPROLINE II HELIX; ALPHA-HELIX; EXPLICIT SOLVENT; BETA-HAIRPIN; MOLECULAR SIMULATIONS; FOLDING SIMULATIONS; SECONDARY STRUCTURE; IMPLICIT SOLVENT AB The 21 residue polyalanine-based F-s peptide was studied using thousands of long, explicit solvent, atomistic molecular dynamics simulations that reached equilibrium at the ensemble level. Peptide conformational preference as a function of hydrophobicity was examined using a spectrum of explicit solvent models, and the peptide length-dependence of the hydrophilic and hydrophobic components of solvent-accessible surface area for several ideal conformational types was considered. Our results demonstrate how the character of the solvation interface induces several conformational preferences, including a decrease in mean helical content with increased hydrophilicity, which occurs predominantly through reduced nucleation tendency and, to a lesser extent, destabilization of helical propagation. Interestingly, an opposing effect occurs through increased propensity for 3(10)-helix conformations, as well as increased polyproline structure. Our observations provide a framework for understanding previous reports of conformational preferences in polyalanine-based peptides including (i) terminal 3(10)-helix prominence, (ii) low pi-helix propensity, (iii) increased polyproline conformations in short and unfolded peptides, and (iv) membrane helix stability in the presence and absence of water. These observations provide physical insight into the role of water in peptide conformational equilibria at the atomic level, and expand our view of the complexity of even the most "simple" of biopolymers. Whereas previous studies have focused predominantly on hydrophobic effects with respect to tertiary structure, this work highlights the need for consideration of such effects at the secondary structural level. (c) 2005 Elsevier Ltd. All rights reserved. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, Dept Biol Struct, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Columbia Univ, Dept Chem, New York, NY 10027 USA. RP Pande, VS (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM pande@stanford.edu RI Rhee, Young/E-9940-2012 NR 49 TC 37 Z9 38 U1 4 U2 43 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD FEB 10 PY 2006 VL 356 IS 1 BP 248 EP 256 DI 10.1016/j.jmb.2005.11.058 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 007AF UT WOS:000234938600020 PM 16364361 ER PT J AU Fairlie, DB Twarock, R Zachos, CK AF Fairlie, DB Twarock, R Zachos, CK TI Lie algebras associated with one-dimensional aperiodic point sets SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article ID QUASI-CRYSTALS; ORDER AB The set of points of a one-dimensional cut-and-project quasicrystal or model set, while not additive, is shown to be multiplicative for appropriate choices of acceptance windows. This leads to the definition of an associative additive graded composition law and permits the introduction of Lie algebras over such aperiodic point sets. These infinite-dimensional Lie algebras are shown to be representatives of a new type of semi-direct product induced Lie algebras. C1 Univ Durham, Dept Math Sci, Durham DH1 3LE, England. Univ York, Dept Math, York YO10 5DD, N Yorkshire, England. Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Fairlie, DB (reprint author), Univ Durham, Dept Math Sci, South Rd, Durham DH1 3LE, England. EM David.Fairlie@durham.ac.uk; rt507@york.ac.uk; zachos@anl.gov RI zachos, cosmas/C-4366-2014 OI zachos, cosmas/0000-0003-4379-3875 NR 8 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD FEB 10 PY 2006 VL 39 IS 6 BP 1367 EP 1374 DI 10.1088/0305-4470/39/6/010 PG 8 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 019EI UT WOS:000235818000011 ER PT J AU Kollias, AC Domin, D Hill, G Frenklach, M Lester, WA AF Kollias, AC Domin, D Hill, G Frenklach, M Lester, WA TI Quantum Monte Carlo study of small hydrocarbon atomization energies SO MOLECULAR PHYSICS LA English DT Article ID BOND-DISSOCIATION ENERGIES; COMPLETE BASIS-SET; WAVE-FUNCTIONS; HARTREE-FOCK; CONFIGURATION-INTERACTION; SYSTEMATIC SEQUENCES; MOLECULAR-ENERGIES; GAUSSIAN-1 THEORY; LOCAL ENERGY; ATOMS AB A benchmark study of atomization energies is reported for 22 hydrocarbons using single determinant trial functions in the diffusion Monte Carlo (DMC) variant of the quantum Monte Carlo (QMC) method. The DMC atomization energies are compared to experiment, a complete basis set approach (CBS-Q), density functional theory with the B3LYP functional, and coupled-cluster singles, doubles and perturbative triples, CCSD(T), methods. Comparison of the DMC results to experiment yields a mean absolute deviation of 1.9 kcal mol(-1), which is comparable to that of the B3LYP/cc-pVQZ (1.7 kcal mol(-1)) level of theory, but less accurate than that of CBS-Q (1.1 kcal mol(-1)). DMC performs similarly for both closed-shell and open-shell molecules with mean absolute deviations of 2.1 kcal mol(-1) for the former and 1.7 kcal mol(-1) for the latter systems. The use of experimental zero-point energies (ZPEs), rather than scaled B3LYP ZPEs, is found to have negligible effect on DMC atomization energies. The latter reported here provide a baseline from which further improvement in the calculation of DMC atomization energies, including the use of multi-determinant and other trial function improvements, can be measured. C1 Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Jackson State Univ, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Lester, WA (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. EM walester@lbl.gov NR 57 TC 0 Z9 0 U1 0 U2 0 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PD FEB 10 PY 2006 VL 104 IS 3 BP 467 EP 475 DI 10.1080/00268970500397444 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 009YP UT WOS:000235149900014 ER PT J AU Ao, T Ping, Y Widmann, K Price, DF Lee, E Tam, H Springer, PT Ng, A AF Ao, T Ping, Y Widmann, K Price, DF Lee, E Tam, H Springer, PT Ng, A TI Optical properties in nonequilibrium phase transitions SO PHYSICAL REVIEW LETTERS LA English DT Article ID DYNAMICS; METALS; DIFFRACTION; EXCITATION; ELECTRON; PLASMA; SI AB An open question about the dynamical behavior of materials is how phase transition occurs in highly nonequilibrium systems. One important class of study is the excitation of a solid by an ultrafast, intense laser. The preferential heating of electrons by the laser field gives rise to initial states dominated by hot electrons in a cold lattice. Using a femtosecond laser pump-probe approach, we have followed the temporal evolution of the optical properties of such a system. The results show interesting correlation to nonthermal melting and lattice disordering processes. They also reveal a liquid-plasma transition when the lattice energy density reaches a critical value. C1 Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ao, T (reprint author), Univ British Columbia, Dept Phys & Astron, Vancouver, BC V5Z 1M9, Canada. NR 20 TC 47 Z9 47 U1 1 U2 11 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 055001 DI 10.1103/PhysRevLett.96.055001 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200037 PM 16486941 ER PT J AU Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Saleem, M Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Minamora, JS Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Hirschauer, JF Kreisel, A Nauenberg, U Olivas, A Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Soffer, A Toki, WH Wilson, RJ Zeng, Q Altenburg, D Feltresi, E Hauke, A Spaan, B Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Vetere, ML Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Wu, J Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Schott, G Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Nash, JA Nikolich, MB Vazquez, WP Chai, X Charles, MJ Mader, WF Mallik, U Mohapatra, AK Ziegler, V Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Diberder, FL Lepeltier, V Lutz, AM Oyanguren, A Petersen, TC Plaszczynski, S Rodier, S Roudeau, P Schune, MH Stocchi, A Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Forster, IJ Fry, JR Gabathuler, E Gamet, R George, KA Hutchcroft, DE Parry, RJ Payne, DJ Schofield, KC Touramanis, C Cormack, CM Lodovico, FD Menges, W Sacco, R Brown, CL Cowan, G Flaecher, HU Green, MG Hopkins, DA Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Edgar, CL Hodgkinson, MC Kelly, MP Lafferty, GD Naisbit, MT Williams, JC Chen, C Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Roberts, DA Simi, G Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Li, X Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Kim, H Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N Nardo, GD Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Strube, J Torrence, E Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Buono, LD de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Cenci, R Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Marco, ED Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Schroder, H Wagner, G Waldi, R Adye, T Groot, ND Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Coleman, JP Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J van Bakel, N Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Bula, R Ernst, JA Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Ricca, GD Dittongo, S Grancagnolo, S Lanceri, L Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Pierini, M Prepost, R Tan, P Wu, SL Yu, Z Neal, H AF Aubert, B Barate, R Boutigny, D Couderc, F Karyotakis, Y Lees, JP Poireau, V Tisserand, V Zghiche, A Grauges, E Palano, A Pappagallo, M Pompili, A Chen, JC Qi, ND Rong, G Wang, P Zhu, YS Eigen, G Ofte, I Stugu, B Abrams, GS Battaglia, M Breon, AB Brown, DN Button-Shafer, J Cahn, RN Charles, E Day, CT Gill, MS Gritsan, AV Groysman, Y Jacobsen, RG Kadel, RW Kadyk, J Kerth, LT Kolomensky, YG Kukartsev, G Lynch, G Mir, LM Oddone, PJ Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Wenzel, WA Barrett, M Ford, KE Harrison, TJ Hart, AJ Hawkes, CM Morgan, SE Watson, AT Fritsch, M Goetzen, K Held, T Koch, H Lewandowski, B Pelizaeus, M Peters, K Schroeder, T Steinke, M Boyd, JT Burke, JP Chevalier, N Cottingham, WN Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Kyberd, P Saleem, M Teodorescu, L Blinov, AE Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Minamora, JS Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Hirschauer, JF Kreisel, A Nauenberg, U Olivas, A Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Soffer, A Toki, WH Wilson, RJ Zeng, Q Altenburg, D Feltresi, E Hauke, A Spaan, B Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Vetere, ML Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Wu, J Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Schott, G Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Nash, JA Nikolich, MB Vazquez, WP Chai, X Charles, MJ Mader, WF Mallik, U Mohapatra, AK Ziegler, V Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Yi, J Arnaud, N Davier, M Giroux, X Grosdidier, G Hocker, A Diberder, FL Lepeltier, V Lutz, AM Oyanguren, A Petersen, TC Plaszczynski, S Rodier, S Roudeau, P Schune, MH Stocchi, A Wormser, G Cheng, CH Lange, DJ Simani, MC Wright, DM Bevan, AJ Chavez, CA Forster, IJ Fry, JR Gabathuler, E Gamet, R George, KA Hutchcroft, DE Parry, RJ Payne, DJ Schofield, KC Touramanis, C Cormack, CM Lodovico, FD Menges, W Sacco, R Brown, CL Cowan, G Flaecher, HU Green, MG Hopkins, DA Jackson, PS McMahon, TR Ricciardi, S Salvatore, F Brown, D Davis, CL Allison, J Barlow, NR Barlow, RJ Edgar, CL Hodgkinson, MC Kelly, MP Lafferty, GD Naisbit, MT Williams, JC Chen, C Hulsbergen, WD Jawahery, A Kovalskyi, D Lae, CK Roberts, DA Simi, G Blaylock, G Dallapiccola, C Hertzbach, SS Kofler, R Koptchev, VB Li, X Moore, TB Saremi, S Staengle, H Willocq, S Cowan, R Koeneke, K Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Kim, H Patel, PM Robertson, SH Lazzaro, A Lombardo, V Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Reidy, J Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Taras, P Viaud, B Nicholson, H Cavallo, N Nardo, GD Fabozzi, F Gatto, C Lista, L Monorchio, D Paolucci, P Piccolo, D Sciacca, C Baak, M Bulten, H Raven, G Snoek, HL Wilden, L Jessop, CP LoSecco, JM Allmendinger, T Benelli, G Gan, KK Honscheid, K Hufnagel, D Jackson, PD Kagan, H Kass, R Pulliam, T Rahimi, AM Ter-Antonyan, R Wong, QK Brau, J Frey, R Igonkina, O Lu, M Potter, CT Sinev, NB Strom, D Strube, J Torrence, E Galeazzi, F Margoni, M Morandin, M Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Benayoun, M Briand, H Chauveau, J David, P Buono, LD de la Vaissiere, C Hamon, O John, MJJ Leruste, P Malcles, J Ocariz, J Roos, L Therin, G Behera, PK Gladney, L Guo, QH Panetta, J Biasini, M Covarelli, R Pacetti, S Pioppi, M Angelini, C Batignani, G Bettarini, S Bucci, F Calderini, G Carpinelli, M Cenci, R Forti, F Giorgi, MA Lusiani, A Marchiori, G Morganti, M Neri, N Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Marco, ED Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Schroder, H Wagner, G Waldi, R Adye, T Groot, ND Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Coleman, JP Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J van Bakel, N Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Bula, R Ernst, JA Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Ricca, GD Dittongo, S Grancagnolo, S Lanceri, L Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Pierini, M Prepost, R Tan, P Wu, SL Yu, Z Neal, H TI Measurements of the absolute branching fractions of B-+/--> K-+/- Xc(c)over-bar-$ SO PHYSICAL REVIEW LETTERS LA English DT Article ID DECAYS AB We study the two-body decays of B+/- mesons to K+/- and a charmonium state X-c(c) over bar in a sample of 210.5 fb(-1) of data from the BABAR experiment. We perform measurements of absolute branching fractions B(B+/- -> K+/-Xc(c) over bar) using a missing mass technique, and report several new or improved results. In particular, the upper limit B(B+/- -> K+/-X(3872)) < 3.2 x 10(-4) at 90% C.L. and the inferred lower limit B(X(3872) -> J/psi pi(+)pi(-)) > 4.2% will help in understanding the nature of the recently discovered X(3872). C1 Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Univ Bari, Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Univ Ferrara, Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Univ Genoa, Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ Karlsruhe, Inst Expt Kernphys, D-76021 Karlsruhe, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, Merseyside, England. Univ London, Queen Mary, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Lab Rene JA Levesque, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Phys Theor & Hautes Energies Lab, F-75252 Paris, France. Univ Paris 07, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Perugia, Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas Dallas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Univ Trieste, Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Basilicata, I-85100 Potenza, Italy. RP Lab Annecy Le Vieux Phys Particules, F-74941 Annecy Le Vieux, France. RI de Sangro, Riccardo/J-2901-2012; Cavallo, Nicola/F-8913-2012; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Peters, Klaus/C-2728-2008; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; Kravchenko, Evgeniy/F-5457-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Grancagnolo, Sergio/J-3957-2015; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016 OI de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Grancagnolo, Sergio/0000-0001-8490-8304; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636 NR 23 TC 46 Z9 47 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 052002 DI 10.1103/PhysRevLett.96.052002 PG 7 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200019 PM 16486923 ER PT J AU Babzien, M Ben-Zvi, I Kusche, K Pavlishin, IV Pogorelsky, IV Siddons, DP Yakimenko, V Cline, D Zhou, F Hirose, T Kamiya, Y Kumita, T Omori, T Urakawa, J Yokoya, K AF Babzien, M Ben-Zvi, I Kusche, K Pavlishin, IV Pogorelsky, IV Siddons, DP Yakimenko, V Cline, D Zhou, F Hirose, T Kamiya, Y Kumita, T Omori, T Urakawa, J Yokoya, K TI Observation of the second harmonic in Thomson scattering from relativistic electrons SO PHYSICAL REVIEW LETTERS LA English DT Article ID INTENSE LASER-RADIATION; COMPTON-SCATTERING; LINEAR COLLIDERS; BEAMS; GENERATION; PHOTONS; PULSES AB A free relativistic electron in an electromagnetic field is a pure case of a light-matter interaction. In the laboratory environment, this interaction can be realized by colliding laser pulses with electron beams produced from particle accelerators. The process of single photon absorption and reemission by the electron, so-called linear Thomson scattering, results in radiation that is Doppler shifted into the x-ray and gamma-ray regions. At elevated laser intensity, nonlinear effects should come into play when the transverse motion of the electrons induced by the laser beam is relativistic. In the present experiment, we achieved this condition and characterized the second harmonic of Thomson x-ray scattering using the counterpropagation of a 60 MeV electron beam and a subterawatt CO2 laser beam. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Waseda Univ, Shinjuku Ku, Tokyo 1698555, Japan. Tokyo Metropolitan Univ, Tokyo 1920397, Japan. High Energy Accelerator Res Org, Tsukuba, Ibaraki 3050801, Japan. RP Babzien, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. RI urakawa, junji/F-4763-2014; Kamiya, Yoshio/L-4394-2014 OI Kamiya, Yoshio/0000-0001-8716-2536 NR 26 TC 59 Z9 63 U1 0 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 054802 DI 10.1103/PhysRevLett.96.054802 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200035 PM 16486939 ER PT J AU Checco, A Gang, O Ocko, BM AF Checco, A Gang, O Ocko, BM TI Liquid nanostripes SO PHYSICAL REVIEW LETTERS LA English DT Article ID ATOMIC-FORCE MICROSCOPY; WETTING FILMS; TAPPING MODE; X-RAY; MONOLAYERS; SURFACES; SILICON; ROUGH AB Equilibrium wetting of ethanol, a volatile liquid, onto chemically patterned nanostripes has been investigated using noncontact atomic force microscopy (AFM). The chemical patterns, generated by a conducting AFM tip, are composed of COOH terminated "wetting" regions and CH3 terminated "nonwetting" regions. Controlled amounts of ethanol, from the vapor phase, condense on the COOH stripes and their shape is imaged in situ versus their width (70 < w < 300 nm). The measured profile shapes at saturation and their w(1/2) height dependence are well described by density functional theory with dispersive, nonretarded potentials. C1 Brookhaven Natl Lab, Condensed Matter Phy & Mat Sci Dept, Upton, NY 11973 USA. RP Checco, A (reprint author), Brookhaven Natl Lab, Condensed Matter Phy & Mat Sci Dept, Upton, NY 11973 USA. EM ocko@bnl.gov NR 20 TC 46 Z9 46 U1 2 U2 14 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 056104 DI 10.1103/PhysRevLett.96.056104 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200055 PM 16486959 ER PT J AU Edwards, RG Fleming, GT Hagler, P Negele, JW Orginos, K Pochinsky, AV Renner, DB Richards, DG Schroers, W AF Edwards, RG Fleming, GT Hagler, P Negele, JW Orginos, K Pochinsky, AV Renner, DB Richards, DG Schroers, W TI Nucleon axial charge in full lattice QCD SO PHYSICAL REVIEW LETTERS LA English DT Article ID VECTOR COUPLING CONSTANT; DOMAIN-WALL FERMIONS; RENORMALIZATION; DECAY AB The nucleon axial charge is calculated as a function of the pion mass in full QCD. Using domain wall valence quarks and improved staggered sea quarks, we present the first calculation with pion masses as light as 354 MeV and volumes as large as (3.5 fm)(3). We show that finite volume effects are small for our volumes and that a constrained fit based on finite volume chiral perturbation theory agrees with experiment within 7% statistical errors. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Yale Univ, Sloane Phys Lab, New Haven, CT 06520 USA. Free Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. Tech Univ Munich, Inst Theoret Phys, D-85747 Garching, Germany. MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. NIC DESY, John von Neumann Inst Comp, D-15738 Zeuthen, Germany. RP Edwards, RG (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RI Fleming, George/L-6614-2013 OI Fleming, George/0000-0002-4987-7167 NR 27 TC 113 Z9 113 U1 0 U2 1 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 052001 DI 10.1103/PhysRevLett.96.052001 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200018 PM 16486922 ER PT J AU Goncharov, AF Crowhurst, JC AF Goncharov, AF Crowhurst, JC TI Raman spectroscopy of hot compressed hydrogen and nitrogen: Implications for the intramolecular potential SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY-DIFFRACTION; SOLID HYDROGEN; GPA; PRESSURES; H-2; TEMPERATURES; STATE; PHASE AB Raman measurements of molecular hydrogen (H-2 and D-2) and nitrogen (N-2) have been made under simultaneous conditions of high temperature and high static pressure. Measurements have been made on H-2 and D-2 to 50 GPa and 1600 K, and on N-2 to 50 GPa and 2000 K. In all three materials the familiar molecular stretching mode (vibron) is accompanied in the high-temperature Raman spectra by one or more lower-frequency peaks due to transitions from excited vibrational states. We find that the frequency differences between these bands decreases with pressure, implying that the anharmonicity of the corresponding part of the intramolecular potential also decreases. This is accompanied by an increase in the measured linewidths of the bands that is consistent with a decrease of the depth of the potential and an approaching molecular dissociation. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. RP Goncharov, AF (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 26 TC 22 Z9 23 U1 3 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 055504 DI 10.1103/PhysRevLett.96.055504 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200044 PM 16486948 ER PT J AU Punnoose, A Finkel'stein, AM AF Punnoose, A Finkel'stein, AM TI Spin relaxation in the presence of electron-electron interactions SO PHYSICAL REVIEW LETTERS LA English DT Article ID METAL-INSULATOR-TRANSITION; SYSTEMS; HETEROSTRUCTURES; SEMICONDUCTORS; MOBILITY; GAS AB The D'yakonov-Perel' spin relaxation induced by the spin-orbit interaction is examined in disordered two-dimensional electron gas. It is shown that, because of the electron-electron interactions, substantially different spin relaxation rates may be observed depending on the technique used to extract them. It is demonstrated that the relaxation rate of a spin population is proportional to the spin-diffusion constant D-s, while the spin-orbit scattering rate controlling the weak-localization corrections is proportional to the diffusion constant D, i.e., the conductivity. The two diffusion constants get strongly renormalized by the electron-electron interactions, but in different ways. As a result, the corresponding relaxation rates are different, with the difference between the two being especially strong near a magnetic instability or near the metal-insulator transition. C1 Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA. Weizmann Inst Sci, Dept Condensed Matter Phys, IL-76100 Rehovot, Israel. Argonne Natl Lab, Argonne, IL 60439 USA. RP Punnoose, A (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM apunnoose@wisc.edu NR 25 TC 9 Z9 9 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 057202 DI 10.1103/PhysRevLett.96.057202 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200069 PM 16486973 ER PT J AU Recoules, V Clerouin, J Zerah, G Anglade, PM Mazevet, S AF Recoules, V Clerouin, J Zerah, G Anglade, PM Mazevet, S TI Effect of intense laser irradiation on the lattice stability of semiconductors and metals SO PHYSICAL REVIEW LETTERS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; EMBEDDED-ATOM METHOD; SILICON; FEMTOSECOND; REFLECTIVITY; TRANSITIONS; COMPUTATION; STATE; GOLD AB The effect of intense ultrashort irradiation on interatomic forces, crystal stability, and possible melting transition of the underlying lattice is not completely elucidated. By using ab initio linear response to compute the phonon spectrum of gold, silicon, and aluminum, we found that silicon and gold behave in opposite ways when increasing radiation intensity: whereas a weakening of the silicon bond induces a lattice instability, gold undergoes a sharp increase of its melting temperature, while a significantly smaller effect is observed for aluminum for electronic temperatures up to 6 eV. C1 CEA, DAM Ile France, Dept Phys Theor & Appl, F-91680 Bruyeres Le Chatel, France. Ecole Normale Super, CECAM, F-69364 Lyon 7, France. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Recoules, V (reprint author), CEA, DAM Ile France, Dept Phys Theor & Appl, BP12, F-91680 Bruyeres Le Chatel, France. EM vanina.recoules@cea.fr RI Clerouin, jean/D-8528-2015 OI Clerouin, jean/0000-0003-2144-2759 NR 27 TC 129 Z9 130 U1 5 U2 35 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 055503 DI 10.1103/PhysRevLett.96.055503 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200043 PM 16486947 ER PT J AU Shiotani, Y Sarrao, JL Zheng, GQ AF Shiotani, Y Sarrao, JL Zheng, GQ TI Field-induced ferromagnetic order and colossal magnetoresistance in La1.2Sr1.8Mn2O7: A La-139 NMR study SO PHYSICAL REVIEW LETTERS LA English DT Article ID EQUAL-TO 0.50; GIANT MAGNETORESISTANCE; RESISTIVITY; MANGANITES; PHASE; CRYSTAL; OXIDES AB In order to gain insights into the origin of colossal magnetoresistance (CMR) in manganese oxides, we performed a La-139 NMR study in the double-layered compound La1.2Sr1.8Mn2O7. We find that above the Curie temperature T-C = 126 K, applying a magnetic field induces a long-range ferromagnetic order that persists up to T = 330 K. The critical field at which the induced magnetic moment is saturated coincides with the field at which the CMR effect reaches a maximum. Our results therefore indicate that the CMR observed above T-C in this compound is due to the field-induced ferromagnetism that produces a metallic state via the double exchange interaction. C1 Osaka Univ, Grad Sch Engn Sci, Dept Phys Sci, Osaka 5608531, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Okayama Univ, Dept Phys, Okayama 7008530, Japan. RP Zheng, GQ (reprint author), RICOH Co Ltd, Minato Ku, Shin Yokohama 3-2-3, Yokohama, Kanagawa 2220033, Japan. EM zheng@psun.phys.okayama-u.ac.jp RI Zheng, Guo-qing/B-1524-2011 NR 19 TC 12 Z9 12 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 057203 DI 10.1103/PhysRevLett.96.057203 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200070 PM 16486974 ER PT J AU Skubic, B Holmstrom, E Iusan, D Bengone, O Eriksson, O Brucas, R Hjorvarsson, B Stanciu, V Nordblad, P AF Skubic, B Holmstrom, E Iusan, D Bengone, O Eriksson, O Brucas, R Hjorvarsson, B Stanciu, V Nordblad, P TI Competing exchange interactions in magnetic multilayers SO PHYSICAL REVIEW LETTERS LA English DT Article ID METALLIC MULTILAYERS; POTENTIAL MODEL; SUPERLATTICES; INTERFACES; ALLOYS; MAGNETORESISTANCE; ELECTRONICS; HYDROGEN; SPACERS; LAYERS AB We have studied alloying of the nonmagnetic spacer layer with a magnetic material as a method of tuning the interlayer coupling in magnetic multilayers. We have specifically studied the Fe/V(100) system by alloying the spacer V with various amounts of Fe. For some Fe concentrations in the spacer, it is possible to create a competition between antiferromagnetic Ruderman-Kittel-Kasuya-Yoshida exchange and direct ferromagnetic exchange coupling. The exchange coupling and transport properties for a large span of systems with different spacer concentrations and thicknesses were calculated and measured experimentally and good agreement between observations and theory was observed. A reduction in magnetoresistance of about 50% was observed close to the switchover from antiferromagnetic to ferromagnetic coupling. C1 Uppsala Univ, Dept Phys, SE-75121 Uppsala, Sweden. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. ULP, CNRS, UMR 7504, Inst Phys & Chim Mat Strasbourg, F-67034 Strasbourg, France. Uppsala Univ, Dept Engn Sci, SE-75121 Uppsala, Sweden. RP Skubic, B (reprint author), Uppsala Univ, Dept Phys, Box 530, SE-75121 Uppsala, Sweden. EM erikh@lanl.gov RI Iusan, Diana/C-2356-2011; Holmstrom, Erik/A-5308-2009; Skubic, Bjorn/D-5465-2009; Hjorvarsson, Bjorgvin/B-3022-2011; Nordblad, Per/A-5941-2013; Eriksson, Olle/E-3265-2014; OI Iusan, Diana/0000-0001-7467-9317; Holmstrom, Erik/0000-0002-1198-3861; Nordblad, Per/0000-0002-4561-9996; Eriksson, Olle/0000-0001-5111-1374; Hjorvarsson, Bjorgvin/0000-0003-1803-9467 NR 31 TC 23 Z9 23 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 10 PY 2006 VL 96 IS 5 AR 057205 DI 10.1103/PhysRevLett.96.057205 PG 4 WC Physics, Multidisciplinary SC Physics GA 011FA UT WOS:000235252200072 PM 16486976 ER PT J AU Thompson, JD Nicklas, M Sidorov, VA Bauer, ED Movshovich, R Curro, NJ Sarrao, JL AF Thompson, JD Nicklas, M Sidorov, VA Bauer, ED Movshovich, R Curro, NJ Sarrao, JL TI Interplay of magnetism, structure and superconductivity in heavy-fermion systems CeMIn5 and PuMGa5 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE superconductors; heavy-fermions ID QUANTUM CRITICAL-POINT; UNCONVENTIONAL SUPERCONDUCTIVITY; PRESSURE; CERHIN5; CEIRIN5; PUCOGA5 AB Experiments that probe the normal and superconducting states of the heavy-fermion compounds CeMIn5, M=Co, Rh, Ir, consistently point to the dependence of superconductivity on magnetism and, consequently, to the conclusion that soft magnetic excitations produce Cooper pairing. A more limited number of experiments on the isostructural superconductors PuMGa5, M=Co, Rh, also are consistent with a magnetic pairing mechanism, but in these cases, the relationship between magnetism and superconductivity is less obvious. A connection between the Ce- and Pu-based families of unconventional superconductors is provided through a common dependence of their superconducting transition temperatures on lattice anisotropy and a weak structural distortion that may reflect a hybridization-induced change in magnetic fluctuations. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. Inst High Pressure Phys, Troitsk 142190, Moscow, Russia. RP Thompson, JD (reprint author), Los Alamos Natl Lab, MS K764, Los Alamos, NM 87545 USA. EM jdt@lanl.gov RI Bauer, Eric/D-7212-2011; Nicklas, Michael/B-6344-2008; Curro, Nicholas/D-3413-2009; OI Nicklas, Michael/0000-0001-6272-2162; Curro, Nicholas/0000-0001-7829-0237; Bauer, Eric/0000-0003-0017-1937 NR 35 TC 7 Z9 7 U1 2 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 16 EP 20 DI 10.1016/j.jallcom.2005.04.036 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300004 ER PT J AU Sawai, Y Kindo, K Zhang, L Janssen, Y Bruck, E Buschow, KHJ de Boer, FR AF Sawai, Y Kindo, K Zhang, L Janssen, Y Bruck, E Buschow, KHJ de Boer, FR TI The Gd-Fe exchange interaction in GdFe6Ga6 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE GdFe6Ga6; exchange-coupling constant; high-field magnetization AB We have investigated the Gd-Fe exchange-coupling strength in GdFe6Ga6 by means of magnetization measurements on single-crystalline powder particles that are free to rotate into their minimum-energy direction in the applied magnetic field. The experiments have been carried out at 4.2 K and at high magnetic fields up to 55 T in order to achieve bending of the Gd- and Fe-sublattice moments out of their initially collinear antiparallel configuration. The bending starts around 40 T and, from the magnetization behavior above this field value, the strength of the Gd-Fe exchange coupling J(GdFe)/k(B) has been determined to be -8.5 K. This value is discussed and is compared with earlier results on the RFe6Ga6 compounds with R = Dy, Ho, Er and Tm. (c) 2005 Elsevier B.V. All rights reserved. C1 Osaka Univ, KYOKUGEN, Osaka 5608531, Japan. Univ Amsterdam, Waals Zeeman Inst, NL-1018 XE Amsterdam, Netherlands. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Sawai, Y (reprint author), Osaka Univ, KYOKUGEN, Osaka 5608531, Japan. EM sawai@mag.rcem.osaka-u.ac.jp RI Bruck, Ekkes/E-3365-2014 NR 4 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 200 EP 202 DI 10.1016/j.jallcom.2005.04.030 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300051 ER PT J AU Akiyama, H Kaji, S Oomi, G Cho, BK Canfield, PC AF Akiyama, H Kaji, S Oomi, G Cho, BK Canfield, PC TI Effect of pressure on the superconducting properties and magnetism in HoNi2B2C SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE borocarbide; high pressure; superconductivity; antiferromagnetic order; electrical resistance ID TRANSITION; HEAT AB The electrical resistance of a single crystal of HoNi2B2C has been measured as a function of temperature (T) and magnetic field (H) under high pressure (P). As pressure increases, T-C decreases with the rate of partial derivative T-c/partial derivative P = -0.62 K/GPa but T-N, increases with partial derivative T-N/partial derivative P = 0.41 K/GPa. This implies that the superconductivity above T-N competes with antiferromagnetism. The re-entrant superconducting temperature coexisting with the antiferromagnetic phase is increased by applying pressure. The present result indicates that T-C coincides with T-N near 3.2 GPa. (c) 2005 Elsevier B.V. All rights reserved. C1 Kyushu Univ, Dept Phys, Fukuoka 8108560, Japan. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Oomi, G (reprint author), Kyushu Univ, Dept Phys, Fukuoka 8108560, Japan. EM oomi@rc.kyushu-u.ac.jp RI Canfield, Paul/H-2698-2014 NR 12 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 226 EP 229 DI 10.1016/j.jallcom.2005.04.062 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300058 ER PT J AU Loong, CK Ozawa, M Takeuchi, K Ui, K Koura, N AF Loong, CK Ozawa, M Takeuchi, K Ui, K Koura, N TI Neutron studies of rare earth-modified zirconia catalysts and yttrium-doped barium cerate proton-conducting ceramic membranes SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE three-way catalyst; neutron scattering; proton-conducting pervoskite; rare-earth modified zirconia; yttrium-doped barium cerate ID OXYGEN STORAGE CAPACITY; X-RAY; HEAT-TREATMENT; CERIA; DIFFRACTION; DEFECTS; POWDER; SCATTERING; PHASES; PURE AB The techniques of neutron scattering were applied to characterize two rare-earth containing ceramic systems: oxide-based automotive three-way catalysts and proton-conducting cerate-perovskite-based hydrogen-separation membranes. High-surface-area zirconias are widely used as catalytic support of noble metals in automotive three-way catalytic converters for exhaust gas treatment. Doping these oxides with rare-earth elements provides an important means in tailoring their properties for better catalytic performance. We have carried out in situ small-to-wide angle neutron diffraction at high temperatures and under controlled atmospheres to study the sintering behavior and the Ce3+ <-> ce(4+) redox process in CexZr1-xO2-delta solid solutions dispersed with Pt nanoparticles. We found substantial effects due to RE-doping on the nature of aggregation of nanoparticles, defect formation, crystal phase transformation, and metal-support interaction. Y-doped BaCe3 exhibits significant proton conductivity under a hydrogen-containing atmosphere at high temperatures. This system has high potential for applications as fuel-cell electrolytes, gas sensors, and ceramic membranes for hydrogen separation. We have performed in situ neutron diffraction to obtain information regarding the crystal phase evolution that permits dissolution of hydrogen and proton migration through the lattice. Neutron quasielastic- and inelastic-scattering experiments were carried out to investigate the proton dynamics from local vibrations to long-range diffusion. (c) 2005 Published by Elsevier B.V. C1 IPNS 360, Argonne Natl Lab, Argonne, IL 60439 USA. Nagoya Inst Technol, Gifu, Japan. Tokyo Univ Sci, Oshamambe, Japan. Tokyo Univ Sci, Hokkaido, Japan. Tokyo Univ Sci, Noda, Chiba 278, Japan. RP Loong, CK (reprint author), IPNS 360, Argonne Natl Lab, Argonne, IL 60439 USA. EM ckloong@anl.gov NR 20 TC 11 Z9 11 U1 1 U2 19 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 1065 EP 1070 DI 10.1016/j.jallcom.2004.12.195 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300240 ER PT J AU Srinivasan, TG Zanonato, PL Di Bernardo, P Bismondo, A Rao, LF AF Srinivasan, TG Zanonato, PL Di Bernardo, P Bismondo, A Rao, LF TI Complexation of thorium(IV) with malonate at variable temperatures SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE thorium; malonate; complexation; stability constants; enthalpy; entropy; temperature effect ID PARTIAL MOLAL PROPERTIES; HIGH-PRESSURES; ELEVATED-TEMPERATURES; URANIUM(VI); STANDARD; WATER; ELECTROLYTES; COEFFICIENTS; FORMULATION; HYDROLYSIS AB Complexation between thorium(IV) and malonate in 1.05 mol kg(-1) NaClO4 was studied from 10 to 70 degrees C by potentiometry and calorimetry. Three complexes, ThL2+, ThL2 and ThL32-, where L stands for malonate, were identified. The stability constants, the enthalpies and entropies of complexation at variable temperatures were determined. Despite that the enthalpies of complexation become more endothermic, the complexes become more stable due to increasingly larger entropies of complexation that exceed the unfavorable contribution of enthalpies of complexation at higher temperatures. The thermodynamic trends are explained in terms of an electrostatic model and the change in the structure of water with temperature. The data are compared with previous results on the complexation of U(VI) and Nd(III) with malonate and other carboxylate ligands. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy. CNR, Ist Chim Inorgan & Superfici, I-35127 Padua, Italy. RP Rao, LF (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM lrao@lbl.gov NR 31 TC 9 Z9 9 U1 2 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 1252 EP 1259 DI 10.1016/j.jallcom.2005.04.122 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300281 ER PT J AU Nankawa, T Suzuki, Y Ozaki, T Ohnuki, T Francis, AJ AF Nankawa, T Suzuki, Y Ozaki, T Ohnuki, T Francis, AJ TI Degradation of Eu(III)-malic acid complexes by Pseudomonas fluorescens SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE bacteria; degradation; europium(III); malic acid; pyruvic acid ID LANTHANIDES; ACTINIDE; TOXICITY; YTTRIUM; WASTES AB We studied the biodegradation of Eu(III)-malic acid complexes by Pseudomonas fluorescens. The bacterium degraded 10 mM acid in the presence of 0.05, 0.1, and 0.2 mM Eu(III), and also in its absence. The rate of degradation increased with decreasing ratios of Eu(III) to malic acid. These results suggest that the toxicity of Eu(III) can be masked through its complexation with malic acid. Unidentified metabolites associated with Eu(III) were produced as malic acid was broken down. Analyses by electrospray ionization mass spectrometry (ESI-MS) showed that one of them was pyruvic acid. Our findings suggest that the metabolites can influence the environmental behavior of Eu(III) by forming complexes with it. (c) 2005 Elsevier B.V. All rights reserved. C1 Japan Atom Energy Res Inst, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. Nagoya Univ, Grad Sch Engn, Dept Mat Phys & Energy Engn, Nagoya, Aichi 4648603, Japan. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Nankawa, T (reprint author), Japan Atom Energy Res Inst, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. EM nankawa@popsvr.tokai.jaeri.go.jp NR 18 TC 1 Z9 1 U1 1 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 1329 EP 1333 DI 10.1016/j.jallcom.2005.04.118 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300296 ER PT J AU Ozaki, T Suzuki, Y Nankawa, T Yoshida, T Ohnuki, T Kimura, T Francis, AJ AF Ozaki, T Suzuki, Y Nankawa, T Yoshida, T Ohnuki, T Kimura, T Francis, AJ TI Interactions of rare earth elements with bacteria and organic ligands SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT Rare Earths 2004 Conference CY NOV 07-12, 2004 CL Nara, JAPAN SP Rare Earth Soc Japan, ICFE 05, Org Comm, Japan Soc Promot Sci, Commemorat Org Japan World Exposit 70, Nara Convent Bur, Iwatani Naoji Fdn, Murata Sci Fdn, Izumi Sci & Technol Fdn, Kao Fdn Arts & Sci, Nippon Sheet Glass Fdn Mat Sci & Engn, Fdn Promot Mat Sci & Technol Japan, Asahi Glass Fdn DE rare earth elements; bacteria; organic ligands; coordination environment; biodegradation ID INDUCED FLUORESCENCE SPECTROSCOPY; PSEUDOMONAS-FLUORESCENS; DESFERRIOXAMINE B; METAL SPECIATION; COMPLEXES; EU(III); BIODEGRADATION; SIDEROPHORES; AERUGINOSA; MECHANISMS AB We investigated the interactions of rare earth elements (REEs) Eu(III) and/or Ce(III, IV) with the common soil bacterium Pseudomonas fluorescens and organic ligands, such as malic acid, citric acid, a siderophore (DFO), cellulose, chitin, and chitosan. Malic acid formed complexes with Eu(111), but degradation of malic acid was observed when the ratio of malic acid to Eu(IH) was higher than 100. Citric acid formed a stoichiometric complex with Eu(III) that was not degraded by R fluorescens. Adsorption of Eu(III) from the DFO complex occurred as a free ion dissociated from DFO and not as the Eu(III)-DFO complex. Cerium(III) was oxidized to Ce(IV) during complexation with DFO to form the Ce(IV)-DFO complex. Time-resolved laser-induced fluorescence spectroscopy (TRLFS) analysis showed that cellulose, chitin, and chitosan, respectively, formed a weak complex, an inner-spherical complex, and an outer-spherical complex with Eu(III). This method also demonstrated that the coordination environment of Eu(III) adsorbed on P fluorescens possessed similar characteristics to that of chitin, and revealed that adsorption of Eu(III) on P. fluorescens was through a multidentate and predominantly inner-spherical coordination. (c) 2005 Elsevier B.V. All rights reserved. C1 Japan Atom Energy Res Inst, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. Nagoya Univ, Dept Mat Phys & Energy Engn, Nagoya, Aichi 4648603, Japan. Japan Atom Energy Res Inst, Dept Mat Sci, Tokai, Ibaraki 3191195, Japan. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Ozaki, T (reprint author), Japan Atom Energy Res Inst, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. EM tozaki@popsvr.tokai.jaeri.go.jp NR 32 TC 26 Z9 27 U1 1 U2 32 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD FEB 9 PY 2006 VL 408 BP 1334 EP 1338 DI 10.1016/j.jallcom.2005.04.142 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 013YG UT WOS:000235445300297 ER PT J AU Zhai, HJ Wang, LS Zubarev, DY Boldyrev, AI AF Zhai, HJ Wang, LS Zubarev, DY Boldyrev, AI TI Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Letter ID TRANSITION-METAL CLUSTERS; BORON CLUSTERS; AB-INITIO; PHOTOELECTRON-SPECTROSCOPY; ELECTRONIC-STRUCTURE; IONS; B-3; ANTIAROMATICITY; DISSOCIATION; STABILITY AB We produced the B7Au2- mixed Cluster and studied its electronic structure and chemical bonding using photoelectron spectroscopy and ab initio calculations. The photoelectron spectra of B7Au2- were observed to be relatively simple with vibrational resolution, in contrast to the complicated spectra observed for pure B7(-), which had contributions from three isomers (Alexandrova et al. J. Phys. Chem. A 2004, 108, 3509). Theoretical calculations show that B7Au2- possesses all extremely stable planar structure, identical to that of B7H2-, demonstrating that An mimics H in its bonding to boron, analogous to the Au-Si bonding. The ground-state structure of B7Au2- (B7H2-) call be viewed its adding two Au (H) atoms to the terminal B atoms of a higher-lying planar isomer of B-7(-). Tile bonding and stability in the planar B7Au2- (B7H2-) Clusters are elucidated oil the basis of the strong covalent B-Au (H) bonding and the concepts of aromaticity/antiaromaticity in these systems. C1 Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov; boldyrev@cc.usu.edu RI Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 NR 29 TC 91 Z9 94 U1 1 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 9 PY 2006 VL 110 IS 5 BP 1689 EP 1693 DI 10.1021/jp0559074 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 011VU UT WOS:000235297400001 PM 16450996 ER PT J AU Goulay, F Leone, SR AF Goulay, F Leone, SR TI Low-temperature rate coefficients for the reaction of ethynyl radical (C2H) with benzene SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; TITANS ATMOSPHERE; INTERSTELLAR CLOUDS; ELEMENTARY REACTIONS; RATE-CONSTANT; ACETYLENE; KINETICS; MOLECULES; PHOTOCHEMISTRY; SPECTROSCOPY AB The reaction of the C2H radical with benzene is studied at low temperature using a pulsed Laval nozzle apparatus. The C2H radical is prepared by 193-nm photolysis of acetylene, and the C2H concentration is monitored using CH(A(2)Delta) chemiluminescence from the C2H + O-2 reaction. Measurements at very low photolysis energy are performed using CF3C2H as the C2H precursor to study the influence of benzene photodissociation on the rate coefficient. Rate coefficients are obtained over a temperature range between 105 and 298 K. The average rate coefficient is found to be five times greater than the estimated value presently used in the photochemical modeling of Titan's atmosphere. The reaction exhibits a slight negative temperature dependence which can be fitted to the expression k(cm(3) molecule(-1) s(-1)) = 3.28(+/- 1.0) x 10(-10) (T/298)(-0.18(+/- 0.18)). The results show that this reaction has no barrier and may play an important role in the formation of large molecules and aerosols at low temperature. Our results are consistent with the formation of a short lifetime intermediate that decomposes to give the final products. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu NR 47 TC 36 Z9 36 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 9 PY 2006 VL 110 IS 5 BP 1875 EP 1880 DI 10.1021/jp055637p PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 011VU UT WOS:000235297400025 PM 16451020 ER PT J AU Chen, HB Johnson, JK Sholl, DS AF Chen, HB Johnson, JK Sholl, DS TI Transport diffusion of gases is rapid in flexible carbon nanotubes SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; NEUTRON-SCATTERING EXPERIMENTS; ATOMISTIC SIMULATIONS; LIGHT GASES; ZEOLITE MEMBRANES; DIFFUSIVITIES; SILICALITE; FLOW; MIXTURES; REVERSE AB Molecular dynamics simulations of rigid, defect-free single-walled carbon nanotubes have previously suggested that the transport diffusivity of gases adsorbed in these materials can be orders of magnitude higher than any other nanoporous material (A. I. Skoulidas et al., Phys. Rev. Lett. 2002, 89, 185901). These simulations must overestimate the molecular diffusion coefficients because they neglect energy exhange between the diffusing molecules and the nanotube. Recently, Jakobtorweihen et al. have reported careful simulations of molecular self-diffusion that allow nanotube flexibility (Phys. Rev. Lett. 2005, 95, 044501). We have used the efficient thermostat developed by Jakobtorweihen et al. to examine the influence of nanotube flexibility on the transport diffusion of CH4 in (20,0) and (15,0) nanotubes. The inclusion of nanotube flexibility reduces the transport diffusion relative to the rigid nanotube by roughly an order of magnitude close to zero pressure, but at pressures above about I bar the transport diffusivities for flexible and rigid nanotubes are very similar, differing by less than a factor or two on average. Hence, the transport diffusivities are still extremely large compared to other known materials when flexibility is taken into account. C1 Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Univ Queensland, Div Chem Engn, St Lucia, Qld 4072, Australia. RP Sholl, DS (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM sholl@andrew.cmu.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 NR 47 TC 115 Z9 119 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 9 PY 2006 VL 110 IS 5 BP 1971 EP 1975 DI 10.1021/jp056911i PG 5 WC Chemistry, Physical SC Chemistry GA 011QX UT WOS:000235284300005 PM 16471771 ER PT J AU Cascales, JJL Otero, TF Smith, BD Gonzalez, C Marquez, M AF Cascales, JJL Otero, TF Smith, BD Gonzalez, C Marquez, M TI Model of an asymmetric DPPC/DPPS membrane: Effect of asymmetry on the lipid properties. A molecular dynamics simulation study SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PHOSPHATIDYLSERINE BILAYER-MEMBRANES; PARTICLE MESH EWALD; MAGNETIC-RESONANCE; ION-BINDING; WATER; DIPALMITOYLPHOSPHATIDYLCHOLINE; ELECTROSTATICS; DEUTERIUM; SYSTEMS; NACL AB The study of asymmetric lipid bilayers is of a crucial importance due to the great number of biological process in which they are involved such as exocytosis, intracellular fusion processes, phospholipid-protein interactions, and signal transduction pathway. In addition, the loss of this asymmetry is a hallmark of the early stages of apoptosis. In this regard, a model of an asymmetric lipid bilayer composed of DPPC and DPPS was simulated by molecular dynamics simulation. Thus, the asymmetric membrane was modeled by 264 lipids, of which 48 corresponded to DPPS- randomly distributed in the same leaflet with 96 DPPC. In the other leaflet, 120 DPPC were placed without DPPS-. Due to the presence of a net charge of -1 for the DPPS- in physiological conditions, 48 Na+ were introduced into the system to balance the charge. To ascertain whether the presence of the DPPS- in only one of the two leaflets perturbs the properties of the DPPC in the other leaflet composed only of DPPC, different properties were studied, such as the atomic density of the different components across the membrane, the electrostatic potential across the membrane, the translational diffusion of DPPC and DPPS, the deuterium order parameters, lipid hydration, and lipid-lipid charge bridges. Thus, we obtained that certain properties such as the surface area lipid molecule, lipid head orientation, order parameter, translational diffusion coefficient, or lipid hydration of DPPC in the leaflet without DPPS remain unperturbed by the presence of DPPS in the other leaflet, compared with a DPPC bilayer. On the other hand, in the leaflet containing DPPS, some of the DPPC properties were strongly affected by the presence of DPPS such as the order parameter or electrostatic potential. C1 Univ Politecn Cartagena, CEMI, Murcia 30203, Spain. Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. NIST, Gaithersburg, MD 20899 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. PMUSA, I NEST Grp, New Technol Res, Richmond, VA 23234 USA. RP Cascales, JJL (reprint author), Univ Politecn Cartagena, CEMI, Aulario II,Campus Alfonso XIII, Murcia 30203, Spain. EM javier.lopez@upct.es RI OTERO, TORIBIO/C-8348-2009; OI OTERO, TORIBIO/0000-0002-8517-1428; Lopez Cascales, Jose Javier/0000-0003-1071-7024 NR 32 TC 31 Z9 31 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 9 PY 2006 VL 110 IS 5 BP 2358 EP 2363 DI 10.1021/jp0562680 PG 6 WC Chemistry, Physical SC Chemistry GA 011QX UT WOS:000235284300059 ER PT J AU Gleckler, PJ Wigley, TML Santer, BD Gregory, JM AchutaRao, K Taylor, KE AF Gleckler, PJ Wigley, TML Santer, BD Gregory, JM AchutaRao, K Taylor, KE TI Krakatoa's signature persists in the ocean SO NATURE LA English DT Editorial Material ID VOLCANIC-ERUPTIONS C1 Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Univ Reading, Dept Meteorol, Reading RG6 6BB, Berks, England. Met Off Hadley Ctr, Exeter EX1 3PB, Devon, England. RP Gleckler, PJ (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. EM pgleckler@llnl.gov RI Wigley, Tom/B-4705-2008; Taylor, Karl/F-7290-2011; Santer, Benjamin/F-9781-2011; Gleckler, Peter/H-4762-2012; Gregory, Jonathan/J-2939-2016 OI Taylor, Karl/0000-0002-6491-2135; Gleckler, Peter/0000-0003-2816-6224; Gregory, Jonathan/0000-0003-1296-8644 NR 6 TC 47 Z9 49 U1 5 U2 37 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD FEB 9 PY 2006 VL 439 IS 7077 BP 675 EP 675 DI 10.1038/439675a PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 010KH UT WOS:000235193100033 PM 16467829 ER PT J AU Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M AF Link, JM Yager, PM Anjos, JC Bediaga, I Gobel, C Machado, AA Magnin, J Massafferri, A de Miranda, JM Pepe, IM Polycarpo, E dos Reis, AC Carrillo, S Casimiro, E Cuautle, E Sanchez-Hernandez, A Uribe, C Vazquez, F Agostino, L Cinquini, L Cumalat, JP O'Reilly, B Segoni, I Stenson, K Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Wang, M Benussi, L Bertani, M Bianco, S Fabbri, FL Zallo, A Reyes, M Cawlfield, C Kim, DY Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Boschini, M Cerutti, A D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Inzani, P Leveraro, F Malvezzi, S Menasce, D Mezzadri, M Moroni, L Pedrini, D Pontoglio, C Prelz, F Rovere, M Sala, S Davenport, TF Arena, V Boca, G Bonomi, G Gianini, G Liguori, G Pegna, DL Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Paris, A Quinones, J Ramirez, JE Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Luiggi, E Moore, JE Nehring, M Sheldon, PD Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI A non-parametric approach to the D+->(K)over-bar(*0)mu(+)v form factors SO PHYSICS LETTERS B LA English DT Article ID FACTOR RATIOS; DECAY AB Using a large sample of D+ -> K(-)pi(+)mu(+)v decays collected by the FOCUS photoproduction experiment at Fermilab, we present the first measurements of the helicity basis form factors free from the assumption of spectroscopic pole dominance. We also present the first information on the form factor that controls the s-wave interference discussed in a previous paper by the FOCUS Collaboration. We find reasonable agreement with the usual assumption of spectroscopic pole dominance and measured form factor ratios. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Illinois, Urbana, IL 61801 USA. Univ Calif Davis, Davis, CA 95616 USA. Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Colorado, Boulder, CO 80309 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Guanajuato, Leon 37150, Guanajuato, Spain. Indiana Univ, Bloomington, IN 47405 USA. Korea Univ, Seoul 136701, South Korea. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, Milan, Italy. Univ N Carolina, Asheville, NC 28804 USA. Ist Nazl Fis Nucl, I-27100 Pavia, Italy. Univ Pavia, Dipartimento Fis Nucl & Teor, I-27100 Pavia, Italy. Univ Puerto Rico, Mayaguez, PR 00681 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Tennessee, Knoxville, TN 37996 USA. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Univ Illinois, Urbana, IL 61801 USA. EM doriskim@mail.hep.uiuc.edu RI Bonomi, Germano/G-4236-2010; Kwak, Jungwon/K-8338-2012; Anjos, Joao/C-8335-2013; Link, Jonathan/L-2560-2013; Benussi, Luigi/O-9684-2014; Gobel Burlamaqui de Mello, Carla /H-4721-2016 OI Bonomi, Germano/0000-0003-1618-9648; Link, Jonathan/0000-0002-1514-0650; Benussi, Luigi/0000-0002-2363-8889; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X NR 12 TC 13 Z9 13 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 9 PY 2006 VL 633 IS 2-3 BP 183 EP 189 DI 10.1016/j.physletb.2005.12.003 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GB UT WOS:000235098500008 ER PT J AU Denz, H Amaudruz, P Brack, JT Breitschopf, J Camerini, P Clark, JL Clement, H Felawka, L Fragiacomo, E Gibson, EF Grion, N Hofman, GJ Jamieson, B Mathie, EL Meier, R Moloney, G Ottewell, D Patarakin, O Patterson, JD Pavan, MM Piano, S Raywood, K Ristinen, RA Rui, R Sevior, ME Smith, GR Stahov, J Tacik, R Wagner, GJ von Wrochem, F Yeomans, DM AF Denz, H Amaudruz, P Brack, JT Breitschopf, J Camerini, P Clark, JL Clement, H Felawka, L Fragiacomo, E Gibson, EF Grion, N Hofman, GJ Jamieson, B Mathie, EL Meier, R Moloney, G Ottewell, D Patarakin, O Patterson, JD Pavan, MM Piano, S Raywood, K Ristinen, RA Rui, R Sevior, ME Smith, GR Stahov, J Tacik, R Wagner, GJ von Wrochem, F Yeomans, DM TI pi(+/-) p differential cross sections at low energies SO PHYSICS LETTERS B LA English DT Article ID ELASTIC-SCATTERING; WAVES AB Differential cross sections for pi(-)p and pi(+)p elastic scattering were measured at five energies between 19.9 and 43.3 MeV. The use of the CHAOS magnetic spectrometer at TRIUMF, supplemented by a range telescope for muon background suppression, provided simultaneous coverage of a large part of the full angular range, thus allowing very precise relative cross section measurements. The absolute normalisation was determined with a typical accuracy of 5%. This was verified in a simultaneous measurement of muon proton elastic scattering. The measured cross sections show some deviations from phase shift analysis predictions, in particular at large angles and low energies. From the new data we determine the real part of the isospin forward scattering amplitude. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Tubingen, Inst Phys, D-72076 Tubingen, Germany. TRIUMF, Vancouver, BC V6T 2A3, Canada. Univ Colorado, Boulder, CO 80309 USA. Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Melbourne, Sch Phys, Parkville, Vic 3052, Australia. Calif State Univ Sacramento, Sacramento, CA 95819 USA. Univ Regina, Regina, SK S4S 0A2, Canada. IV Kurchatov Atom Energy Inst, Moscow 123182, Russia. Jefferson Lab, Newport News, VA 23006 USA. Univ Tuzla, Fac Sci, Tuzla 35000, Bosnia & Herceg. RP Univ Tubingen, Inst Phys, Morgenstelle 14, D-72076 Tubingen, Germany. EM denz@pit.physik.uni-tuebingen.de RI Rui, Rinaldo/L-1926-2015 OI Rui, Rinaldo/0000-0002-6993-0332 NR 24 TC 13 Z9 13 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 9 PY 2006 VL 633 IS 2-3 BP 209 EP 213 DI 10.1016/j.physletb.2005.12.017 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GB UT WOS:000235098500012 ER PT J AU Schiller, A Voinov, A Algin, E Becker, JA Bernstein, LA Garrett, PE Guttormsen, M Nelson, RO Rekstad, J Siem, S AF Schiller, A Voinov, A Algin, E Becker, JA Bernstein, LA Garrett, PE Guttormsen, M Nelson, RO Rekstad, J Siem, S TI Low-energy M1 excitation mode in Yb-172 SO PHYSICS LETTERS B LA English DT Article DE radiative strength function; M1 resonance; scissors mode; statistical spectroscopy; two-step-cascade intensities ID RAY STRENGTH FUNCTIONS; RADIATIVE STRENGTH; DIPOLE TRANSITIONS; NEUTRON-CAPTURE; NUCLEI; SPECTRA; RESONANCE; GD-156 AB The multipolarity of a soft (E gamma = 3.3(1) MeV) resonance in the total radiative strength function (RSF) of Yb-172 is determined. For this reason, the level density and total RSF of Yb-172 have been extracted from primary-gamma spectra from the Yb-173(He-3,alpha gamma)Yb-172 reaction. In a second experiment, two-step-cascade (TSC) intensities have been measured in the Yb-171(n(th), gamma gamma)Yb-172 reaction. These intensities are compared to statistical-model calculations which are entirely based on experimental values of the level density and RSF from the former experiment. This comparison implies M1 assignment of the soft resonance. The strength of the M1 resonance is B(M1 up arrow) = 6.5(15) mu(N)(2). (c) 2005 Elsevier B.V. All rights reserved. C1 MSU, NSCL, E Lansing, MI 48824 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Joint Inst Nucl Res, Frank Lab Neutron Phys, Dubna 141980, Moscow Region, Russia. Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA. N Carolina State Univ, Raleigh, NC 27695 USA. Triangle Univ Nucl Lab, Durham, NC 27708 USA. Eskisehir Osmangazi Univ, Dept Phys, TR-26480 Eskisehir, Turkey. Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. Univ Oslo, Dept Phys, N-0316 Oslo, Norway. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schiller, A (reprint author), MSU, NSCL, 164 S Shaw Lane, E Lansing, MI 48824 USA. EM schiller@nscl.msu.edu NR 38 TC 25 Z9 25 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD FEB 9 PY 2006 VL 633 IS 2-3 BP 225 EP 230 DI 10.1016/j.physletb.2005.12.043 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GB UT WOS:000235098500015 ER PT J AU Kharzeev, D AF Kharzeev, D TI Parity violation in hot QCD: Why it can happen, and how to look for it SO PHYSICS LETTERS B LA English DT Article ID HEAVY-ION COLLISIONS; FINITE ISOSPIN DENSITY; QUANTUM CHROMODYNAMICS; GAUGE-THEORIES; HIGH-ENERGY; SYMMETRY-BREAKING; THETA DEPENDENCE; WILSON FERMIONS; ODD BUBBLES; LATTICE QCD AB The arguments for the possibility of violation of P and CP symmetries of strong interactions at finite temperature are presented. A new way of observing these effects in heavy ion collisions is proposed-it is shown that parity violation should manifest itself in the asymmetry between positive and negative pions with respect to the reaction plane. Basing on topological considerations, we derive a lower bound on the magnitude of the expected asymmetry, which may appear within the reach of the current and/or future heavy ion experiments. (c) 2005 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kharzeev, D (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM kharzeev@bnl.gov NR 52 TC 252 Z9 257 U1 3 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD FEB 9 PY 2006 VL 633 IS 2-3 BP 260 EP 264 DI 10.1016/j.physletb.2005.11.075 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GB UT WOS:000235098500020 ER PT J AU Ejiri, S Karsch, F Redlich, K AF Ejiri, S Karsch, F Redlich, K TI Hadronic fluctuations at the QCD phase transition SO PHYSICS LETTERS B LA English DT Article ID QUARK-GLUON PLASMA; NUCLEUS-NUCLEUS COLLISIONS; LATTICE QCD; NUMBER SUSCEPTIBILITY; 2-FLAVOR QCD; THERMODYNAMICS; MODEL AB We discuss the properties of hadronic fluctuations, i.e., fluctuations of net quark and isospin numbers as well as electric charge, in the vicinity of the QCD transition in isospin-symmetric matter at vanishing quark chemical potential. We analyse second-and fourth-order cumulants of these fluctuations and argue that the ratio of quartic and quadratic cumulants reflects the relevant degrees of freedom that carry the quark number, isospin or charge, respectively. In the hadronic phase we find that an enhancement of charge fluctuations arises from contributions of doubly charged hadrons to the thermodynamics. The rapid suppression of fluctuations seen in the high-temperature phase suggests that in the QGP, net quark number and electric charge are predominantly carried by quasi-particles, with the quantum numbers of quarks. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. Univ Bielefeld, Fac Phys, D-33615 Bielefeld, Germany. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. CERN, Div Theory, Dept Phys, CH-1211 Geneva 23, Switzerland. RP Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. EM redlich@ift.uni.wroc.pl NR 38 TC 164 Z9 165 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD FEB 9 PY 2006 VL 633 IS 2-3 BP 275 EP 282 DI 10.1016/j.physletb.2005.11.083 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GB UT WOS:000235098500023 ER PT J AU Ding, SY Himmel, ME AF Ding, SY Himmel, ME TI The maize primary cell wall microfibril: A new model derived from direct visualization SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE microfibril; elementary fibril; maize,cellulose; plant cell wall; atomic force microscopy ID ATOMIC-FORCE MICROSCOPY; CESA GENE FAMILY; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; SYNCHROTRON X-RAY; HIGHER-PLANT-CELL; CELLULOSE BIOSYNTHESIS; CRYSTALLINE CELLULOSE; NATIVE CELLULOSES; MIXED-LINKAGE AB Understanding the molecular architecture of the plant cell wall is critical to reducing the biomass recalcitrance problem, which currently impedes economic bioconversion processing. The parenchyma cell walls from field senesced, maize stem pith have been directly visualized without extraction processes using high-resolution atomic force microscopy (AFM). By imaging the cell wall inner surfaces from different cells and different faces of the same cell, we were able to map the native primary cell wall ultrastructures. Depending on the thickness of non-cellulosic deposition, the parallel-microfibrils appear in various morphologies ranging from clearly defined to completely embedded in the wall matrixes forming cell wall lamella. Macrofibrils were found to exist only on the uppermost layer of the native primary cell wall and appeared to be bundles of elementary fibrils. This novel observation led us to a new hypothesis for the cell wall fibrillar network and biosynthesis processes. Put concisely, a number of elementary fibrils are synthesized at one locus, that of the cellulose synthase complex (CelS), and coalesce into much larger macrofibrils. These macrofibrils eventually split at the ends to form parallel microfibrils with deposition of other cell wall components (i.e. hemicelluloses, pectin, etc.) also evident. On the basis of these AFM surface measurements and current supportive evidence from cell wall biophysics, biosynthesis, and genomics, we propose a new molecular model consisting of a 36-glucan-chain elementary fibril, in which the 36-glucan chains form both crystalline and subcrystalline structures. We also propose a modified model of CelS based on recently reported experimental evidence from plant cell wall biosynthesis. C1 Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Ding, SY (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 1617 Cole Blvd, Golden, CO 80401 USA. EM shi_you_ding@nrel.gov RI Ding, Shi-You/O-1209-2013 NR 55 TC 250 Z9 258 U1 10 U2 111 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD FEB 8 PY 2006 VL 54 IS 3 BP 597 EP 606 DI 10.1021/jf051851z PG 10 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 011EC UT WOS:000235249800001 PM 16448156 ER PT J AU Schnell, I Albers, RC AF Schnell, I Albers, RC TI Zirconium under pressure: phase transitionsand thermodynamics SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; TEMPERATURE-DEPENDENCE; AB-INITIO; ZR; ENERGY; TI; HF; COMPRESSION; METALS; ACCURATE AB In this paper, the full-potential linearized augmented plane-wave (LAPW) method within the generalized gradient approximation (GGA) was used to calculate the effect of hydrostatic pressure at zero temperature on the 4d transition metal zirconium. For the hexagonal close-packed (hcp), omega (omega), and body-centred cubic (bcc) structures the enthalpy, H = E + pV, was calculated as a function of pressure p. We obtained an omega to bcc transition pressure of 28.2 GPa. Temperature-dependent contributions were obtained from tight-binding calculations of the phonons in the quasiharmonic approximation and were used to calculate the Gibbs free energy as a function of both temperature T and pressure for these three structures. From the comparison of these free energies the phase boundaries were calculated in the T-p phase diagram, and compared to the experimentally determined boundaries. We discuss the importance of anharmonicity for understanding the material properties of zirconium, and limitations of quasiharmonic phonon theories for predicting phase transformations. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Schnell, I (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ilan@viking.lanl.gov NR 36 TC 26 Z9 26 U1 1 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD FEB 8 PY 2006 VL 18 IS 5 BP 1483 EP 1494 DI 10.1088/0953-8984/18/5/001 PG 12 WC Physics, Condensed Matter SC Physics GA 020PG UT WOS:000235921400004 ER PT J AU Lewis, LH Yoder, D Moodenbaugh, AR Fischer, DA Yu, MH AF Lewis, LH Yoder, D Moodenbaugh, AR Fischer, DA Yu, MH TI Magnetism and the defect state in the magnetocaloric antiperovskite Mn3GaC1-delta SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID TRANSITION-TEMPERATURE; ELECTRONIC-STRUCTURE; COMPOUND MN3GAC; PRESSURE; PEROVSKITE; FIELD; MN3GA1-XALXC; MANGANESE; LATTICE; SPIN AB Magnetic and spectroscopic techniques were used to study the intermetallic antiperovskite Mn3GaC. An anti ferromagnetic-ferromagnetic magnetostructural transition at 160 K underlies a remarkable magnetocaloric effect; these phenomena are suppressed in the substoichiometric composition Mn3GaC1-delta. X-ray absorption spectroscopy (XAS) data reported for three compositions Mn3GaC1-delta, delta = 0, 0.10, 0.22, are the basis for drawing inferences concerning the mechanism controlling magnetic order as a function of carbon stoichiometry. While the temperature dependence of the Mn3GaC carbon K edge reveals no observable change across the first-order magnetic transition, a clear splitting of the carbon absorption bands is observed that increases with increasing carbon deficiency. The room temperature Mn and Ga K edges indicate no significant variation with C content. FEFF 8.2 code calculations are in good qualitative agreement with data for the stoichiometric sample, but do not predict the changes in XAS observed in C-deficient samples. These results and the Goodenough-Anderson-Kanamori rules are the basis for a phenomenological model that attributes the carbon content dependence of the low temperature transition to the promotion of weak near-neighbour 90 degrees Mn-Mn pairs in the carbon-deficient compound over the stronger 180 degrees Mn-C-Mn interaction, locking in dominant ferromagnetism at low temperatures. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. NIST, Mat Sci & Engn Lab, Gaithersburg, MD 20899 USA. RP Lewis, LH (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Bldg 480, Upton, NY 11973 USA. EM LHLewis@bnl.gov OI Moodenbaugh, Arnold/0000-0002-3415-6762 NR 33 TC 28 Z9 28 U1 3 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD FEB 8 PY 2006 VL 18 IS 5 BP 1677 EP 1686 DI 10.1088/0953-8984/18/5/020 PG 10 WC Physics, Condensed Matter SC Physics GA 020PG UT WOS:000235921400023 ER PT J AU Shailos, A Ashok, A Bird, JP Akis, R Ferry, DK Goodnick, SM Lilly, MP Reno, JL Simmons, JA AF Shailos, A Ashok, A Bird, JP Akis, R Ferry, DK Goodnick, SM Lilly, MP Reno, JL Simmons, JA TI Linear conductance of quantum point contacts with deliberately broken symmetry SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID DIMENSIONAL ELECTRON-GAS; QUANTIZED CONDUCTANCE; WIRES; CONSTRICTION; PLATEAUS AB We investigate the linear transport properties of quantum point contacts (QPCs) whose symmetry is deliberately broken in a controlled manner. The devices that we study consist of a conventional split-gate QPC, which is modified by the inclusion of an additional perturbing gate that is used to modulate the electron density on one side of the device. As the voltage applied to this 'finger gate' is varied, we observe several reproducible features below the last integer plateau, as well as strong modifications of the integer-plateau staircase. Self-consistent calculations, performed for the exact device structure utilized in experiment, suggest that these features are related to the ability of the finger gate to strongly disrupt the symmetry of the QPC, reducing the electron density significantly on one side of the device. We discuss these results within the context of recent models for many-body electron transport in QPCs. C1 Arizona State Univ, Dept Elect Engn, Nanostruct Res Grp, Tempe, AZ 85287 USA. SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. Sandia Natl Labs, Nanostruct & Semicond Phys Dept, Albuquerque, NM 87185 USA. RP Shailos, A (reprint author), Arizona State Univ, Dept Elect Engn, Nanostruct Res Grp, Tempe, AZ 85287 USA. RI Bird, Jonathan/G-4068-2010; OI Bird, Jonathan/0000-0002-6966-9007; Akis, Richard/0000-0002-4366-1891 NR 29 TC 19 Z9 19 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD FEB 8 PY 2006 VL 18 IS 5 BP 1715 EP 1724 DI 10.1088/0953-8984/18/5/024 PG 10 WC Physics, Condensed Matter SC Physics GA 020PG UT WOS:000235921400027 ER PT J AU Zheng, GQ Matano, K Meng, RL Cmaidalka, J Chu, CW AF Zheng, GQ Matano, K Meng, RL Cmaidalka, J Chu, CW TI Na content dependence of superconductivity and the spin correlations in NaxCoO2 center dot 1 center dot 3H(2)O SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID NAXCOO2; MODEL AB We report systematic measurements using the Co-59 nuclear quadrupole resonance (NQR) technique on the cobalt oxide superconductors NaxCoO2.1.3H(2)O over a wide Na content range x = 0.25-0.34. We find that T, increases with decreasing x but reaches a plateau for x <= 0.28. In the sample with x similar to 0.26, the spin-lattice relaxation rate 1/T-1 shows a T-3 variation below T-c and down h, to T similar to T-c/6, which unambiguously indicates the presence of line nodes in the superconducting (SC) gap function. However, for larger or smaller x, 1/T-1 deviates from the T-3 variation below T similar to 2 K even though the T-c (similar to 4.7 K) is similar, which suggests an unusual evolution of the SC state. In the normal state, the spin correlations at a finite wavevector become stronger upon decreasing x, and the density of states at the Fermi level increases with decreasing x, which can be understood in terms of a single-orbital picture suggested on the basis of LDA calculation. C1 Okayama Univ, Dept Phys, Okayama 7008530, Japan. Univ Houston, Dept Phys, Houston, TX 77204 USA. Univ Houston, TCSAM, Houston, TX 77204 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Hong Kong Univ Sci & Technol, Hong Kong, Peoples R China. RP Zheng, GQ (reprint author), Okayama Univ, Dept Phys, Okayama 7008530, Japan. EM zheng@psun.phys.okayama-u.ac.jp RI MATANO, Kazuaki/B-2629-2011; Zheng, Guo-qing/B-1524-2011 NR 35 TC 55 Z9 56 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD FEB 8 PY 2006 VL 18 IS 5 BP L63 EP L70 DI 10.1088/0953-8984/18/5/L02 PG 8 WC Physics, Condensed Matter SC Physics GA 020PG UT WOS:000235921400002 ER PT J AU Harper, JK Grant, DM Zhang, YG Lee, PL Von Dreele, R AF Harper, JK Grant, DM Zhang, YG Lee, PL Von Dreele, R TI Characterizing challenging microcrystalline solids with solid-state NMR shift tensor and synchrotron X-ray powder diffraction data: Structural analysis of ambuic acid SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CORRELATION-ENERGY; CRYSTAL STRUCTURES; C-13; SPECTROSCOPY; VALIDATION; DENSITY AB Synchrotron X-ray powder diffraction and solid-state C-13 NMR shift tensor data are combined to provide a unique path to structure in microcrystalline organic solids. Analysis is demonstrated on ambuic acid powder, a widely occurring natural product, to provide the complete crystal structure. The NMR data verify phase purity, specify one molecule per asymmetric unit, and provide an initial structural model including relative stereochemistry and molecular conformation. A refinement of X-ray data from the initial model establishes that ambuic acid crystallizes in the P2(1) space group with unit cell parameters a = 15.5047(7), b = 4.3904(2), and c = 14.1933(4) angstrom and beta = 110.3134(3)degrees. This combined analysis yields structural improvements at two dihedral angles over prior NMR predictions with differences of 103 degrees and 37 degrees found. Only minor differences of +/- 5.5 degrees, on average, are observed at all remaining dihedral angles. Predicted hydroxyl hydrogen-bonding orientations also fit NMR predictions within +/- 6.9 degrees. This refinement corrects chemical shift assignments at two carbons and reduces the NMR error by similar to 16%. This work demonstrates that the combination of long-range order information from synchrotron powder diffraction data together with the accurate shorter range structure given by solid-state NMR measurements is a powerful tool for studying challenging organic solids. C1 Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Grant, DM (reprint author), Univ Utah, Dept Chem, 315 South 1400 East, Salt Lake City, UT 84112 USA. EM grant@chemistry.utah.edu FU NIGMS NIH HHS [5R01GM08521-42] NR 34 TC 39 Z9 39 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 8 PY 2006 VL 128 IS 5 BP 1547 EP 1552 DI 10.1021/ja055570j PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 010UZ UT WOS:000235224700046 PM 16448125 ER PT J AU Casula, MF Jun, YW Zaziski, DJ Chan, EM Corrias, A Alivisatos, AP AF Casula, MF Jun, YW Zaziski, DJ Chan, EM Corrias, A Alivisatos, AP TI The concept of delayed nucleation in nanocrystal growth demonstrated for the case of iron oxide nanodisks SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SOL-GEL SYNTHESIS; CDSE NANOCRYSTALS; MONODISPERSE NANOCRYSTALS; NANOPARTICLES; SIZE; CRYSTALLINE; PARTICLES; EVOLUTION; FE; CLUSTERS AB A comprehensive study of iron oxide nanocrystal growth through non-hydrolitic, surfactant-mediated thermal reaction of iron pentacarbonyl and an oxidizer has been conducted, which includes size control, anisotropic shape evolution, and crystallographic phase transition of monodisperse iron oxide colloidal nanocrystals. The reaction was monitored via in situ UV-vis spectroscopy, taking advantage of the color change accompanying the iron oxide colloid formation, allowing measurement of the induction time for nucleation. Features of the synthesis such as the size control and reproducibility are related to the occurrence of the observed delayed nucleation process. As a separate source of iron and oxygen is adopted, phase control could also be achieved by sequential injections of oxidizer. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Cagliari, Dipartimento Sci Chim, I-09042 Cagliari, Italy. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Casula, MF (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM casulaf@unica.it; alivis@uclink4.berkeley.edu RI Jun, Young-wook/A-4141-2008; Corrias, Anna/F-5547-2010; Corrias, Anna/D-8623-2013; Alivisatos , Paul /N-8863-2015 OI Corrias, Anna/0000-0002-5190-8196; Alivisatos , Paul /0000-0001-6895-9048 NR 39 TC 186 Z9 188 U1 7 U2 62 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 8 PY 2006 VL 128 IS 5 BP 1675 EP 1682 DI 10.1021/ja056139x PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 010UZ UT WOS:000235224700062 PM 16448141 ER PT J AU Bratko, D Cellmer, T Prausnitz, JM Blanch, HW AF Bratko, D Cellmer, T Prausnitz, JM Blanch, HW TI Effect of single-point sequence alterations on the aggregation propensity of a model protein SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO SIMULATIONS; ACID INTERACTION ENERGIES; BETA-AMYLOID PEPTIDE; FOLDING THERMODYNAMICS; FIBRIL FORMATION; POLYALANINE PEPTIDES; LATTICE-MODEL; IN-VITRO; KINETICS AB Sequences of contemporary proteins are believed to have evolved through a process that optimized their overall fitness, including their resistance to deleterious aggregation. Biotechnological processing may expose therapeutic proteins to conditions that are much more conducive to aggregation than those encountered in a cellular environment. An important task of protein engineering is to identify alternative sequences that would protect proteins when processed at high concentrations without altering their native structure associated with specific biological function. Our computational studies exploit parallel tempering simulations of coarse-grained model proteins to demonstrate that isolated amino acid residue substitutions can result in significant changes in the aggregation resistance of the protein in a crowded environment while retaining protein structure in isolation. A thermodynamic analysis of protein clusters subject to competing processes of folding and association shows that moderate mutations can produce effects similar to those caused by changes in system conditions, including temperature, concentration, and solvent composition, that affect the aggregation propensity. The range of conditions where a protein can resist aggregation can therefore be tuned by sequence alterations, although the protein generally may retain its generic ability for aggregation. C1 Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA. EM dbratko@vcu.edu NR 54 TC 11 Z9 11 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD FEB 8 PY 2006 VL 128 IS 5 BP 1683 EP 1691 DI 10.1021/ja056837h PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 010UZ UT WOS:000235224700063 PM 16448142 ER PT J AU Parham, JF Feldman, CR Boore, JL AF Parham, JF Feldman, CR Boore, JL TI The complete mitochondrial genome of the enigmatic bigheaded turtle (Platysternon): description of unusual genomic features and the reconciliation of phylogenetic hypotheses based on mitochondrial and nuclear DNA SO BMC EVOLUTIONARY BIOLOGY LA English DT Article ID EVOLUTIONARY TREES; SEQUENCE EVOLUTION; INFERENCE; AMPLIFICATION; MRBAYES; BIRDS; MODEL AB Background: The big-headed turtle (Platysternon megacephalum) from east Asia is the sole living representative of a poorly-studied turtle lineage (Platysternidae). It has no close living relatives, and its phylogenetic position within turtles is one of the outstanding controversies in turtle systematics. Platysternon was traditionally considered to be close to snapping turtles (Chelydridae) based on some studies of its morphology and mitochondrial (mt) DNA, however, other studies of morphology and nuclear ( nu) DNA do not support that hypothesis. Results: We sequenced the complete mt genome of Platysternon and the nearly complete mt genomes of two other relevant turtles and compared them to turtle mt genomes from the literature to form the largest molecular dataset used to date to address this issue. The resulting phylogeny robustly rejects the placement of Platysternon with Chelydridae, but instead shows that it is a member of the Testudinoidea, a diverse, nearly globally-distributed group that includes pond turtles and tortoises. We also discovered that Platysternon mtDNA has large-scale gene rearrangements and possesses two, nearly identical, control regions, features that distinguish it from all other studied turtles. Conclusion: Our study robustly determines the phylogenetic placement of Platysternon and provides a well-resolved outline of major turtle lineages, while demonstrating the significantly greater resolving power of comparing large amounts of mt sequence over that of short fragments. Earlier phylogenies placing Platysternon with chelydrids required a temporal gap in the fossil record that is now unnecessary. The duplicated control regions and gene rearrangements of the Platysternon mtDNA probably resulted from the duplication of part of the genome and then the subsequent loss of redundant genes. Although it is possible that having two control regions may provide some advantage, explaining why the control regions would be maintained while some of the duplicated genes were eroded, examples of this are rare. So far, duplicated control regions have been reported for mt genomes from just 12 clades of metazoans, including Platysternon. C1 DOE Joint Genome Inst, Dept Evolutionary Genom, Walnut Creek, CA 94598 USA. Lawrence Berkeley Natl Lab, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Museum Paleontol, Berkeley, CA 94720 USA. Utah State Univ, Dept Biol, Logan, UT 84322 USA. Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. RP Parham, JF (reprint author), DOE Joint Genome Inst, Dept Evolutionary Genom, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM parham@socrates.berkeley.edu; elgaria@biology.usu.edu; jlboore@berkeley.edu NR 56 TC 51 Z9 58 U1 0 U2 10 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2148 J9 BMC EVOL BIOL JI BMC Evol. Biol. PD FEB 7 PY 2006 VL 6 AR 11 DI 10.1186/1471-2148-6-11 PG 11 WC Evolutionary Biology; Genetics & Heredity SC Evolutionary Biology; Genetics & Heredity GA 022CO UT WOS:000236032500001 PM 16464263 ER PT J AU Petkov, V Gateshki, M Niederberger, M Ren, Y AF Petkov, V Gateshki, M Niederberger, M Ren, Y TI Atomic-scale structure of nanocrystalline BaxSr1-xTiO3 (x=1, 0.5, 0) by X-ray diffraction and the atomic pair distribution function technique SO CHEMISTRY OF MATERIALS LA English DT Article ID BARIUM-TITANATE; PHASE-TRANSFORMATIONS; STRONTIUM-TITANATE; THIN-FILMS; CRYSTALLINE; MECHANISM; BATIO3; SIZE; NANOPARTICLES; REFINEMENT AB The atomic-scale structure of nanocrystalline BaxSr1-xTiO3 (X = 1, 0.5, 0) powders has been studied using high-energy X-ray diffraction, Rietveld refinement, and the atomic pair distribution function technique. The studies show that the materials are well-ordered at nanometer length distances. The three-dimensional atomic ordering in Ba0.5Sr0.5O3 and SrTiO3 nanopowders may well be described by a cubic structure of the perovskite type, similar to that occurring in the corresponding bulk crystals. The three-dimensional atomic ordering in BaTiO3 is more complex. It is cubic-like on average, but locally shows slight distortions of a tetragonal-type. The new structural information helps one to understand better the dielectric properties of these nanomaterials. C1 Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. Max Planck Inst Colloids & Interfaces, D-14424 Potsdam, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Petkov, V (reprint author), Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA. EM petkov@phy.cmich.edu RI Niederberger, Markus/A-6144-2008 OI Niederberger, Markus/0000-0001-6058-1183 NR 49 TC 58 Z9 60 U1 4 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD FEB 7 PY 2006 VL 18 IS 3 BP 814 EP 821 DI 10.1021/cm052145g PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 010HB UT WOS:000235177100035 ER PT J AU Mozharivskyj, Y Janssen, Y Harringa, JL Kracher, A Tsokol, AO Miller, GJ AF Mozharivskyj, Y Janssen, Y Harringa, JL Kracher, A Tsokol, AO Miller, GJ TI Zn13Sb10: A structural and Landau theoretical analysis of its phase transitions SO CHEMISTRY OF MATERIALS LA English DT Article ID PROMISING THERMOELECTRIC-MATERIAL; PHONON-GLASS; ZN4SB3; ZINC; ALPHA-ZN4SB3; BETA-ZN4SB3; CRYSTALS AB Composition, crystal structures, polymorphic transformations, and stability of the thermoelectric material known in the literature as "Zn4Sb3" have been studied on a polycrystalline sample and Bi-flux-grown single crystals using X-ray diffraction techniques, resistance, and Seebeck coefficient measurements at various temperatures ranging from 4 to 773 K. Microprobe analysis yields the composition of the fluxgrown crystals to be close to Zn13Sb10, with minor Bi doping. High-temperature X-ray and Seebeck coefficient studies show that the phase is unstable at high temperatures in a vacuum because of Zn losses. Both X-ray diffraction and resistivity measurements indicate the presence of two consecutive symmetry-breaking transitions below room temperature, in agreement with our previous results on polycrystalline samples. Application of Landau theory suggests that the first R3c -> C2/c symmetry breaking may be second-order in nature. The second, low-temperature symmetry breaking may proceed along two routes. One of these pathways, a first-order C2/c - C1 symmetry reduction, may lead to an incommensurate structure and is consistent with our experimental observations. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. McMaster Univ, Dept Chem, Hamilton, ON L8S 4L8, Canada. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM gmiller@iastate.edu NR 34 TC 56 Z9 56 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD FEB 7 PY 2006 VL 18 IS 3 BP 822 EP 831 DI 10.1021/cm0515505 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 010HB UT WOS:000235177100036 ER PT J AU Karner, SL AF Karner, SL TI An extension of rate and state theory to poromechanics SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SIMULATED FAULT GOUGE; SLIP INSTABILITY; QUARTZ SAND; COMPACTION; FRICTION; POROELASTICITY; DILATANCY AB Laboratory results on granular media have lead to fundamental theoretical developments ( such as poroelasticity, rate- and state-variable friction) that have found widespread application. This paper presents results from laboratory experiments that help constrain and combine these theories. Data from triaxial deformation experiments on quartz sand aggregates are used to illustrate stress-dependent behavior of poroelastic parameters ( e. g., the Biot-Willis coefficient). The results from both volumetric compaction and frictional shear experiments are well described by poroelasticity as well as rate- and state-variable friction. The combination of these constitutive relations may provide a powerful tool that can be used in numerical models that couple mechanical, hydraulic, and temporal processes in the descriptions of granular deformation. C1 Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Karner, SL (reprint author), Idaho Natl Engn Lab, POB 1625,MS 2107, Idaho Falls, ID 83415 USA. EM stephen.karner@inl.gov NR 25 TC 1 Z9 1 U1 1 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD FEB 7 PY 2006 VL 33 IS 3 AR L03308 DI 10.1029/2005GL024934 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 012TC UT WOS:000235361600007 ER PT J AU Cui, LF Li, X Wang, LS AF Cui, LF Li, X Wang, LS TI Photoelectron spectroscopy of AlnD2- (n=3-15): Observation of chemisorption and physisorption of dideuterium on aluminum cluster anions SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TRANSITION-METAL CLUSTERS; ELECTRONIC-STRUCTURE; ACTIVATION BARRIERS; HYDROGEN; REACTIVITY; DEUTERIUM; H-2; DECOMPOSITION; DIGALLANE(6); DIALANE(6) AB Photoelectron spectroscopy is used to investigate aluminum dideuteride cluster anions, AlnD2- (n=3,6-15), produced by laser vaporization of a pure Al target with a D-2-seeded helium carrier gas. Comparison between the well-resolved photoelectron spectra of AlnD2- and Al-n(-) reveals the nature of interactions between D-2 and Al-n(-). Depending on the size of the Al-n(-) clusters and their electronic structure, three types of AlnD2- species are observed, dideuteride (dissociative chemisorption), molecular chemisorption, and physisorption. Striking spectral similarities are observed between photoelectron spectra of AlnD2- and Al-n(-) for n=9, 11, 13, and 15, suggesting that D-2 is physisorbed on these closed-shell Al-n(-) clusters. For AlnD2- with n=3, 6, 7, and 10, completely different spectra are observed in comparison with the corresponding Al-n(-) clusters, suggesting that the AlnD2- species may be characterized as dideuterides. For AlnD2- with n=8, 12, and 14, in which the Al-n(-) clusters are open shell, the D-2 is characterized as chemisorption on the basis of spectral shifts and similarities relative to those of the corresponding Al-n(-) clusters. (c) 2006 American Institute of Physics. C1 Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Cui, LF (reprint author), Washington State Univ, Dept Phys, Richland, WA 99354 USA. EM ls.wang@pnl.gov NR 45 TC 25 Z9 26 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 7 PY 2006 VL 124 IS 5 AR 054308 DI 10.1063/1.2166633 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010FA UT WOS:000235171100026 PM 16468870 ER PT J AU Kawano, A Tokmakov, IV Thompson, DL Wagner, AF Minkoff, M AF Kawano, A Tokmakov, IV Thompson, DL Wagner, AF Minkoff, M TI Interpolating moving least-squares methods for fitting potential-energy surfaces: Further improvement of efficiency via cutoff strategies SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SYSTEM; STATE; DERIVATIVES AB In standard applications of interpolating moving least squares (IMLS) for fitting a potential-energy surface (PES), all available ab initio points are used. Because remote ab initio points negligibly influence IMLS accuracy and increase IMLS time-to-solution, we present two methods to locally restrict the number of points included in a particular fit. The fixed radius cutoff (FRC) method includes ab initio points within a hypersphere of fixed radius. The density adaptive cutoff (DAC) method includes points within a hypersphere of variable radius depending on the point density. We test these methods by fitting a six-dimensional analytical PES for hydrogen peroxide. Both methods reduce the IMLS time-to-solution by about an order of magnitude relative to that when no cutoff method is used. The DAC method is more robust and efficient than the FRC method. (c) 2006 American Institute of Physics. C1 Univ Missouri, Dept Chem, Columbia, MO 65211 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Kawano, A (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM thompsondon@missouri.edu NR 21 TC 16 Z9 18 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 7 PY 2006 VL 124 IS 5 AR 054105 DI 10.1063/1.2162171 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010FA UT WOS:000235171100005 PM 16468849 ER PT J AU Skoulidas, AI Sholl, DS Johnson, JK AF Skoulidas, AI Sholl, DS Johnson, JK TI Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; ATOMISTIC SIMULATIONS; TRANSPORT DIFFUSIVITIES; ZEOLITE MEMBRANES; GAS-TRANSPORT; LIGHT GASES; CO2; SILICALITE; SEPARATION; MIXTURES AB We have used atomically detailed simulations to examine the adsorption and transport diffusion of CO2 and N-2 in single-walled carbon nanotubes at room temperature as a function of nanotube diameter. Linear and spherical models for CO2 are compared, showing that representing this species as spherical has only a slight impact in the computed diffusion coefficients. Our results support previous predictions that transport diffusivities of molecules inside carbon nanotubes are extremely rapid when compared with other porous materials. By examining carbon nanotubes as large as the (40,40) nanotube, we are able to compare the transport rates predicted by our calculations with recent experimental measurements. The predicted transport rates are in reasonable agreement with experimental observations. (c) 2006 American Institute of Physics. C1 Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. RP Johnson, JK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 NR 55 TC 102 Z9 105 U1 5 U2 60 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 7 PY 2006 VL 124 IS 5 AR 054708 DI 10.1063/1.2151173 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010FA UT WOS:000235171100058 PM 16468902 ER PT J AU Suzuki, T Sorescu, DC Jordan, KD Levy, J Yates, JT AF Suzuki, T Sorescu, DC Jordan, KD Levy, J Yates, JT TI The chemisorption of coronene on Si(001)-2x1 SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; SI(100)-2 X-1; PENTACENE; SURFACE; ADSORPTION; SILICON; MOLECULES; PSEUDOPOTENTIALS AB Coronene (C24H12) adsorption on the clean Si(001)-2x1 surface was investigated by scanning tunneling microscopy and by density-functional calculations. The coronene adsorbed randomly at 25 degrees C on the surface and did not form two-dimensional islands. The scanning tunneling microscopy measurements revealed three adsorption sites for the coronene molecule on the Si(001) surface at low coverage. The major adsorption configuration involves coronene bonding to four underlying Si atoms spaced two lattice spacings apart in a dimer row. The two minor adsorption configurations involve asymmetrical bonding of a coronene molecule between Si dimer rows and form surface species with a mirror plane symmetry to their chiral neighbor species. The two minor bonding arrangements are stabilized by a type-C defect on the Si(001) surface. (c) 2006 American Institute of Physics. C1 Univ Pittsburgh, Dept Chem, Ctr Surface Sci, Pittsburgh, PA 15260 USA. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Univ Pittsburgh, Dept Chem, Ctr Surface Sci, Pittsburgh, PA 15260 USA. EM jyates@pitt.edu RI Levy, Jeremy/A-2081-2009 OI Levy, Jeremy/0000-0002-5700-2977 NR 39 TC 15 Z9 15 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 7 PY 2006 VL 124 IS 5 AR 054701 DI 10.1063/1.2161195 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010FA UT WOS:000235171100051 PM 16468895 ER PT J AU Szpunar, DE Kautzman, KE Faulhaber, AE Neumark, DM AF Szpunar, DE Kautzman, KE Faulhaber, AE Neumark, DM TI Photofragment coincidence imaging of small I-(H2O)(n) clusters excited to the charge-transfer-to-solvent state SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID IODIDE-WATER CLUSTERS; MOLECULAR-DYNAMICS SIMULATIONS; AB-INITIO; RELAXATION PATHWAY; HYDROGEN-BOND; I CLUSTERS; PHOTOELECTRON-SPECTROSCOPY; THRESHOLD PHOTODETACHMENT; ELECTRON PHOTODETACHMENT; FEMTOSECOND DYNAMICS AB The photodissociation dynamics of small I-(H2O)(n)(n=2-5) clusters excited to their charge-transfer-to-solvent (CTTS) states have been studied using photofragment coincidence imaging. Upon excitation to the CTTS state, two photodissociation channels were observed. The major channel (similar to 90%) is a two-body process forming neutral I+(H2O)(n) photofragments, and the minor channel is a three-body process forming I+(H2O)(n-1)+H2O fragments. Both processes display translational energy [P(E-T)] distributions peaking at E-T=0 with little available energy partitioned into translation. Clusters excited to the detachment continuum rather than to the CTTS state display the same two channels with similar P(E-T) distributions. The observation of similar P(E-T) distributions from the two sets of experiments suggests that in the CTTS experiments, I atom loss occurs after autodetachment of the excited [I(H2O)(n)(-)](*) cluster or, less probably, that the presence of the excess electron has little effect on the departing I atom. (c) 2006 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl 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 NR 66 TC 14 Z9 14 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD FEB 7 PY 2006 VL 124 IS 5 AR 054318 DI 10.1063/1.2165202 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010FA UT WOS:000235171100036 PM 16468880 ER PT J AU He, X Norris, JT Fuerschbach, PW DebRoy, T AF He, X Norris, JT Fuerschbach, PW DebRoy, T TI Liquid metal expulsion during laser spot welding of 304 stainless steel SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID ALLOYING ELEMENT VAPORIZATION; HEAT-TRANSFER; FLUID-FLOW; STAINLESS-STEEL; GRAIN-GROWTH; CARBON-STEEL; EJECTION; MODEL AB During laser spot welding of many metals and alloys, the peak temperatures on the weld pool surface are very high and often exceed the boiling points of materials. In such situations, the equilibrium pressure on the weld pool surface is higher than the atmospheric pressure and the escaping vapour exerts a large recoil force on the weld pool surface. As a consequence, the molten metal may be expelled from the weld pool surface. The liquid metal expulsion has been examined both experimentally and theoretically for the laser spot welding of 304 stainless steel. The ejected metal droplets were collected on the inner surface of an open ended quartz tube which was mounted perpendicular to the sample surface and co-axial with the laser beam. The size range of the ejected particles was determined by examining the interior surface of the tube after the experiments. The temperature distribution, free surface profile of the weld pool and the initiation time for liquid metal expulsion were computed based on a three-dimensional transient heat transfer and fluid flow model. By comparing the vapour recoil force with the surface tension force at the periphery of the liquid pool, the model predicted whether liquid metal expulsion would take place under different welding conditions. Expulsion of the weld metal was also correlated with the depression of the liquid metal in the middle of the weld pool due to the recoil force of the vapourized material. Higher laser power density and longer pulse duration significantly increased liquid metal expulsion during spot welding C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Sandia Natl Labs, Joining & Coating Dept, Albuquerque, NM 87185 USA. RP He, X (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RI DebRoy, Tarasankar/A-2106-2010 NR 34 TC 22 Z9 24 U1 3 U2 21 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD FEB 7 PY 2006 VL 39 IS 3 BP 525 EP 534 DI 10.1088/0022-3727/39/3/016 PG 10 WC Physics, Applied SC Physics GA 014GD UT WOS:000235466500017 ER PT J AU Semak, VV Knorovsky, GA MacCallum, DO Roach, RA AF Semak, VV Knorovsky, GA MacCallum, DO Roach, RA TI Effect of surface tension on melt pool dynamics during laser pulse interaction SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID MARANGONI FLOW; MODEL; CONVECTION AB A previously developed model for simulation of recoil-pressure induced melt displacement during laser pulse interaction has been upgraded to include the restraining effect of surface tension. The results of numerical simulations of melt displacement/ejection during laser welding and drilling using this enhanced model are presented. In particular, the dependences of the threshold pulse energies for melt displacement and melt ejection as functions of laser pulse duration, beam radius and beam intensity distribution are computed and analysed. C1 Penn State Univ, Ctr Electroopt, University Pk, PA 16804 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Semak, VV (reprint author), Penn State Univ, Ctr Electroopt, University Pk, PA 16804 USA. NR 21 TC 26 Z9 30 U1 1 U2 11 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD FEB 7 PY 2006 VL 39 IS 3 BP 590 EP 595 DI 10.1088/0022-3727/39/3/025 PG 6 WC Physics, Applied SC Physics GA 014GD UT WOS:000235466500026 ER PT J AU Piech, M Bell, NS AF Piech, M Bell, NS TI Controlled synthesis of photochromic polymer brushes by atom transfer radical polymerization SO MACROMOLECULES LA English DT Article ID SPIROBENZOPYRAN SIDE GROUPS; SOLUTION VISCOSITY CHANGE; POROUS-GLASS FILTER; N-BUTYL ACRYLATE; PHOTORESPONSIVE POLYMERS; METHYL-METHACRYLATE; POLY(METHYL METHACRYLATE); HYBRID NANOPARTICLES; LANGMUIR-BLODGETT; COLLOIDAL SILICA AB This work reports on the grafting of methyl methacrylate polymer brushes containing spirobenzopyran pendant groups from flat silica Surfaces and colloidal particles utilizing atom transfer radical polymerization (ATRP). The reaction conditions were optimized with respect to the kind of surface bound initiator, the type of halide and ligand used in the catalytic complex, the presence/absence of untethered initiator, and solvent type. This enabled synthesis of coatings up to 80 +/- 3 nm thick with controlled spirobenzopyran content. While polymerization kinetics indicate the presence of chain termination reactions, the "living" character of the process is confirmed by controlled formation of block copolymer brushes. UV/vis spectroscopy was used to characterize the UV-induced isomerization of spirobenzopyran to zwitterionic merocyanine and the thermal back-reaction. Spectral and kinetic analyses of this latter bleaching process points to the existence of free and associated merocyanines in the polymeric brush in both tetrahydrofuran and toluene. However, stabilization of merocyanine species by the polymer matrix is considerably greater in toluene with thermal back-reaction rates approaching those determined for solid dry films. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Bell, NS (reprint author), Sandia Natl Labs, POB 5800-1411, Albuquerque, NM 87185 USA. NR 58 TC 47 Z9 47 U1 0 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD FEB 7 PY 2006 VL 39 IS 3 BP 915 EP 922 DI 10.1021/ma0512760 PG 8 WC Polymer Science SC Polymer Science GA 010ND UT WOS:000235200500005 ER PT J AU Ruegg, ML Reynolds, BJ Lin, MY Lohse, DJ Balsara, NP AF Ruegg, ML Reynolds, BJ Lin, MY Lohse, DJ Balsara, NP TI Microphase and macrophase separation in multicomponent A/B/A-C polymer blends with attractive and repulsive interactions SO MACROMOLECULES LA English DT Article ID ANGLE NEUTRON-SCATTERING; TERNARY HOMOPOLYMER/DIBLOCK BLENDS; METHACRYLATE) BLOCK COPOLYMERS; PHASE-BEHAVIOR; DIBLOCK COPOLYMERS; MOLECULAR-WEIGHT; POLY(2,6-DIMETHYL-1,4-PHENYLENE ETHER); BICONTINUOUS MICROEMULSIONS; THERMODYNAMIC PROPERTIES; SPINODAL DECOMPOSITION AB A balanced A-C diblock copolymer surfactant was used to organize mixtures of immiscible A and B homopolymers. The C block of the copolymer exhibits repulsive and attractive interactions with the A and B homopolymers, respectively, leading to rich phase behavior. Experimental results indicate the existence of a microphase-separated state at low temperatures, a homogeneous phase at intermediate temperatures, and macrophase separation at high temperatures. It is unusual for a microphase-separated blend to exhibit a homogeneous phase prior to macrophase separation. In this study, component A was saturated polybutadiene with 89% 1,2-addition, component B was polyisobutylene, block A of the diblock copolymer was chemically equivalent to component A. and block C of the diblock copolymer was saturated polybutadiene with 63% 1,2-addition. We use a combination of Flory-Huggins theory (FHT), self-consistent field theory (SCFT) and the random-phase approximation (RPA) to understand the origin of our observations. All of the parameters needed for the SCFT, FHT, and RPA calculations were obtained from independent measurements. The measured length scale of the periodic concentration fluctuations in the homogeneous state and the domain spacing of the microphase-separated blends were in close agreement with RPA and SCFT, respectively. The transition temperatures between phases predicted with theory were in reasonable agreement with the experimental measurements. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Environm Energy Technol, Berkeley, CA 94720 USA. ExxonMobil Res & Engn, Annandale, NJ 08801 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu NR 65 TC 20 Z9 21 U1 1 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD FEB 7 PY 2006 VL 39 IS 3 BP 1125 EP 1134 DI 10.1021/ma0516889 PG 10 WC Polymer Science SC Polymer Science GA 010ND UT WOS:000235200500030 ER PT J AU Sveum, NE Goncher, SJ Neumark, DM AF Sveum, NE Goncher, SJ Neumark, DM TI Determination of absolute photoionization cross sections of the phenyl radical SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHOTOFRAGMENT TRANSLATIONAL SPECTROSCOPY; 193 NM; ELECTRONIC-STRUCTURE; MOLECULAR-BEAMS; PHOTODISSOCIATION; ENERGY; CATION; CHLOROBENZENE; CHEMISTRY; DYNAMICS AB Photoionization cross sections of the phenyl radical to form the phenyl cation were measured using tunable vacuum ultraviolet synchrotron radiation coupled with photofragment translational spectroscopy. The phenyl radical was produced via 193- or 248-nm dissociation of chlorobenzene. At 10.0 eV, the photoionization cross sections for the phenyl radical averaged over product channels were found to be 13.4 +/- 2.0 and 13.2 +/- 2.0 Mb, respectively, with very little effect seen from the range of internal excitation produced at the two photolysis wavelengths. Using the photoionization cross section values for each channel, photoionization efficiency curves for the phenyl radical were placed on an absolute scale from 7.8 to 10.8 eV. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. 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 NR 34 TC 31 Z9 31 U1 2 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD FEB 7 PY 2006 VL 8 IS 5 BP 592 EP 598 DI 10.1039/b513960k PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 011PP UT WOS:000235280900006 PM 16482301 ER PT J AU Choi, W Kang, BS Jia, QX Matias, V Findikoglu, AT AF Choi, W Kang, BS Jia, QX Matias, V Findikoglu, AT TI Dielectric properties of < 001 >-oriented Ba0.6Sr0.4TiO3 thin films on polycrystalline metal tapes using biaxially oriented MgO/gamma-Al2O3 buffer layers SO APPLIED PHYSICS LETTERS LA English DT Article ID BARIUM STRONTIUM-TITANATE; COATED CONDUCTORS; MGO; TEMPLATES AB We report the growth of < 001 >-oriented Ba0.6Sr0.4TiO3 (BST) thin films on polycrystalline Ni-alloy tapes by pulsed laser deposition using biaxially oriented, ion-beam-assisted deposited (IBAD) MgO and gamma-Al2O3 buffer layers. Dielectric constant values of our BST films were up to similar to 85% of those in the epitaxial films prepared under similar conditions on single-crystal MgO substrates. No significant dispersion of the dielectric constant was observed for frequencies from 100 Hz to 1 MHz. These results demonstrate the versatility of using IBAD-textured MgO and gamma-Al2O3 buffer layers to integrate highly oriented good-quality BST films with nonsingle-crystalline substrates. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Choi, W (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM woong@lanl.gov; findik@lanl.gov RI Jia, Q. X./C-5194-2008 NR 17 TC 16 Z9 16 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 062907 DI 10.1063/1.2173232 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800082 ER PT J AU Ding, Y Chow, P Mao, HK Ren, Y Prewitt, CT AF Ding, Y Chow, P Mao, HK Ren, Y Prewitt, CT TI Determining thermal diffuse scattering of vanadium with x-ray transmission scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID PHONON DISPERSIONS; SILICON; EXAMPLE AB In this work, we have proposed a fitting model to evaluate thermal diffuse scattering in the case of high energy incident x ray with Laue transmission scattering, applicable in future studies on samples at high pressure in a diamond anvil cell. We show that the fitting model including a Voigt function and a lattice contribution can account for the measured data. Phonon dispersion curves extracted in this way are consistent with data collected previously by other methods. (c) 2006 American Institute of Physics. C1 Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Argonne Natl Lab, Expt Facil Div, Argonne, IL 60439 USA. Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. RP Ding, Y (reprint author), Carnegie Inst Washington, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM yding@hpact.aps.anl.gov RI Ding, Yang/K-1995-2014 OI Ding, Yang/0000-0002-8845-4618 NR 21 TC 3 Z9 3 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 061903 DI 10.1063/1.2170142 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800029 ER PT J AU Jesse, S Baddorf, AP Kalinin, SV AF Jesse, S Baddorf, AP Kalinin, SV TI Switching spectroscopy piezoresponse force microscopy of ferroelectric materials SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; POLARIZATION AB The application of ferroelectric materials for electronic devices necessitates the quantitative study of local switching behavior, including imprint, coercive bias, remanent and saturation responses, and work of switching. Here we introduce switching spectroscopy piezoresponse force microscopy as a tool for real-space imaging of switching properties on the nanoscale. The hysteresis curves, acquired at each point in the image, are analyzed in the thermodynamic and kinetic limits. We expect that this approach will further understanding of the relationships between material microstructure and polarization switching phenomena on the nanoscale, and provide a quantitative tool for ferroelectric-based device characterization. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016; Baddorf, Arthur/I-1308-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483; Baddorf, Arthur/0000-0001-7023-2382 NR 14 TC 157 Z9 157 U1 6 U2 53 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 062908 DI 10.1063/1.2172216 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800083 ER PT J AU Ji, HF Lu, YQ Du, HW Xu, XH Thundat, T AF Ji, HF Lu, YQ Du, HW Xu, XH Thundat, T TI Spiral springs and microspiral springs for chemical and biological sensing SO APPLIED PHYSICS LETTERS LA English DT Article ID MICROMECHANICAL CANTILEVER; SURFACE STRESS; ELECTRODE; COLLAPSE; SENSOR AB This work demonstrates that a mechanical device based on spiral spring or microspiral spring has a broad range of applications for detection of chemical and biological species. The surface stress changes or polymer volume changes on one side of the spiral spring extend or contract a spiral spring. The macrosize spiral spring can be used for power-free sensor development. C1 Louisiana Tech Univ, Inst Micromfg, Ruston, LA 71272 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. RP Ji, HF (reprint author), Louisiana Tech Univ, Inst Micromfg, Ruston, LA 71272 USA. EM hji@chem.latech.edu NR 13 TC 1 Z9 1 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 063504 DI 10.1063/1.2172407 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800107 ER PT J AU Jiang, CS Moutinho, HR Romero, MJ Al-Jassim, MM Kazmerski, LL AF Jiang, CS Moutinho, HR Romero, MJ Al-Jassim, MM Kazmerski, LL TI Electrical charge trapping at defects on the Si(111)7x7 surface SO APPLIED PHYSICS LETTERS LA English DT Article ID SCANNING TUNNELING MICROSCOPE; ATOMIC-FORCE MICROSCOPY; GROWTH; NANOSTRUCTURES; TIP AB We report on a direct measurement of electron trapping at defects on the Si(111)7x7 surface, by combining Kelvin probe force microscopy (KPFM) and scanning tunneling microscopy (STM) measurements. One-dimensional defects of atomic steps and two-dimensional defects of disordered domains were found on the surface. STM reveals that the disordered domain is located in the intersection area between three 7x7 domains. KPFM measurement shows that electrons are trapped at both the atomic steps and the disordered domains, and this electron trapping gives rise to a larger local work function on the defect region than on the defect-free 7x7 regions. (c) 2006 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jiang, CS (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM chun_sheng_jiang@nrel.gov RI jiang, chun-sheng/F-7839-2012 NR 21 TC 10 Z9 10 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 061909 DI 10.1063/1.2172229 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800035 ER PT J AU Wang, YM Bringa, EM McNaney, JM Victoria, M Caro, A Hodge, AM Smith, R Torralva, B Remington, BA Schuh, CA Jamarkani, H Meyers, MA AF Wang, YM Bringa, EM McNaney, JM Victoria, M Caro, A Hodge, AM Smith, R Torralva, B Remington, BA Schuh, CA Jamarkani, H Meyers, MA TI Deforming nanocrystalline nickel at ultrahigh strain rates SO APPLIED PHYSICS LETTERS LA English DT Article ID TENSILE PROPERTIES; DEFORMATION; COPPER; STRENGTH; BEHAVIOR; METALS; NI AB The deformation mechanism of nanocrystalline Ni (with grain sizes in the range of 30-100 nm) at ultrahigh strain rates (> 10(7) s(-1)) was investigated. A laser-driven compression process was applied to achieve high pressures (20-70 GPa) on nanosecond timescales and thus induce high-strain-rate deformation in the nanocrystalline Ni. Postmortem transmission electron microscopy examinations revealed that the nanocrystalline structures survive the shock deformation, and that dislocation activity is a prevalent deformation mechanism for the grain sizes studied. No deformation twinning was observed even at stresses more than twice the threshold for twin formation in micron-sized polycrystals. These results agree qualitatively with molecular dynamics simulations and suggest that twinning is a difficult event in nanocrystalline Ni under shock-loading conditions. (c) 2006 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. RP Wang, YM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM ymwang@llnl.gov RI Schuh, Christopher/C-7947-2009; Bringa, Eduardo/F-8918-2011; McNaney, James/F-5258-2013; Meyers, Marc/A-2970-2016; Wang, Yinmin (Morris)/F-2249-2010 OI Meyers, Marc/0000-0003-1698-5396; Wang, Yinmin (Morris)/0000-0002-7161-2034 NR 20 TC 48 Z9 49 U1 4 U2 33 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 061917 DI 10.1063/1.2173257 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800043 ER PT J AU Zeng, XZ Mao, XL Mao, SS Wen, SB Greif, R Russo, RE AF Zeng, XZ Mao, XL Mao, SS Wen, SB Greif, R Russo, RE TI Laser-induced shockwave propagation from ablation in a cavity SO APPLIED PHYSICS LETTERS LA English DT Article ID FUSED-SILICA; DYNAMICS; WAVES; GAS; FEMTOSECOND; DEPOSITION; EXPANSION; PLASMAS; MODEL AB The propagation of laser-induced shockwaves from ablation inside of cavities was determined from time-resolved shadowgraph images. The temperature and electron number density of the laser-induced plasma was determined from spectroscopic measurements. These properties were compared to those for laser ablation on the flat surface under the same energy and background gas condition. A theoretical model was proposed to determine the amount of energy and vaporized mass stored in the vapor plume based on these measurements. (c) 2006 American Institute of Physics. C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Russo, RE (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM rerusso@lbl.gov NR 18 TC 46 Z9 47 U1 1 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 061502 DI 10.1063/1.217238 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800026 ER PT J AU Zhukov, AA Goncharov, AV de Groot, PAJ Ghanem, MA Bartlett, PN Boardman, R Fangohr, H Novosad, V Karapetrov, G AF Zhukov, AA Goncharov, AV de Groot, PAJ Ghanem, MA Bartlett, PN Boardman, R Fangohr, H Novosad, V Karapetrov, G TI Oscillatory thickness dependence of the coercive field in magnetic three-dimensional antidot arrays SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTROCHEMICAL DEPOSITION; FILMS; TEMPLATES; FABRICATION; NETWORKS; PLATINUM; CRYSTALS; GOLD AB Recent developments in magnetic applications, such as data storage, sensors, and transducers, are stimulating intense research into magnetism on submicrometer-length scales. Emerging self-assembly fabrication techniques have been proposed as viable, low-cost methods to prepare such submicron structures. In this letter we present studies on magnetic nanostructures with 3D architectures, fabricated using a self-assembly template method. We find that the patterning transverse to the film plane, which is a unique feature of this method, governs the magnetic behavior. In particular, the coercive field, a key parameter for magnetic materials, was found to demonstrate an oscillatory dependence on film thickness. (c) 2006 American Institute of Physics. C1 Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. Univ Southampton, Sch Chem, Southampton SO17 1BJ, Hants, England. Univ Southampton, Sch Engn Sci, Southampton SO17 1BJ, Hants, England. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zhukov, AA (reprint author), Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. RI Bartlett, Philip/C-4606-2008; Fangohr, Hans/C-6367-2008; Ghanem, Mohamed /C-3757-2009; Novosad, Valentyn/C-2018-2014; Zhukov, Alexander/E-1331-2014; Karapetrov, Goran/C-2840-2008; Novosad, V /J-4843-2015 OI Bartlett, Philip/0000-0002-7300-6900; Fangohr, Hans/0000-0001-5494-7193; Ghanem, Mohamed /0000-0003-2866-9016; Karapetrov, Goran/0000-0003-1113-0137; NR 31 TC 15 Z9 15 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD FEB 6 PY 2006 VL 88 IS 6 AR 062511 DI 10.1063/1.2171792 PG 3 WC Physics, Applied SC Physics GA 011FF UT WOS:000235252800069 ER PT J AU Valeev, EF AF Valeev, EF TI Computation of precise two-electron correlation energies with imprecise Hartree-Fock orbitals SO CHEMICAL PHYSICS LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE THEORY; BASIS-SETS; WAVE-FUNCTIONS; PERTURBATION-THEORY; INTEGRALS; CONVERGENCE; ACCURACY; TERMS AB Recently developed linear R12-type explicitly correlated methodology promises few-percent basis set errors with small, double-xi quality, Hartree-Fock basis sets. We present an MP2-R12 method which achieves the two-electron basis limit as closely as desired using any finite Hartree-Fock basis set. We found that the two-electron correlation energy can be computed precisely from a very approximate Hartree-Fock function. The error in the two-electron correlation energy due to the finite Hartree-Fock basis set was averaged over a set of 20 small molecules. The mean error was found to be small, at most 1% for a double-xi basis set, and quickly decaying. (c) 2005 Elsevier B.V. All rights reserved. C1 Georgia Inst Technol, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Valeev, EF (reprint author), Georgia Inst Technol, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA. EM edward.valeev@chemistry.gatech.edu RI Valeyev, Eduard/A-5313-2009 OI Valeyev, Eduard/0000-0001-9923-6256 NR 27 TC 13 Z9 13 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 6 PY 2006 VL 418 IS 4-6 BP 333 EP 336 DI 10.1016/j.cplett.2005.10.099 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 009ID UT WOS:000235104200008 ER PT J AU Khaliullin, RZ Head-Gordon, M Bell, AT AF Khaliullin, RZ Head-Gordon, M Bell, AT TI Efficient evaluation of the error vector in the direct inversion in the iterative subspace scheme SO CHEMICAL PHYSICS LETTERS LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; CONVERGENCE ACCELERATION AB Faster computation of the Pulay error vector for the direct inversion in the iterative subspace acceleration scheme is achieved by expanding the density matrix in terms of the occupied molecular orbitals and by performing matrix multiplications in an optimal order. The predicted speed-up over the usual implementation is N/O, where N is the size of the atomic orbital basis set, and 0 is number of occupied molecular orbitals, which is confirmed by test calculations. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Head Gordon Grp, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Khaliullin, RZ (reprint author), Univ Calif Berkeley, Dept Chem, Head Gordon Grp, Berkeley, CA 94720 USA. EM rustam@khaliullin.com RI Khaliullin, Rustam/B-2672-2009; OI Khaliullin, Rustam/0000-0002-9073-6753; Bell, Alexis/0000-0002-5738-4645 NR 13 TC 0 Z9 0 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 6 PY 2006 VL 418 IS 4-6 BP 359 EP 360 DI 10.1016/j.cplett.2005.10.138 PG 2 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 009ID UT WOS:000235104200014 ER PT J AU Brand, HV AF Brand, HV TI Periodic Hartree-Fock study of the elasticity of pentaerythritol tetranitrate SO CHEMICAL PHYSICS LETTERS LA English DT Article ID FULL-POTENTIAL CALCULATION; AB-INITIO; ALL-ELECTRON; SHOCK INITIATION; CONSTANTS; CRYSTAL; COMPRESSION; EQUATION; SYSTEMS; CLUSTER AB We present a study of the pentaerythritol. tetranitrate energetic material by means of the ab initio all-electron periodic Hartree-Fock quantum mechanical method with the STO-3G basis set. Our calculations yield the equilibrium lattice vectors a(0) and c(0), the symmetry-preserving elastic constants (C-11 + C-12), C-33, and C-13, the bulk modulus B, and the linear moduli B. and B,. With regards to experiment, the average deviation of the calculated lattice vectors is 1% and that of the calculated elastic constants and moduli is 7.4%. In particular, the calculated bulk modulus 9.38 GPa agrees with experiment within 4.8%. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Brand, HV (reprint author), Los Alamos Natl Lab, Div Appl Phys, MS T085,POB T085, Los Alamos, NM 87545 USA. EM brand@lanl.gov NR 29 TC 5 Z9 5 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD FEB 6 PY 2006 VL 418 IS 4-6 BP 428 EP 432 DI 10.1016/j.cplett.2005.11.026 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 009ID UT WOS:000235104200028 ER PT J AU Nyman, M Celestian, AJ Parise, JB Holland, GP Alam, TM AF Nyman, M Celestian, AJ Parise, JB Holland, GP Alam, TM TI Solid-state structural characterization of a rigid framework of lacunary heteropolyniobates SO INORGANIC CHEMISTRY LA English DT Article ID ANGLE-SPINNING NMR; KEGGIN STRUCTURE CLUSTERS; FAST AMPLITUDE-MODULATION; CRYSTAL-STRUCTURE; HYDROTHERMAL SYNTHESIS; QUADRUPOLAR NUCLEI; 3-DIMENSIONAL FRAMEWORK; COORDINATION CHEMISTRY; COMPLEX FRAGMENTS; SPECTRA AB In our ongoing investigations of heteropolyniobate chemistry, a phase featuring decorated, A-type trivacant alpha-Keggin ions linked by their charge-balancing sodium cations has been isolated and structurally characterized. This is the first heteropolyniobate reported that has a true lacunary structure type. Na-15[(PO2)(3)PNb9O34]center dot 22H(2)O (1) [triclinic space group P (1) over bar (No. 2); a = 12.242 (2) angstrom, b = 12.291 (3) angstrom, c = 22.056 (4) angstrom; alpha = 93.12 (3)degrees, beta = 99.78 (3)degrees, gamma = 119.84 (3)degrees; Z = 4, V = 2799.2 (10) angstrom(3)] is composed of bilayers of the heteropolyanions alternating with layers of hydrated Na+ cations. Sodium cations also bridge the clusters within their layers through Na-O-t-Nb, Na-O-b-Nb-2, and Na-O-t-P bonds (t = terminal and b = bridging). This phase is poorly soluble in water, suggesting that it is more characteristic of a framework of linked heteropolyanions rather than a water-soluble heteropolyanion salt. Two-dimensional solid-state Na-23 multiple-quantum magic angle spinning (MAS) NMR of 1 reveals five distinctive chemical and structural environments for sodium, which agrees with the crystallographic data. The Na-23 and H-1 MAS NMR studies further illustrate the rigid and immobile nature of this framework of cations and anions. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. SUNY Stony Brook, Dept Geosci, Ctr Environm & Mol Sci, Stony Brook, NY 11794 USA. RP Nyman, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mdnyman@sandia.gov NR 58 TC 59 Z9 59 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD FEB 6 PY 2006 VL 45 IS 3 BP 1043 EP 1052 DI 10.1021/ic051155g PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 010MI UT WOS:000235198400018 PM 16441112 ER PT J AU Arnold, R Augier, C Baker, J Barabash, AS Brudanin, V Caffrey, AJ Caurier, E Egorov, V Errahmane, K Etienvre, AI Guyonnet, JL Hubert, F Hubert, P Jollet, C Jullian, S King, S Kochetov, O Konovalov, S Kovalenko, V Lalanne, D Leccia, F Longuemare, C Lutter, G Marquet, C Mauger, F Nowacki, F Ohsumi, H Piquemal, F Reyss, JL Saakyan, R Sarazin, X Shitov, Y Simard, L Simkovic, F Smolnikov, A Stekl, I Suhonen, J Sutton, CS Szklarz, G Timkin, V Thomas, J Tretyak, V Umatov, V Vala, L Vanyushin, I Vasilyev, V Vorobel, V Vylov, T AF Arnold, R Augier, C Baker, J Barabash, AS Brudanin, V Caffrey, AJ Caurier, E Egorov, V Errahmane, K Etienvre, AI Guyonnet, JL Hubert, F Hubert, P Jollet, C Jullian, S King, S Kochetov, O Konovalov, S Kovalenko, V Lalanne, D Leccia, F Longuemare, C Lutter, G Marquet, C Mauger, F Nowacki, F Ohsumi, H Piquemal, F Reyss, JL Saakyan, R Sarazin, X Shitov, Y Simard, L Simkovic, F Smolnikov, A Stekl, I Suhonen, J Sutton, CS Szklarz, G Timkin, V Thomas, J Tretyak, V Umatov, V Vala, L Vanyushin, I Vasilyev, V Vorobel, V Vylov, T CA NEMO Collaboration TI Limits on different majoron decay modes of (100)Mo and (82)Se for neutrinoless double beta decays in the NEMO-3 experiment SO NUCLEAR PHYSICS A LA English DT Article DE majoron; double-beta decay ID STATE DOMINANCE HYPOTHESIS; MATRIX-ELEMENTS; EMISSION; DETECTOR; SEARCH; OBSERVABILITY; PARTICLE; BOSONS; MASSES; BOUNDS AB The NEMO-3 tracking detector is located in the Frejus Underground Laboratory. It was designed to study double beta decay in a number of different isotopes. Presented here are the experimental half-life limits oil the double beta decay process for the isotopes (100)Mo and (82)Se for different majoron emission modes and limits on the effective neutrino-majoron coupling constants. In particular, new limits on "ordinary" majoron (spectral index 1) decay of (100)Mo (T(1/2) > 2.7 x 10(22) yr) and (82)Se (T(1/2) > 1.5 x 10(22) yr) have been obtained. Corresponding bounds on the majoron-neutrino coupling constant are (gee) < (0.4-1.8) x 10(-4) and < (0.66-1.9) x 10(-4). (c) 2005 Elsevier B.V. All rights reserved. C1 CENBG, CNRS, IN2P3, F-33170 Gradignan, France. Univ Bordeaux, F-33170 Gradignan, France. CNRS, LPC, IN2P3, F-14032 Caen, France. Univ Caen, F-14032 Caen, France. Joint Inst Nucl Res Dubna, Dubna 141980, Russia. CFR, CNRS, F-91190 Gif Sur Yvette, France. INL, Idaho Falls, ID 83415 USA. Univ Jyvaskyla, SF-40351 Jyvaskyla, Finland. ITEP, Moscow 117259, Russia. CNRS, LAL, IN2P3, F-91405 Orsay, France. Univ Paris 11, F-91405 Orsay, France. Mt Holyoke Coll, S Hadley, MA 01075 USA. CNRS, IN2P3, IReS, F-67037 Strasbourg, France. Univ Strasbourg 1, F-67037 Strasbourg, France. Czech Tech Univ, IEAP, CZ-12800 Prague, Czech Republic. Charles Univ Prague, Prague, Czech Republic. Saga Univ, Saga 8408502, Japan. UCL, London, England. Comenius Univ, FMFI, SK-84248 Bratislava, Slovakia. RP Barabash, AS (reprint author), Inst Theoret & Expt Phys, B Cheremushkinskaya 25, Moscow 117259, Russia. EM alexander.barabash@itep.ru RI Caffrey, Augustine/C-2005-2009; Vala, Ladislav/L-4938-2016; Barabash, Alexander/S-8851-2016 NR 56 TC 64 Z9 64 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD FEB 6 PY 2006 VL 765 IS 3-4 BP 483 EP 494 DI 10.1016/j.nuclphysa.2005.11.015 PG 12 WC Physics, Nuclear SC Physics GA 006AT UT WOS:000234868200013 ER PT J AU Jager, HI Carr, EA Efroymson, RA AF Jager, HI Carr, EA Efroymson, RA TI Simulated effects of habitat loss and fragmentation on a solitary mustelid predator SO ECOLOGICAL MODELLING LA English DT Article DE population viability analysis; landscape model; petroleum extraction; brine spill; tallgrass prairie; Allee effect; extinction threshold ID POPULATION VIABILITY ANALYSIS; TALLGRASS PRAIRIE; EXTINCTION; BADGERS; ECOLOGY; FOREST; BRINE; BIRDS; MODEL AB Brine spills associated with petroleum extraction can reduce the amount of suitable habitat and increase habitat fragmentation for many terrestrial animals. We conducted a simulation study to quantify the effects of habitat loss and fragmentation on a solitary mammal predator. To provide focus, we adopted biological attributes of the American badger (Taxidea taxus) and environmental attributes of the Tallgrass Prairie Preserve in Oklahoma. We simulated badger activities on landscapes with different degrees of habitat loss and fragmentation using a spatially explicit and individual-based population model. Both habitat loss and fragmentation increased the incidence of habitat-related mortality and decreased the proportion of eligible females that mated, which decreased final population sizes and the likelihood of persistence. Parameter exploration suggested that steep, threshold-like, responses to habitat loss occurred when animals included high-risk habitat in their territories. Badger populations showed a steeper decline with increasing habitat loss on landscapes fragmented by spills than on less fragmented landscapes. Habitat fragmentation made it difficult for badgers to form high-quality territories, and exposed individuals to higher risk while A seeking to establish a territory. Our simulations also suggest that an inability to find mates (an Allee effect) becomes increasingly important for landscapes that support a sparse distribution of territories. Thus, the presence of unmated females with territories may foreshadow population decline in solitary species that do not normally tolerate marginal adults. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Environm Sci Div, Oak Ridge, TN 37831 USA. RP Jager, HI (reprint author), Oak Ridge Natl Lab, Environm Sci Div, Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM jagerhi@ornl.gov OI Jager, Henriette/0000-0003-4253-533X; Efroymson, Rebecca/0000-0002-3190-880X NR 35 TC 14 Z9 14 U1 1 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3800 J9 ECOL MODEL JI Ecol. Model. PD FEB 5 PY 2006 VL 191 IS 3-4 BP 416 EP 430 DI 10.1016/j.ecolmodel.2005.05.025 PG 15 WC Ecology SC Environmental Sciences & Ecology GA 007EP UT WOS:000234951600006 ER PT J AU Haynes, BF Ma, BJ Montefiori, DC Wrin, T Petropoulos, CJ Sutherland, LL Scearce, RM Denton, C Xia, SM Korber, BT Liao, HX AF Haynes, BF Ma, BJ Montefiori, DC Wrin, T Petropoulos, CJ Sutherland, LL Scearce, RM Denton, C Xia, SM Korber, BT Liao, HX TI Analysis of HIV-1 subtype B third variable region peptide motifs for induction of neutralizing antibodies against HIV-1 primary isolates SO VIROLOGY LA English DT Article DE HIV-1 vaccine; HIV-1 envelope; V3 loop; neutralization; antibody; peptide; immunogen; guinea pig ID HUMAN-IMMUNODEFICIENCY-VIRUS; AMINO-ACID SUBSTITUTION; TYPE-1 GP120; V3 LOOP; ENVELOPE GLYCOPROTEINS; MONOCLONAL-ANTIBODIES; RHESUS-MONKEYS; SEQUENCE; IMMUNOGENICITY; EPITOPES AB The HIV-1 gp120 V3 loop is a potent inducer of neutralizing antibodies for T cell line adapted-HIV-1, but less so for primary isolates. We hypothesized that peptides representative of the diversity of natural HIV-1 V3 loop variants might capture elements of conserved higher order structures and so stimulate broadly reactive neutralizing antibodies. We designed a panel of 29 subtype B V3 sequences postulated to reflect the range of V3 diversity. These peptides were used to immunize guinea pigs. The most effective peptide (62.19) clustered around the subtype B consensus sequence and induced antibodies that reproducibly neutralized 31% of the subtype B HIV-1 primary isolates evaluated, but exhibited limited cross-neutralization of non-subtype B HIV-1 strains. Taken together, these data demonstrated that the limited neutralization profile of antibodies induced by optimal subtype B V3 motifs likely represents the maximum breadth of neutralization of subtype B HIV-1 primary isolates attainable by anti-V3 peptide antibodies. (C) 2005 Elsevier Inc. All rights reserved. C1 Duke Univ, Med Ctr, Dept Med, Sch Med, Durham, NC 27710 USA. Duke Univ, Sch Med, Human Vaccine Inst, Durham, NC 27710 USA. Duke Univ, Dept Surg, Sch Med, Durham, NC 27710 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Santa Fe Inst, Santa Fe, NM 87501 USA. Virolog Inc, San Francisco, CA 94080 USA. RP Haynes, BF (reprint author), Duke Univ, Med Ctr, Dept Med, Sch Med, 215 CARL Bldg,Res Dr,POB 3258, Durham, NC 27710 USA. EM hayne002@mc.duke.edu OI Korber, Bette/0000-0002-2026-5757 FU NIAID NIH HHS [N01-AI05397, AI048990, AI51455] NR 42 TC 26 Z9 26 U1 0 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0042-6822 J9 VIROLOGY JI Virology PD FEB 5 PY 2006 VL 345 IS 1 BP 44 EP 55 DI 10.1016/j.virol.2005.08.042 PG 12 WC Virology SC Virology GA 009MV UT WOS:000235117000005 PM 16242749 ER PT J AU Tkalcic, H Flanagan, MP Cormier, VF AF Tkalcic, H Flanagan, MP Cormier, VF TI Observation of near-podal P'P' precursors: Evidence for back scattering from the 150-220 km zone in the Earth's upper mantle SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SEISMIC-WAVE SCATTERING; LEHMANN DISCONTINUITY; BENEATH; P'P'; REFLECTIONS; BOUNDARY AB P'P' (PKPPKP) are P waves that travel from a hypocenter through the Earth's core, reflect from the free surface and travel back through the core to a recording station on the surface. Here we report the observations of hitherto unobserved near-podal P'P' waves ( at epicentral distance < 10 degrees) and very prominent precursors preceding the main energy by as much as 60 s. We interpret these precursors as a back-scattered energy from horizontally connected small-scale heterogeneity in the upper mantle beneath the oceans in a zone between 150 and 220 km depth beneath the Earth's surface. From these observations, we identify a frequency dependence of attenuation quality factor Q in the lithosphere through forward modeling of the observed amplitude spectra of the main and back-scattered P'P' waves. C1 Lawrence Livermore Natl Lab, Atmospher Earth & Energy Sci Dept, Livermore, CA 94550 USA. Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. Multimax Inc, Largo, MD 20774 USA. RP Tkalcic, H (reprint author), Multimax Inc, Emeryville, CA USA. EM tkalcic@multimax.com; flanagan5@llnl.gov; vernon.cormier@uconn.edu RI Tkalcic, Hrvoje/E-8465-2013 OI Tkalcic, Hrvoje/0000-0001-7072-490X NR 23 TC 12 Z9 12 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD FEB 4 PY 2006 VL 33 IS 3 AR L03305 DI 10.1029/2005GL024626 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 010AZ UT WOS:000235156900001 ER PT J AU Sounart, TL Liu, J Voigt, JA Hsu, JWP Spoerke, ED Tian, Z Jiang, YB AF Sounart, TL Liu, J Voigt, JA Hsu, JWP Spoerke, ED Tian, Z Jiang, YB TI Sequential nucleation and growth of complex nanostructured films SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID AQUEOUS-SOLUTION DEPOSITION; SELF-ASSEMBLED MONOLAYERS; ALIGNED CARBON NANOTUBES; LARGE-SCALE FABRICATION; ZINC-OXIDE NANORODS; ROOM-TEMPERATURE; ZNO NANORODS; THIN-FILMS; EPITAXIAL ELECTRODEPOSITION; HYDROTHERMAL CONDITIONS AB Nanostructured films with controlled architectures are desirable for many applications in optics, electronics, biology, medicine, and energy/chemical conversions. Low-temperature, aqueous chemical routes have been widely investigated for the synthesis of continuous films, and arrays of oriented nanorods and nanotubes. More recently, aqueous-phase routes have been used to produce films composed of more complex crystal structures. In. this paper; we discuss recent progress in the synthesis of complex nanostructures through sequential nucleation and growth processes. We first review the use of multistage, seeded-growth methods to synthesize a wide range of nanostructures, including oriented nanowires, nanotubes, and nanoneedles, as well as laminated films, columns, and multilayer heterostructures. We then describe more recent work on the application of sequential nucleation and growth to the systematic assembly of large arrays of hierarchical, complex, oriented, and IF ordered crystal architectures. The multistage aqueous chemical route is shown to be applicable to several technologically important materials, and therefore may play a key role in advancing complex nanomaterials into applications. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Arkansas, Fayetteville, AR 72701 USA. Univ New Mexico, Albuquerque, NM 87131 USA. RP Liu, J (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jun.liu@pnl.gov; javoigt@sandia.gov RI Tian, Z. Ryan /R-6671-2016 OI Tian, Z. Ryan /0000-0002-5644-8483 NR 77 TC 194 Z9 195 U1 12 U2 124 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD FEB 3 PY 2006 VL 16 IS 3 BP 335 EP 344 DI 10.1002/adfm.200500468 PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 014CJ UT WOS:000235456000002 ER PT J AU Maskaly, GR Petruska, MA Nanda, J Bezel, IV Schaller, RD Htoon, H Pietryga, JM Klimov, VI AF Maskaly, GR Petruska, MA Nanda, J Bezel, IV Schaller, RD Htoon, H Pietryga, JM Klimov, VI TI Amplified spontaneous emission in semiconductor-nanocrystal/synthetic-opal composites: Optical-gain enhancement via a photonic crystal pseudogap SO ADVANCED MATERIALS LA English DT Article ID QUANTUM DOTS; BAND; LASER; EDGE AB Novel materials consisting of titania sol-gel/CdSe- or PbSe-nanocrystal (NC) nanocomposites infiltrated into polystyrene opal photonic crystals (PCs) are presented (see Figure). These composites exhibit efficient amplified spontaneous emission at decreased thresholds relative to the reference sol-gel/NC materials, despite the lower volume loading of NCs in the photonic structures. This work points toward tunable NC/PC lasers that can benefit from the easy manipulation of NC emission properties and PC band positions. C1 Los Alamos Natl Lab, Div Chem, CPCS, Los Alamos, NM 87545 USA. RP Klimov, VI (reprint author), Los Alamos Natl Lab, Div Chem, CPCS, MS-J567,POB 1663, Los Alamos, NM 87545 USA. EM klimov@lanl.gov OI Klimov, Victor/0000-0003-1158-3179; Htoon, Han/0000-0003-3696-2896 NR 19 TC 52 Z9 53 U1 0 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD FEB 3 PY 2006 VL 18 IS 3 BP 343 EP + DI 10.1002/adma.200500875 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 012QI UT WOS:000235353700017 ER PT J AU Senesac, LR Dutta, P Datskos, PG Sepaniak, MJ AF Senesac, LR Dutta, P Datskos, PG Sepaniak, MJ TI Analyte species and concentration identification using differentially functionalized microcantilever arrays and artificial neural networks SO ANALYTICA CHIMICA ACTA LA English DT Article DE microcantilever array; pattern recognition; artificial neural networks; polymeric and gas chromatography phases ID PATTERN-RECOGNITION ANALYSIS; VOLATILE ORGANIC-COMPOUNDS; MICROMECHANICAL CANTILEVER ARRAY; SAW MULTISENSOR ARRAY; ACOUSTIC-WAVE SENSOR; ELECTRONIC NOSE; VAPOR MIXTURES; BINARY-MIXTURE; FILMS; TEMPERATURE AB In the present work, we have performed analyte species and concentration identification using an array of ten differentially functionalized microcantilevers coupled with a back-propagation artificial neural network pattern recognition algorithm. The array consists of ten nanostructured silicon microcantilevers functionalized by polymeric and gas chromatography phases and macrocyclic receptors as spatially dense, differentially responding sensing layers for identification and quantitation of individual analyte(s) and their binary mixtures. The array response (i.e. cantilever bending) to analyte vapor was measured by an optical readout scheme and the responses were recorded for a selection of individual analytes as well as several binary mixtures. An artificial neural network (ANN) was designed and trained to recognize not only the individual analytes and binary mixtures, but also to determine the concentration of individual components in a mixture. To the best of our knowledge, ANNs have not been applied to microcantilever array responses previously to determine concentrations of individual analytes. The trained ANN correctly identified the eleven test analyte(s) as individual components, most with probabilities greater than 97%, whereas it did not misidentify an unknown (untrained) analyte. Demonstrated unique aspects of this work include an ability to measure binary mixtures and provide both qualitative (identification) and quantitative (concentration) information with array-ANN-based sensor methodologies. (c) 2005 Elsevier .V. All rights reserved. C1 Univ Tennessee, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sepaniak, MJ (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM msepaniak@utk.edu NR 60 TC 38 Z9 38 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD FEB 3 PY 2006 VL 558 IS 1-2 BP 94 EP 101 DI 10.1016/j.aca.2005.11.024 PG 8 WC Chemistry, Analytical SC Chemistry GA 009MR UT WOS:000235116600016 ER PT J AU Dias, NC Porter, MD Fritz, JS AF Dias, NC Porter, MD Fritz, JS TI Principles and applications of colorimetric solid-phase extraction with negligible depletion SO ANALYTICA CHIMICA ACTA LA English DT Article DE C-SPE; negligible depletion; spectrophotometry; solid-phase extraction; water analysis; iodine ID REFLECTANCE SPECTROSCOPY; MICROEXTRACTION; IODINE; WATER; NICKEL(II); SILVER(I) AB Colorimetric solid-phase extraction (C-SPE) is an integrated technique in which an analyte is selectively concentrated onto a disk and then quantitated by diffuse reflectance spectroscopy. This paper describes the results of an investigation that applies the concept of negligible depletion (ND) to C-SPE, representing the first application of ND concepts to solid-phase extractions. The approach relies on passing the minimal volume of sample through the disk required to reach an equilibrium in which the concentration of analyte in the sample entering and exiting the disk are equal. At this point, the amount of analyte extracted by the disk is proportional to the sample concentration but is independent of the sample volume passed through the disk. With this new method, called C-SPEND, the precise measurement of sample volume is no longer necessary. The work herein details the general principles of this new methodology, and validates its basic tenets in an investigation of the extraction of the organic dye methyl violet. The analytical capabilities of C-SPEND are then demonstrated by its application to measurements of iodine. Iodine is a biocide increasingly used as a simple and effective disinfectant for water in locations where municipal water treatment systems are potentially compromised. Thus, the ability to operate C-SPE in an ND mode notably enhances the broad-based utility of this methodology as a reliable and an easy-to-use analysis tool for water quality assessments. Since iodine is also the biocide used on NASAs Space Shuttle, C-SPEND has the potential to overcome problems associated with the removal of air bubbles entrapped in a water sample in the microgravity environment encountered in space exploration. Extensions of C-SPEND to facile determinations of other water quality parameters with respect to both earth- and space-based needs are briefly discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Iowa State Univ Sci & Technol, Dept Chem, Inst Combinatorial Discovery, Ames Lab,US Dept Energy, Ames, IA 50011 USA. RP Porter, MD (reprint author), Iowa State Univ Sci & Technol, Dept Chem, Inst Combinatorial Discovery, Ames Lab,US Dept Energy, Ames, IA 50011 USA. EM mporter@porter1.ameslab.gov NR 19 TC 20 Z9 20 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0003-2670 J9 ANAL CHIM ACTA JI Anal. Chim. Acta PD FEB 3 PY 2006 VL 558 IS 1-2 BP 230 EP 236 DI 10.1016/j.aca.2005.11.014 PG 7 WC Chemistry, Analytical SC Chemistry GA 009MR UT WOS:000235116600034 ER PT J AU McGraw, R Liu, YG AF McGraw, R Liu, YG TI Brownian drift-diffusion model for evolution of droplet size distributions in turbulent clouds SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SPECTRAL DISPERSION; STOCHASTIC CONDENSATION; PART I; PARAMETERIZATION; GROWTH; SENSITIVITY; RADIUS AB Effects from turbulence-induced fluctuations in water vapor saturation on cloud droplet growth are examined using a Brownian diffusion model. The model predicts diffusive broadening of the droplet size distribution, tempered by enhanced evaporation-induced drift of droplets to smaller size from vapor depletion, and approach to a stationary condition (Weibull distribution) determined by the balance between size-space diffusion and drift. Monte Carlo simulations of the approach to the stationary limit and of the distribution itself are presented and compared favorably with observation. A key turbulence parameter required by the kinetic potential theory of drizzle formation is estimated using the new results. Citation: McGraw, R., and Y. Liu (2006), Brownian drift-diffusion model for evolution of droplet size distributions in turbulent clouds, C1 Brookhaven Natl Lab, Atmospher Sci Div, Environm Sci Dept, Upton, NY 11973 USA. RP McGraw, R (reprint author), Brookhaven Natl Lab, Atmospher Sci Div, Environm Sci Dept, Upton, NY 11973 USA. EM rlm@bnl.gov RI Liu, Yangang/H-6154-2011 NR 26 TC 12 Z9 12 U1 2 U2 7 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD FEB 3 PY 2006 VL 33 IS 3 AR L03802 DI 10.1029/2005GL023545 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 010AY UT WOS:000235156800001 ER PT J AU Yao, SP Xue, CY Hu, WX Cao, H Zhang, CL AF Yao, SP Xue, CY Hu, WX Cao, H Zhang, CL TI A comparative study of experimental maturation of peat, brown coal and subbituminous coal: Implications for coalification SO INTERNATIONAL JOURNAL OF COAL GEOLOGY LA English DT Article DE experimental coalification; pyrolysis; peat; brown coal; subbituminous coal; methane; carbondioxide ID ARTIFICIAL COALIFICATION; SAPROPELIC SEDIMENTS; CONFINED PYROLYSIS; HUMIC COAL; GEOCHEMISTRY; GENERATION; INDONESIA; FLORIDA; ORIGIN; ACIDS AB Laboratory experiments were performed on a peat, a brown coal, and a subbiturninous coal using closed-system pyrolysis. The samples were heated isothermally for 48 h from 150 to 500 degrees C. All three samples had similar pathways of thermal evolution, which can be divided into four phases based on vitrinite reflectance (Rm). Phase 1 (< 250 degrees C or < 0.6% Rm) was characterized by a rapid increase in CO2, phase 2 (200-350 degrees C or, 0.6% < Rm < 1.1%) by simultaneous generation of oil and gas, and phase 3 (350-400 degrees C, 1.1% < Rm < 1.3%) and phase 4 (> 400 degrees C, Rm > 1.3%) by production of methane. Phase 3 and phase 4 also caused the condensation of aromatic rings, which resulted in a rapid increase in Rm in the solid residue and decrease in the potential of hydrocarbon generation. The yield of gas, however, varied from sample to sample. The amount and composition of bitumen generated also differed significantly among these samples. The results indicated that coalification under these experimental conditions appeared to have similar evolutionary pathways regardless of the original stage; the quantity and the composition of products, however may vary during the coalification process. In this study, the difference mainly occurred during the process from peat to high volatile bituminous coal, which generated a large amount Of CO2 and bitumen that contained over 95% polar compounds. This study also demonstrated that early-stage coalification occurred mainly as a loss of oxygen in organic matter. Results of this comparative study enhanced our understanding of the mechanisms of coalification. (c) 2005 Elsevier B.V. All rights reserved. C1 Nanjing Univ, Dept Earth Sci, Nanjing 210093, Peoples R China. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Dept Marine Sci, Aiken, SC 29802 USA. RP Yao, SP (reprint author), Nanjing Univ, Dept Earth Sci, Nanjing 210093, Peoples R China. EM spyao@nju.edu.cn NR 44 TC 11 Z9 13 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-5162 J9 INT J COAL GEOL JI Int. J. Coal Geol. PD FEB 3 PY 2006 VL 66 IS 1-2 BP 108 EP 118 DI 10.1016/j.coal.2005.07.007 PG 11 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA 011MC UT WOS:000235271400006 ER PT J AU Abulencia, A Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arguin, JF Arisawa, T Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Boveia, A Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carron, S Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chu, PH Chuang, SH Chung, K Chung, WH Chung, YS Ciljak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Connolly, A Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cruz, A Cuevas, J Culbertson, R Cyr, D DaRonco, S D'Auria, S D'onofrio, M Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Dong, P Donini, J Dorigo, T Dube, S Ebina, K Efron, J Ehlers, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, R Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia, JE Garcia Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerchtein, E Gerdes, D Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grinstein, S Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, SR Hahn, K Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harper, S Harr, RF Harris, RM Hatakeyama, K Hauser, J Hays, C Hayward, H Heijboer, A Heinemann, B Heinrich, J Hennecke, M Herndon, M Heuser, J Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kang, J Karagoz-Unel, M Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kondo, K Kong, DJ Konigsberg, J Kordas, K Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreps, M Kreymer, A Kroll, J Krumnack, N Kruse, M Krutelyov, V Kuhlmann, SE Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McGivern, D McIntyre, P McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A von der Mey, M Miao, T Miladinovic, N Miles, J Miller, R Miller, JS Mills, C Milnik, M Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Naumov, D Necula, V Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Papikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, K Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Rakitin, A Rappoccio, S Ratnikov, F Reisert, B Rekovic, V van Remortel, N Renton, P Rescigno, M Richter, S Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Rott, C Ruiz, A Russ, J Rusu, V Ryan, D Saarikko, H Sabik, S Safonov, A Sakumoto, WK Salamanna, G Salto, O Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Squillacioti, P Stanitzki, M Staveris-Polykalas, A St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tecchio, M Teng, PK Terashi, K Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Vallecorsa, S Varganov, A Vataga, E Velev, G Veramendi, G Veszpremi, V Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Worm, S Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, Y Yang, C Yang, UK Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhang, X Zhou, J Zucchelli, S AF Abulencia, A Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arguin, JF Arisawa, T Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Boveia, A Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carron, S Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chu, PH Chuang, SH Chung, K Chung, WH Chung, YS Ciljak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Connolly, A Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cruz, A Cuevas, J Culbertson, R Cyr, D DaRonco, S D'Auria, S D'onofrio, M Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, JR DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Dong, P Donini, J Dorigo, T Dube, S Ebina, K Efron, J Ehlers, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, R Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia, JE Garcia Sciveres, M Garfinkel, AF Gay, C Gerberich, H Gerchtein, E Gerdes, D Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grinstein, S Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, SR Hahn, K Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harper, S Harr, RF Harris, RM Hatakeyama, K Hauser, J Hays, C Hayward, H Heijboer, A Heinemann, B Heinrich, J Hennecke, M Herndon, M Heuser, J Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kang, J Karagoz-Unel, M Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kondo, K Kong, DJ Konigsberg, J Kordas, K Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreps, M Kreymer, A Kroll, J Krumnack, N Kruse, M Krutelyov, V Kuhlmann, SE Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McGivern, D McIntyre, P McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A von der Mey, M Miao, T Miladinovic, N Miles, J Miller, R Miller, JS Mills, C Milnik, M Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Naumov, D Necula, V Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Papikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, K Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Rakitin, A Rappoccio, S Ratnikov, F Reisert, B Rekovic, V van Remortel, N Renton, P Rescigno, M Richter, S Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Rott, C Ruiz, A Russ, J Rusu, V Ryan, D Saarikko, H Sabik, S Safonov, A Sakumoto, WK Salamanna, G Salto, O Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Squillacioti, P Stanitzki, M Staveris-Polykalas, A St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tecchio, M Teng, PK Terashi, K Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Vallecorsa, S Varganov, A Vataga, E Velev, G Veramendi, G Veszpremi, V Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Worm, S Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, Y Yang, C Yang, UK Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhang, X Zhou, J Zucchelli, S CA CDF Collaboration TI Search for charged Higgs bosons from top quark decays in p(p)over-barcollisions at root s=1.96 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHENOMENOLOGY; PHYSICS AB We report the results of a search for a charged Higgs boson in the decays of top quarks produced in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV. We use a data sample corresponding to an integrated luminosity of 193 pb(-1) collected by the upgraded Collider Detector at Fermilab. No evidence for charged Higgs production is found, allowing 95% C.L. upper limits to be placed on BR(t -> H(+)b) for different charged Higgs decay scenarios. In addition, we present in the minimal supersymmetric standard model (m(H)(+/-),tan beta) plane the first exclusion regions with radiative and Yukawa coupling corrections. C1 Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. Baylor Univ, Waco, TX 76798 USA. Univ Bologna, Ist Nazl Fis Nucl, I-40127 Bologna, Italy. Brandeis Univ, Waltham, MA 02254 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Cantabria, CSIC, Inst Fis Cantabria, Santander 39005, Spain. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Joint Inst Nucl Res, RU-141980 Dubna, Russia. Duke Univ, Durham, NC 27708 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Florida, Gainesville, FL 32611 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Geneva, CH-1211 Geneva 4, Switzerland. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Harvard Univ, Cambridge, MA 02138 USA. Univ Helsinki, Div High Energy Phys, Dept Phys, FIN-00014 Helsinki, Finland. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Univ Illinois, Urbana, IL 61801 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. KEK, High Energy Accelerat Res Org, Tsukuba, Ibaraki 305, Japan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. Seoul Natl Univ, Seoul 151742, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. UCL, London WC1E 6BT, England. MIT, Cambridge, MA 02139 USA. McGill Univ, Inst Particle Phys, Montreal, PQ H3A 2T8, Canada. Univ Toronto, Toronto, ON M5S 1A7, Canada. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. Inst Theoret & Expt Phys, Moscow 117259, Russia. Univ New Mexico, Albuquerque, NM 87131 USA. Northwestern Univ, Evanston, IL 60208 USA. Ohio State Univ, Columbus, OH 43210 USA. Okayama Univ, Okayama 7008530, Japan. Osaka City Univ, Osaka 588, Japan. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padova Trento, I-35131 Padua, Italy. Univ Penn, Philadelphia, PA 19104 USA. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rochester, Rochester, NY 14627 USA. Rockefeller Univ, New York, NY 10021 USA. Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas A&M Univ, College Stn, TX 77843 USA. Univ Trieste, Ist Nazl Fis Nucl, Trieste, Italy. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Tufts Univ, Medford, MA 02155 USA. Waseda Univ, Tokyo 169, Japan. Wayne State Univ, Detroit, MI 48201 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Acad Sinica, Inst Phys, Taipei 11529, Taiwan. RI Lancaster, Mark/C-1693-2008; Levy, Stephen/C-3493-2011; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; St.Denis, Richard/C-8997-2012; Azzi, Patrizia/H-5404-2012; manca, giulia/I-9264-2012; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; messina, andrea/C-2753-2013; Connolly, Amy/J-3958-2013; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; Lazzizzera, Ignazio/E-9678-2015; vilar, rocio/P-8480-2014; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Prokoshin, Fedor/E-2795-2012; Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Leonardo, Nuno/M-6940-2016; Canelli, Florencia/O-9693-2016 OI Ruiz, Alberto/0000-0002-3639-0368; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Warburton, Andreas/0000-0002-2298-7315; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Prokoshin, Fedor/0000-0001-6389-5399; Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Leonardo, Nuno/0000-0002-9746-4594; Canelli, Florencia/0000-0001-6361-2117 NR 17 TC 86 Z9 86 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. 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Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Yushkov, AN Best, D Bondioli, M Bruinsma, M Chao, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Mommsen, RK Roethel, W Stoker, DP Buchanan, C Hartfiel, BL Weinstein, AJR Foulkes, SD Gary, JW Long, O Shen, BC Wang, K Zhang, L del Re, D Hadavand, HK Hill, EJ MacFarlane, DB Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Mazur, MA Richman, JD Verkerke, W Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Nesom, G Schalk, T Schumm, BA Seiden, A Spradlin, P Williams, DC Wilson, MG Albert, J Chen, E Dubois-Felsmann, GP Dvoretskii, A Hitlin, DG Minamora, JS Narsky, I Piatenko, T Porter, FC Ryd, A Samuel, A Andreassen, R Mancinelli, G Meadows, BT Sokoloff, MD Blanc, F Bloom, P Chen, S Ford, WT Hirschauer, JF Kreisel, A Nauenberg, U Olivas, A Ruddick, WO Smith, JG Ulmer, KA Wagner, SR Zhang, J Chen, A Eckhart, EA Soffer, A Toki, WH Wilson, RJ Zeng, Q Altenburg, D Feltresi, E Hauke, A Spaan, B Brandt, T Brose, J Dickopp, M Klose, V Lacker, HM Nogowski, R Otto, S Petzold, A Schubert, J Schubert, KR Schwierz, R Sundermann, JE Bernard, D Bonneaud, GR Grenier, P Schrenk, S Thiebaux, C Vasileiadis, G Verderi, M Bard, DJ Clark, PJ Gradl, W Muheim, F Playfer, S Xie, Y Andreotti, M Azzolini, V Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Luppi, E Negrini, M Piemontese, L Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Patteri, P Peruzzi, IM Piccolo, M Zallo, A Buzzo, A Capra, R Contri, R Lo Vetere, M Macri, M Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Brandenburg, G Chaisanguanthum, KS Morii, M Won, E Wu, J Dubitzky, RS Langenegger, U Marks, J Schenk, S Uwer, U Schott, G Bhimji, W Bowerman, DA Dauncey, PD Egede, U Flack, RL Gaillard, JR Nash, JA Nikolich, MB Vazquez, WP Chai, X Charles, MJ Mader, WF Mallik, U Mohapatra, AK Ziegler, V Cochran, J Crawley, HB Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, 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Paoloni, E Rama, M Rizzo, G Walsh, J Haire, M Judd, D Wagoner, DE Biesiada, J Danielson, N Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Bellini, F Cavoto, G D'Orazio, A Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Li Gioi, L Mazzoni, MA Morganti, S Piredda, G Polci, F Tehrani, FS Voena, C Schroder, H Wagner, G Waldi, R Adye, T De Groot, N Franek, B Gopal, GP Olaiya, EO Wilson, FF Aleksan, R Emery, S Gaidot, A Ganzhur, SF Graziani, G de Monchenault, GH Kozanecki, W Legendre, M London, GW Mayer, B Vasseur, G Yeche, C Zito, M Purohit, MV Weidemann, AW Wilson, JR Yumiceva, FX Abe, T Allen, MT Aston, D Bartoldus, R Berger, N Boyarski, AM Buchmueller, OL Claus, R Coleman, JP Convery, MR Cristinziani, M Dingfelder, JC Dong, D Dorfan, J Dujmic, D Dunwoodie, W Fan, S Field, RC Glanzman, T Gowdy, SJ Hadig, T Halyo, V Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, P Kocian, ML Leith, DWGS Libby, J Luitz, S Luth, V Lynch, HL Marsiske, H Messner, R Muller, DR O'Grady, CP Ozcan, VE Perazzo, A Perl, M Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J van Bakel, N Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Roat, C Ahmed, M Ahmed, S Alam, MS Bula, R Ernst, JA Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Satpathy, A Schwitters, RF Izen, JM Kitayama, I Lou, XC Ye, S Bianchi, F Bona, M Gallo, F Gamba, D Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Dittongo, S Grancagnolo, S Lanceri, L Vitale, L Martinez-Vidal, F Panvini, RS Banerjee, S Bhuyan, B Brown, CM Fortin, D Hamano, K Kowalewski, R Roney, JM Sobie, RJ Back, JJ Harrison, PF Latham, TE Mohanty, GB Band, HR Chen, X Cheng, B Dasu, S Datta, M Eichenbaum, AM Flood, KT Graham, M Hollar, JJ Johnson, JR Kutter, PE Li, H Liu, R Mellado, B Mihalyi, A Pan, Y Pierini, M Prepost, R Tan, P Wu, SL Yu, Z Neal, H CA BABAR Collaboration TI Search for lepton flavor violation in the decay tau(+/-)-> e(+/-)gamma SO PHYSICAL REVIEW LETTERS LA English DT Article ID MONTE-CARLO; TAU LEPTON; PHYSICS; LIMIT AB A search for the nonconservation of lepton flavor in the decay tau(+/-)-> e(+/-)gamma has been performed with 2.07x10(8) e(+)e(-)->tau(+)tau(-) events collected by the BABAR detector at the SLAC PEP II storage ring at a center-of-mass energy near 10.58 GeV. We find no evidence for a signal and set an upper limit on the branching ratio of B(tau(+/-)-> e(+/-)gamma)< 1.1x10(-7) at 90% confidence level. C1 Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Basilicata, I-85100 Potenza, Italy. Univ Autonoma Barcelona, IFAE, E-08193 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-70126 Bari, Italy. Inst High Energy Phys, Beijing 100039, Peoples R China. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, LLR, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartimento Fis, I-44100 Ferrara, Italy. Univ Ferrara, Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Univ Genoa, Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ Karlsruhe, Inst Expt Kernphys, D-76021 Karlsruhe, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 72E, Merseyside, England. Univ London, London E1 4NS, England. Univ London, Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Lab Rene JA Leves, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. Univ Naples Federico II, Ist Nazl Fis Nucl, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Paris 07, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Perugia, Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Roma La Sapienza, Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. Univ Trieste, Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Valencia, IFIC, CSIC, E-46071 Valencia, Spain. Vanderbilt Univ, Nashville, TN 37235 USA. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Lo Vetere, Maurizio/J-5049-2012; Negrini, Matteo/C-8906-2014; Forti, Francesco/H-3035-2011; Monge, Maria Roberta/G-9127-2012; Martinez Vidal, F*/L-7563-2014; Luppi, Eleonora/A-4902-2015; Cavallo, Nicola/F-8913-2012; Oyanguren, Arantza/K-6454-2014; M, Saleem/B-9137-2013; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009; Bellini, Fabio/D-1055-2009; Lista, Luca/C-5719-2008; Neri, Nicola/G-3991-2012; Rotondo, Marcello/I-6043-2012; Grancagnolo, Sergio/J-3957-2015; Saeed, Mohammad Alam/J-7455-2012; de Sangro, Riccardo/J-2901-2012; Patrignani, Claudia/C-5223-2009 OI Lo Vetere, Maurizio/0000-0002-6520-4480; Negrini, Matteo/0000-0003-0101-6963; Forti, Francesco/0000-0001-6535-7965; Monge, Maria Roberta/0000-0003-1633-3195; Martinez Vidal, F*/0000-0001-6841-6035; Luppi, Eleonora/0000-0002-1072-5633; Oyanguren, Arantza/0000-0002-8240-7300; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Peters, Klaus/0000-0001-7133-0662; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Rotondo, Marcello/0000-0001-5704-6163; Grancagnolo, Sergio/0000-0001-8490-8304; Saeed, Mohammad Alam/0000-0002-3529-9255; de Sangro, Riccardo/0000-0002-3808-5455; Patrignani, Claudia/0000-0002-5882-1747 NR 23 TC 104 Z9 104 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 041801 DI 10.1103/PhysRevLett.96.041801 PG 7 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600016 PM 16486807 ER PT J AU Battaglieri, M de Vita, R Kubarovsky, V Guo, L Mutchler, GS Stoler, P Weygand, DP Ambrozewicz, P Anghinolfi, M Asryan, G Avakian, H Bagdasaryan, H Baillie, N Ball, JP Baltzell, NA Batourine, V Bedlinskiy, I Bellis, M Benmouna, N Berman, BL Biselli, AS Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Chen, S Clinton, E Cole, PL Coltharp, P Crabb, D Crannell, H Cummings, JP Dale, D De Sanctis, E Degtyarenko, PV Deur, A Dharmawardane, KV Djalali, C Dodge, GE Donnelly, J Doughty, D Dugger, M Dzyubak, OP Egiyan, H Egiyan, KS Elouadrhiri, L Eugenio, P Fedotov, G Funsten, H Gabrielyan, MY Gan, L Garcon, M Gasparian, A Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Glamazdin, O Goett, J Goetz, JT Golovach, E Gonenc, A Gordon, CIO Gothe, RW Griffioen, KA Guidal, M Guler, N Gyurjyan, V Hadjidakis, C Hakobyan, RS Hardie, J Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Ito, MM Jenkins, D Jo, HS Joo, K Juengst, HG Kellie, JD Khandaker, M Kim, W Klein, A Klein, FJ Klimenko, AV Kossov, M Kramer, LH Kuhn, J Kuhn, SE Kuleshov, SV Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Li, J Livingston, K McKinnon, B Mecking, BA Melone, JJ Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mochalov, V Mokeev, V Morand, L Morrow, SA Nadel-Turonski, P Nakagawa, I Nasseripour, R Niccolai, S Niculescu, G Niculescu, I Niczyporuk, BB Niyazov, RA Nozar, M Osipenko, M Ostrovidov, AI Park, K Pasyuk, E Paterson, C Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Price, JW Prok, Y Protopopescu, D Raue, BA Riccardi, G Ricco, G Ripani, M Ritchie, BG Ronchetti, F Rosner, G Rossi, P Sabatie, F Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Sharabian, YG Smith, ES Smith, LC Sober, DI Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Strakovsky, II Strauch, S Taiuti, M Tedeschi, DJ Teymurazyan, A Thoma, U Tkabladze, A Tkachenko, S Todor, L Tur, C Ungaro, M Vineyard, MF Vlassov, AV Weinstein, LB Williams, M Wolin, E Wood, MH Yegneswaran, A Zana, L Zhang, J Zhao, B AF Battaglieri, M de Vita, R Kubarovsky, V Guo, L Mutchler, GS Stoler, P Weygand, DP Ambrozewicz, P Anghinolfi, M Asryan, G Avakian, H Bagdasaryan, H Baillie, N Ball, JP Baltzell, NA Batourine, V Bedlinskiy, I Bellis, M Benmouna, N Berman, BL Biselli, AS Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Chen, S Clinton, E Cole, PL Coltharp, P Crabb, D Crannell, H Cummings, JP Dale, D De Sanctis, E Degtyarenko, PV Deur, A Dharmawardane, KV Djalali, C Dodge, GE Donnelly, J Doughty, D Dugger, M Dzyubak, OP Egiyan, H Egiyan, KS Elouadrhiri, L Eugenio, P Fedotov, G Funsten, H Gabrielyan, MY Gan, L Garcon, M Gasparian, A Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Glamazdin, O Goett, J Goetz, JT Golovach, E Gonenc, A Gordon, CIO Gothe, RW Griffioen, KA Guidal, M Guler, N Gyurjyan, V Hadjidakis, C Hakobyan, RS Hardie, J Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Ito, MM Jenkins, D Jo, HS Joo, K Juengst, HG Kellie, JD Khandaker, M Kim, W Klein, A Klein, FJ Klimenko, AV Kossov, M Kramer, LH Kuhn, J Kuhn, SE Kuleshov, SV Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Li, J Livingston, K McKinnon, B Mecking, BA Melone, JJ Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mochalov, V Mokeev, V Morand, L Morrow, SA Nadel-Turonski, P Nakagawa, I Nasseripour, R Niccolai, S Niculescu, G Niculescu, I Niczyporuk, BB Niyazov, RA Nozar, M Osipenko, M Ostrovidov, AI Park, K Pasyuk, E Paterson, C Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Price, JW Prok, Y Protopopescu, D Raue, BA Riccardi, G Ricco, G Ripani, M Ritchie, BG Ronchetti, F Rosner, G Rossi, P Sabatie, F Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Sharabian, YG Smith, ES Smith, LC Sober, DI Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Strakovsky, II Strauch, S Taiuti, M Tedeschi, DJ Teymurazyan, A Thoma, U Tkabladze, A Tkachenko, S Todor, L Tur, C Ungaro, M Vineyard, MF Vlassov, AV Weinstein, LB Williams, M Wolin, E Wood, MH Yegneswaran, A Zana, L Zhang, J Zhao, B CA CLAS Collaboration TI Search for Theta(+)(1540) pentaquark in high-statistics measurement of gamma p ->(K)over-bar(0)K(+)n at CLAS SO PHYSICAL REVIEW LETTERS LA English DT Article ID POSITIVE-STRANGENESS; BARYON STATE; PHOTOPRODUCTION; RESONANCE; COLLISIONS; DETECTOR; ENERGY; SYSTEM; MASS; HERA AB The exclusive reaction gamma p ->(K) over bar (0)K(+)n was studied in the photon energy range between 1.6 and 3.8 GeV searching for evidence of the exotic baryon Theta(+)(1540)-> nK(+). The decay to nK(+) requires the assignment of strangeness S=+1 to any observed resonance. Data were collected with the CLAS detector at the Thomas Jefferson National Accelerator Facility corresponding to an integrated luminosity of 70 pb(-1). No evidence for the Theta(+) pentaquark was found. Upper limits were set on the production cross section as function of center-of-mass angle and nK(+) mass. The 95% C.L. upper limit on the total cross section for a narrow resonance at 1540 MeV was found to be 0.8 nb. C1 Univ Genoa, Ist Nazl Fis Nucl, Sez Gen, I-16146 Genoa, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Rensselaer Polytech Inst, Troy, NY 12180 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Rice Univ, Houston, TX 77005 USA. Arizona State Univ, Tempe, AZ 85287 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Calif State Univ, Carson, CA 90747 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Catholic Univ Amer, Washington, DC 20064 USA. CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. Christopher Newport Univ, Newport News, VA 23606 USA. Univ Connecticut, Storrs, CT 06269 USA. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Florida Int Univ, Miami, FL 33199 USA. Florida State Univ, Tallahassee, FL 32306 USA. George Washington Univ, Washington, DC 20052 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Idaho State Univ, Pocatello, ID 83209 USA. Ist Nazl Fis Nucl, Nazl Frascati Lab, I-00044 Frascati, Italy. ORSAY, Inst Phys Nucl, Orsay, France. Inst High Energy Phys, Protvino 142281, Russia. Inst Theoret & Expt Phys, Moscow 117259, Russia. Kharkov Phys & Technol Inst, UA-61108 Kharkov, Ukraine. Kyungpook Natl Univ, Taegu 702701, South Korea. Univ Massachusetts, Amherst, MA 01003 USA. Moscow MV Lomonosov State Univ, Gen Nucl Phys Inst, Moscow 119899, Russia. Univ New Hampshire, Durham, NH 03824 USA. Norfolk State Univ, Norfolk, VA 23504 USA. Ohio Univ, Athens, OH 45701 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Univ Richmond, Richmond, VA 23173 USA. Univ S Carolina, Columbia, SC 29208 USA. Union Coll, Schenectady, NY 12308 USA. Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. Univ Virginia, Charlottesville, VA 22901 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. Univ Kentucky, Lexington, KY 40506 USA. Univ N Carolina, Wilmington, NC 28403 USA. N Carolina Agr & Tech State Univ, Greensboro, NC 27455 USA. RIKEN, Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. RP Univ Genoa, Ist Nazl Fis Nucl, Sez Gen, I-16146 Genoa, Italy. RI Ireland, David/E-8618-2010; Goett, Johnny/D-1277-2012; Osipenko, Mikhail/N-8292-2015; Protopopescu, Dan/D-5645-2012; riccardi, gabriele/A-9269-2012; Zana, Lorenzo/H-3032-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Kuleshov, Sergey/D-9940-2013; Schumacher, Reinhard/K-6455-2013; Meyer, Curtis/L-3488-2014; Sabatie, Franck/K-9066-2015; Zhang, Jixie/A-1461-2016 OI Ireland, David/0000-0001-7713-7011; Osipenko, Mikhail/0000-0001-9618-3013; Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973; Sabatie, Franck/0000-0001-7031-3975; NR 44 TC 76 Z9 80 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 042001 DI 10.1103/PhysRevLett.96.042001 PG 6 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600017 PM 16486808 ER PT J AU Deng, S Barnes, CD Clayton, CE O'Connell, C Decker, FJ Fonseca, RA Huang, C Hogan, MJ Iverson, R Johnson, DK Joshi, C Katsouleas, T Krejcik, P Lu, W Mori, WB Muggli, P Oz, E Tsung, F Walz, D Zhou, M AF Deng, S Barnes, CD Clayton, CE O'Connell, C Decker, FJ Fonseca, RA Huang, C Hogan, MJ Iverson, R Johnson, DK Joshi, C Katsouleas, T Krejcik, P Lu, W Mori, WB Muggli, P Oz, E Tsung, F Walz, D Zhou, M TI Hose instability and wake generation by an intense electron beam in a self-ionized gas SO PHYSICAL REVIEW LETTERS LA English DT Article ID LASER-PULSES; SIMULATIONS; PLASMAS AB The propagation of an intense relativistic electron beam through a gas that is self-ionized by the beam's space charge and wakefields is examined analytically and with 3D particle-in-cell simulations. Instability arises from the coupling between a beam and the offset plasma channel it creates when it is perturbed. The traditional electron hose instability in a preformed plasma is replaced with this slower growth instability depending on the radius of the ionization channel compared to the electron blowout radius. A new regime for hose stable plasma wakefield acceleration is suggested. C1 Univ So Calif, Los Angeles, CA 90089 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Deng, S (reprint author), Univ So Calif, Los Angeles, CA 90089 USA. RI Fonseca, Ricardo/B-7680-2009; Lu, Wei/F-2504-2016 OI Fonseca, Ricardo/0000-0001-6342-6226; NR 19 TC 7 Z9 8 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 045001 DI 10.1103/PhysRevLett.96.045001 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600043 PM 16486834 ER PT J AU Fazileh, F Gooding, RJ Atkinson, WA Johnston, DC AF Fazileh, F Gooding, RJ Atkinson, WA Johnston, DC TI Role of strong electronic correlations in the metal-to-insulator transition in disordered LiAlyTi2-yO4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID LITI2O4; SUPERCONDUCTIVITY; OXIDE; CU AB The compound LiAlyTi2-yO4 undergoes a metal-to-insulator transition for y(c) similar to 0.33. It is known that disorder alone is insufficient to explain this transition; e. g., a quantum site percolation model predicts y(c) similar to 0.8. We have included (Hubbard) electronic interactions into a model of this compound, using a real-space Hartree-Fock approach that achieves self-consistency at every site, and have found that for a Hubbard energy equal to 1.5 times the non-interacting bandwidth one obtains y(c) similar to 0.3. Further, with increasing Hubbard energy we find an Altshuler-Aronov suppression of the density of states, delta N(epsilon) similar to root vertical bar epsilon-epsilon(F)vertical bar, that reduces the density of states at the Fermi energy to zero at the critical Hubbard interaction. Using this ratio of correlation to hopping energy one is led to a prediction of the near-neighbor superexchange (J/t similar to 1/3) which is similar to that for the cuprate superconductors. C1 Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. Trent Univ, Dept Phys, Peterborough, ON K9J 7B8, Canada. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Fazileh, F (reprint author), Univ Windsor, Dept Phys, Windsor, ON N9B 3P4, Canada. NR 18 TC 17 Z9 17 U1 1 U2 13 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 046410 DI 10.1103/PhysRevLett.96.046410 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600072 PM 16486863 ER PT J AU Fons, P Tampo, H Kolobov, AV Ohkubo, M Niki, S Tominaga, J Carboni, R Boscherini, F Friedrich, S AF Fons, P Tampo, H Kolobov, AV Ohkubo, M Niki, S Tominaga, J Carboni, R Boscherini, F Friedrich, S TI Direct observation of nitrogen location in molecular beam epitaxy grown nitrogen-doped ZnO SO PHYSICAL REVIEW LETTERS LA English DT Article ID FILMS; SAPPHIRE; PSEUDOPOTENTIALS; SPECTROSCOPY; HYDROGEN AB ZnO is a wide band gap, naturally n-type semiconductor with great promise for optoelectronic applications; the main obstacle yet to be overcome is p-type doping. Nitrogen, the most promising candidate currently being pursued as a dopant, has been predicted to preferentially incorporate into the ZnO lattice in the form of a N-2(-) molecule at an O site when a plasma source is used, leading to compensation rather than p-type doping. We demonstrate this to be incorrect by using N K-edge x-ray absorption spectra and comparing them with first-principles calculations showing that nitrogen, in fact, incorporates substitutionally at O sites where it is expected to act as an acceptor. We also detect the formation of molecular nitrogen upon annealing. These results suggest that effective p-type doping of ZnO with N may be possible only for low-temperature growth processes. C1 Natl Inst Adv Ind Sci & Technol, Tsukuba, Ibaraki 3058562, Japan. Univ Bologna, Dept Phys, I-40127 Bologna, Italy. Univ Bologna, CNISM, I-40127 Bologna, Italy. L270 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. RP Fons, P (reprint author), Natl Inst Adv Ind Sci & Technol, Tsukuba Cent 4,Higashi 1-1-1, Tsukuba, Ibaraki 3058562, Japan. EM paul-fons@aist.go.jp RI Fons, Paul/E-2471-2011 NR 28 TC 95 Z9 97 U1 0 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 045504 DI 10.1103/PhysRevLett.96.045504 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600051 PM 16486842 ER PT J AU Grimsditch, M Fradin, FY Ji, Y Hoffmann, A Camley, RE Metlushko, V Novosad, V AF Grimsditch, M Fradin, FY Ji, Y Hoffmann, A Camley, RE Metlushko, V Novosad, V TI Coherent inelastic light scattering from a microwave-excited array of magnetic particles SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERROMAGNETIC-RESONANCE; DYNAMICS; FILMS; PERMALLOY AB Inelastic light scattering from an array of Permalloy particles driven by a microwave magnetic field is shown to be a coherent phenomenon in which the scattered radiation is observed only at diffraction angles corresponding to the reciprocal lattice of the array. The results are explained in terms of the phase coherence of the inelastically scattered light by each of the particles. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Univ Colorado, Dept Phys, Colorado Springs, CO 80918 USA. Univ Illinois, Dept Elect & Comp Engn, Chicago, IL 60607 USA. RP Grimsditch, M (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Ji, Yi/K-8027-2012; Hoffmann, Axel/A-8152-2009; Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 OI Hoffmann, Axel/0000-0002-1808-2767; NR 18 TC 11 Z9 11 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 047401 DI 10.1103/PhysRevLett.96.047401 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600102 PM 16486893 ER PT J AU Hayes, AB Cline, D Wu, CY Ai, J Amro, H Beausang, C Casten, RF Gerl, J Hecht, AA Heinz, A Hughes, R Janssens, RVF Lister, CJ Macchiavelli, AO Meyer, DA Moore, EF Napiorkowski, P Pardo, RC Schlegel, C Seweryniak, D Simon, MW Srebrny, J Teng, R Vetter, K Wollersheim, HJ AF Hayes, AB Cline, D Wu, CY Ai, J Amro, H Beausang, C Casten, RF Gerl, J Hecht, AA Heinz, A Hughes, R Janssens, RVF Lister, CJ Macchiavelli, AO Meyer, DA Moore, EF Napiorkowski, P Pardo, RC Schlegel, C Seweryniak, D Simon, MW Srebrny, J Teng, R Vetter, K Wollersheim, HJ TI Breakdown of K selection in Hf-178 SO PHYSICAL REVIEW LETTERS LA English DT Article ID TRANSITION-PROBABILITIES; BARRIER PENETRATION; ISOMER; DECAYS; STATES AB Coulomb activation of the four quasiparticle K-pi=16(+) Hf-178 isomer (t(1/2)=31 y) has led to the measurement of a set of E lambda matrix elements coupling the isomer band to the ground band. The present data combined with earlier Hf-178 Coulomb excitation data have probed the K components in the wave functions and revealed the onset and saturation of K mixing in low-K bands, whereas the mixing is negligible in the high-K bands. The implications can be applied to other quadrupole-deformed nuclei. C1 Univ Rochester, Dept Phys, Nucl Struct Res Lab, Rochester, NY 14627 USA. Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. Univ Richmond, Dept Phys, Richmond, VA 23173 USA. GSI Darmstadt, D-64291 Darmstadt, Germany. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Warsaw Univ, Warsaw, Poland. RP Hayes, AB (reprint author), Univ Rochester, Dept Phys, Nucl Struct Res Lab, 601 Elmwood Ave, Rochester, NY 14627 USA. RI Heinz, Andreas/E-3191-2014; Gerl, Juergen/A-3255-2011 NR 22 TC 18 Z9 21 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 042505 DI 10.1103/PhysRevLett.96.042505 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600024 PM 16486815 ER PT J AU Hoyt, JJ AF Hoyt, JJ TI Effect of stress on melting and freezing in nanopores SO PHYSICAL REVIEW LETTERS LA English DT Article ID THERMOMECHANICAL EQUILIBRIUM; ALUMINUM; CRYSTALS; INTERFACES; SYSTEMS; MATRIX AB A thermodynamic treatment of the freezing of fluids confined to nanosized closed pores is presented. The model includes the effects of pressure in the liquid, the volume change on solidification, and the strain energy in both the solidifying material and the wall material. When applied to the system of Pb droplets in Al, the model predicts an elevation of the melting point, in agreement with experiment. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hoyt, JJ (reprint author), Sandia Natl Labs, MS 1411,POB 5800, Albuquerque, NM 87185 USA. NR 23 TC 17 Z9 17 U1 0 U2 5 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 045702 DI 10.1103/PhysRevLett.96.045702 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600054 PM 16486845 ER PT J AU Isakovic, AF Evans, PG Kmetko, J Cicak, K Cai, Z Lai, B Thorne, RE AF Isakovic, AF Evans, PG Kmetko, J Cicak, K Cai, Z Lai, B Thorne, RE TI Shear modulus and plasticity of a driven charge density wave SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY MICRODIFFRACTION; PHASE-SLIP; NBSE3 AB We have probed the effects of transverse variations in pinning strength on charge-density-wave (CDW) structure in NbSe3 by x-ray micro-beam diffraction. In ribbonlike crystals having a large longitudinal step in thickness, the CDW first depins on the thick side of the step, causing rotations of the CDW wave vector. By measuring these rotations as a function of position and electric field, the corresponding shear strains are determined, allowing the CDW's shear modulus to be estimated. These results demonstrate the usefulness of x-ray microdiffraction as a tool in studying collective dynamics in electronic crystals. C1 Cornell Univ, Atom & Solid State Phys Lab, Ithaca, NY 14853 USA. Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Isakovic, AF (reprint author), Cornell Univ, Atom & Solid State Phys Lab, Ithaca, NY 14853 USA. EM ret6@cornell.edu RI Isakovic, Abdel/A-7430-2009; Evans, Paul/A-9260-2009 OI Isakovic, Abdel/0000-0003-1779-4209; Evans, Paul/0000-0003-0421-6792 NR 22 TC 14 Z9 14 U1 0 U2 7 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 046401 DI 10.1103/PhysRevLett.96.046401 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600063 PM 16486854 ER PT J AU Jaikumar, P Reddy, S Steiner, AW AF Jaikumar, P Reddy, S Steiner, AW TI Strange star surface: A crust with nuggets SO PHYSICAL REVIEW LETTERS LA English DT Article ID 1ST-ORDER PHASE-TRANSITIONS; NEUTRON-STARS; QUARK MATTER; DROPLETS; DENSITY; CHARGE AB We reexamine the surface composition of strange stars. Strange quark stars are hypothetical compact stars which could exist if strange quark matter was absolutely stable. It is widely accepted that they are characterized by an enormous density gradient (10(26) g/cm(4)) and large electric fields at the surface. By investigating the possibility of realizing a heterogeneous crust, comprised of nuggets of strange quark matter embedded in an uniform electron background, we find that the strange star surface has a much reduced density gradient and negligible electric field. We comment on how our findings will impact various proposed observable signatures for strange stars. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Jaikumar, P (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Steiner, Andrew/0000-0003-2478-4017 NR 28 TC 66 Z9 66 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 041101 DI 10.1103/PhysRevLett.96.041101 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600009 PM 16486800 ER PT J AU Kasinathan, D Kunes, J Lazicki, A Rosner, H Yoo, CS Scalettar, RT Pickett, WE AF Kasinathan, D Kunes, J Lazicki, A Rosner, H Yoo, CS Scalettar, RT Pickett, WE TI Superconductivity and lattice instability in compressed lithium from fermi surface hot spots SO PHYSICAL REVIEW LETTERS LA English DT Article ID LINEAR-RESPONSE THEORY; TRANSITION-TEMPERATURE; DENSE LITHIUM; PRESSURE; METALS; MGB2 AB The highest superconducting temperature T-c observed in any elemental metal (Li with T-c similar to 18-20 K at pressure 35-48 GPa) is shown to arise from increasingly strong electron-phonon coupling concentrated along intersections of Kohn anomaly surfaces with the evolving Fermi surface. First-principles linear response calculations of the phonon spectrum and spectral function alpha F-2(omega) reveal very strong Q- and phonon-polarization dependence of coupling strength, resulting in values of T-c in the observed range. The sharp momentum dependence of the coupling even for the simple Li Fermi surface indicates more generally that a fine Q mesh is required for precise evaluation of lambda. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. ASCR, Inst Phys, Prague 16253 6, Czech Republic. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Max Planck Inst Chem Phys Fester Stoffe, Dresden, Germany. RP Kasinathan, D (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RI Kunes, Jan/B-4484-2008; Kasinathan, Deepa/M-8825-2015 OI Kunes, Jan/0000-0001-9682-7640; Kasinathan, Deepa/0000-0002-9063-6867 NR 28 TC 71 Z9 72 U1 2 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 047004 DI 10.1103/PhysRevLett.96.047004 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600084 PM 16486875 ER PT J AU Kim, W Zide, J Gossard, A Klenov, D Stemmer, S Shakouri, A Majumdar, A AF Kim, W Zide, J Gossard, A Klenov, D Stemmer, S Shakouri, A Majumdar, A TI Thermal conductivity reduction and thermoelectric figure of merit increase by embedding nanoparticles in crystalline semiconductors SO PHYSICAL REVIEW LETTERS LA English DT Article ID LORENZ NUMBER; SUPERLATTICES; TEMPERATURES; TRANSPORT; SI/SIGE; DEVICES; ALLOYS; MODEL AB Atomic substitution in alloys can efficiently scatter phonons, thereby reducing the thermal conductivity in crystalline solids to the "alloy limit." Using In0.53Ga0.47As containing ErAs nanoparticles, we demonstrate thermal conductivity reduction by almost a factor of 2 below the alloy limit and a corresponding increase in the thermoelectric figure of merit by a factor of 2. A theoretical model suggests that while point defects in alloys efficiently scatter short-wavelength phonons, the ErAs nanoparticles provide an additional scattering mechanism for the mid-to-long-wavelength phonons. C1 Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Dept Elect Engn, Santa Cruz, CA 95064 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Majumdar, A (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM majumdar@me.berkeley.edu RI Stemmer, Susanne/H-6555-2011 OI Stemmer, Susanne/0000-0002-3142-4696 NR 25 TC 483 Z9 484 U1 23 U2 194 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 045901 DI 10.1103/PhysRevLett.96.045901 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600058 PM 16486849 ER PT J AU Maier, TA Jarrell, MS Scalapino, DJ AF Maier, TA Jarrell, MS Scalapino, DJ TI Structure of the pairing interaction in the two-dimensional Hubbard model SO PHYSICAL REVIEW LETTERS LA English DT Article ID PARTICLE INTERACTION; SUPERCONDUCTIVITY AB Dynamic cluster Monte Carlo calculations for the doped two-dimensional Hubbard model are used to study the irreducible particle-particle vertex responsible for d(x)(2)-y(2) pairing in this model. This vertex increases with increasing momentum transfer and decreases when the energy transfer exceeds a scale associated with the Q=(pi,pi) spin susceptibility. Using an exact decomposition of this vertex into a fully irreducible two-fermion vertex and charge and magnetic exchange channels, the dominant part of the effective pairing interaction is found to come from the magnetic, spin S=1 exchange channel. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. RP Maier, TA (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM maierta@ornl.gov; jarrell@physics.uc.edu; djs@vulcan2.physics.ucsb.edu RI Maier, Thomas/F-6759-2012 OI Maier, Thomas/0000-0002-1424-9996 NR 12 TC 60 Z9 60 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 047005 DI 10.1103/PhysRevLett.96.047005 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600085 PM 16486876 ER PT J AU Masuda, T Zheludev, A Manaka, H Regnault, LP Chung, JH Qiu, Y AF Masuda, T Zheludev, A Manaka, H Regnault, LP Chung, JH Qiu, Y TI Dynamics of composite haldane spin chains in IPA-CuCl3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID NEUTRON SPECTROMETERS; MAGNETIC EXCITATIONS; LADDER; GAP; (CH3)(2)CHNH3CUCL3; SCATTERING; STATE AB Magnetic excitations in the quasi-one-dimensional antiferromagnet IPA-CuCl3 are studied by cold neutron inelastic scattering. Strongly dispersive gap excitations are observed. Contrary to previously proposed models, the system is best described as an asymmetric quantum spin ladder. The observed spectrum is interpreted in terms of composite Haldane spin chains. The key difference from actual S=1 chains is a sharp cutoff of the single-magnon spectrum at a certain critical wave vector. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Kagoshima Univ, Grad Sch Sci & Engn, Kagoshima 8900065, Japan. CEA Grenoble, DRFMC, SPSMS, MDN, F-38054 Grenoble 9, France. Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. RP Masuda, T (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM tmasuda@yokohama-cu.ac.jp; zheludevai@ornl.gov NR 23 TC 86 Z9 86 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 047210 DI 10.1103/PhysRevLett.96.047210 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600099 PM 16486890 ER PT J AU Mena, O Santiago, J Weller, J AF Mena, O Santiago, J Weller, J TI Constraining inverse-curvature gravity with supernovae SO PHYSICAL REVIEW LETTERS LA English DT Article ID HUBBLE-SPACE-TELESCOPE; DARK ENERGY; COSMOLOGICAL CONSTANT; NEWTONIAN LIMIT; GALAXY CLUSTERS; UNIVERSE; POWERS; MODELS; SCALAR AB We show that models of generalized modified gravity, with inverse powers of the curvature, can explain the current accelerated expansion of the Universe without resorting to dark energy and without conflicting with solar system experiments. We have solved the Friedmann equations for the full dynamical range of the evolution of the Universe and performed a detailed analysis of supernovae data in the context of such models that results in an excellent fit. If we further include constraints on the current expansion of the Universe and on its age, we obtain that the matter content of the Universe is 0.07 <=omega(m)<= 0.21 (95% C.L.). Hence the inverse-curvature gravity models considered cannot explain the dynamics of the Universe just with a baryonic matter component. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. UCL, Dept Phys & Astron, London WC1E 6BT, England. RP Mena, O (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Santiago, Jose/D-9109-2016; OI Santiago, Jose/0000-0003-3585-5626; Weller, Jochen/0000-0002-8282-2010 NR 28 TC 82 Z9 82 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 041103 DI 10.1103/PhysRevLett.96.041103 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600011 PM 16486802 ER PT J AU Nagaitsev, S Broemmelsiek, D Burov, A Carlson, K Gattuso, C Hu, M Kroc, T Prost, L Pruss, S Sutherland, M Schmidt, CW Shemyakin, A Tupikov, V Warner, A Kazakevich, G Seletskiy, S AF Nagaitsev, S Broemmelsiek, D Burov, A Carlson, K Gattuso, C Hu, M Kroc, T Prost, L Pruss, S Sutherland, M Schmidt, CW Shemyakin, A Tupikov, V Warner, A Kazakevich, G Seletskiy, S TI Experimental demonstration of relativistic electron cooling SO PHYSICAL REVIEW LETTERS LA English DT Article ID BEAM AB We report on an experimental demonstration of electron cooling of high-energy antiprotons circulating in a storage ring. In our experiments, electron cooling, a well-established method at low energies (< 500 MeV/nucleon), was carried out in a new region of beam parameters, requiring a multi-MeV dc electron beam and an unusual beam transport line. In this Letter, we present the results of the longitudinal cooling force measurements and compare them with theoretical predictions. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Rochester, Rochester, NY 14627 USA. RP Nagaitsev, S (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. NR 12 TC 27 Z9 27 U1 0 U2 1 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 044801 DI 10.1103/PhysRevLett.96.044801 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600042 PM 16486833 ER PT J AU Nassar, H Paul, M Ahmad, I Ben-Dov, Y Caggiano, J Ghelberg, S Goriely, S Greene, JP Hass, M Heger, A Heinz, A Henderson, DJ Janssens, RVF Jiang, CL Kashiv, Y Singh, BSN Ofan, A Pardo, RC Pennington, T Rehm, KE Savard, G Scott, R Vondrasek, R AF Nassar, H Paul, M Ahmad, I Ben-Dov, Y Caggiano, J Ghelberg, S Goriely, S Greene, JP Hass, M Heger, A Heinz, A Henderson, DJ Janssens, RVF Jiang, CL Kashiv, Y Singh, BSN Ofan, A Pardo, RC Pennington, T Rehm, KE Savard, G Scott, R Vondrasek, R TI Ca-40(alpha,gamma)Ti-44 reaction in the energy regime of supernova nucleosynthesis SO PHYSICAL REVIEW LETTERS LA English DT Article ID STATISTICAL-MODEL CALCULATIONS; MASSIVE STARS; CROSS-SECTION; TI-44; NUCLEAR; ACCELERATOR; CASSIOPEIA; DENSITIES; EXPLOSION; EVOLUTION AB The Ti-44(t(1/2)=59 yr) nuclide, an important signature of supernova nucleosynthesis, has recently been observed as live radioactivity by gamma-ray astronomy from the Cas A remnant. We investigate in the laboratory the major Ti-44 production reaction Ca-40(alpha,gamma)Ti-44 (E(c.m.)similar to 0.6-1.2 MeV/u) by direct off-line counting of Ti-44 nuclei. The yield, significantly higher than inferred from previous experiments, is analyzed in terms of a statistical model using microscopic nuclear inputs. The associated stellar rate has important astrophysical consequences, increasing the calculated supernova Ti-44 yield by a factor similar to 2 over previous estimates and bringing it closer to Cas A observations. C1 Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. Argonne Natl Lab, Argonne, IL 60439 USA. NRC Negev, Div Phys, IL-84190 Beer Sheva, Israel. Univ Libre Bruxelles, B-1050 Brussels, Belgium. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Nassar, H (reprint author), Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. RI Heinz, Andreas/E-3191-2014 NR 34 TC 34 Z9 34 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 041102 DI 10.1103/PhysRevLett.96.041102 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600010 PM 16486801 ER PT J AU Park, T Sidorov, VA Sarrao, JL Thompson, JD AF Park, T Sidorov, VA Sarrao, JL Thompson, JD TI Anomalous pressure dependence of the kadowaki-woods ratio and crystal-field effects in mixed-valence YbInCu4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID HEAVY-FERMION SYSTEMS; PHASE-TRANSITION; STATE; YB; YBIN1-XAGXCU4; BEHAVIOR AB The mixed-valence compound YbInCu4 was investigated by electrical resistivity and ac specific heat at low temperatures and high pressures. At atmospheric pressure, its Kadowaki-Woods (KW) ratio A/gamma(2) is 16 times smaller than the universal value R-KW( = 1.0 x 10(-5) mu Omega(.)cm(.)mol(2.)K(2.)mJ(-2)), but sharply increases to 16.5R(KW) at 27 kbar. The pressure-induced change in the KW ratio and deviation from R-KW are analyzed in terms of the change in f-orbital degeneracy N and carrier density n. This analysis is further supported by a dramatic change in residual resistivity rho(0) near 25 kbar, where rho(0) jumps by a factor of 7. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Park, T (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Park, Tuson/A-1520-2012 NR 23 TC 13 Z9 13 U1 0 U2 4 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 046405 DI 10.1103/PhysRevLett.96.046405 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600067 PM 16486858 ER PT J AU Qian, D Wray, L Hsieh, D Wu, D Luo, JL Wang, NL Kuprin, A Fedorov, A Cava, RJ Viciu, L Hasan, MZ AF Qian, D Wray, L Hsieh, D Wu, D Luo, JL Wang, NL Kuprin, A Fedorov, A Cava, RJ Viciu, L Hasan, MZ TI Quasiparticle dynamics in the vicinity of metal-insulator phase transition in NaxCoO2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; FERMI-SURFACE AB Layered cobaltates embody novel realizations of correlated matter on a spin-1/2 triangular lattice. We report a high-resolution systematic photoemission study of the insulating cobaltates. The observation of a single-particle gap opening and band folding provides direct evidence of anisotropic particle-hole instability on the Fermi surface due to its unique topology. Overlap of the measured Fermi surface is observed with the root 3 x root 3 charge-order Brillouin zone near x = 1/3 but not at x = 1/2 where the insulating transition is actually observed. Unlike conventional density waves, charge stripes, or band insulators, the onset of the gap depends on the quasiparticle's quantum coherence which is found to occur well below the disorder-order symmetry breaking temperature of the crystal ( the first known example of its kind). C1 Princeton Univ, Dept Phys, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100080, Peoples R China. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94305 USA. Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. Princeton Univ, Princeton Ctr Complex Mat, Princeton, NJ 08544 USA. RP Qian, D (reprint author), Princeton Univ, Dept Phys, Joseph Henry Labs Phys, Princeton, NJ 08544 USA. EM mzhasan@princeton.edu RI HASAN, M. Zahid/D-8237-2012; Qian, Dong/O-1028-2015 NR 29 TC 54 Z9 57 U1 2 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 046407 DI 10.1103/PhysRevLett.96.046407 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600069 PM 16486860 ER PT J AU Rozenberg, GK Pasternak, MP Xu, WM Amiel, Y Hanfland, M Amboage, M Taylor, RD Jeanloz, R AF Rozenberg, GK Pasternak, MP Xu, WM Amiel, Y Hanfland, M Amboage, M Taylor, RD Jeanloz, R TI Origin of the verwey transition in magnetite SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-PRESSURE PHASE; FE3O4 AB Comprehensive x-ray powder diffraction studies were carried out in magnetite in the 80-150 K and 0-12 GPa ranges with a membrane-driven diamond anvil cell and helium as a pressure medium. Careful data analyses have shown that a reversible, cubic to a distorted-cubic, structural transition takes place with increasing pressure, within the (P,T) regime below the Verwey temperature T-V(P). The experimental documentation that T-V(P) = T-dist(P) implies that the pressure-temperature-driven metal-insulator Verwey transition is caused by a gap opening in the electronic band structure due to the crystal-structural transformation to a lower-symmetry phase. The distorted-cubic insulating phase comprises a relatively small pressure-temperature range of the stability field of the cubic metallic phase that extends to 25 GPa. C1 Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. NR 18 TC 59 Z9 59 U1 4 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 045705 DI 10.1103/PhysRevLett.96.045705 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600057 PM 16486848 ER PT J AU Ye, F Dai, PC Fernandez-Baca, JA Sha, H Lynn, JW Kawano-Furukawa, H Tomioka, Y Tokura, Y Zhang, JD AF Ye, F Dai, PC Fernandez-Baca, JA Sha, H Lynn, JW Kawano-Furukawa, H Tomioka, Y Tokura, Y Zhang, JD TI Evolution of spin-wave excitations in ferromagnetic metallic manganites SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETORESISTANCE; ZONE; DYNAMICS AB Neutron scattering results are presented for spin-wave excitations of three ferromagnetic metallic A(1-x)A(x)(')MnO(3) manganites (where A and A(') are rare- and alkaline-earth-metal ions), which when combined with previous work elucidate the systematics of the interactions as a function of carrier concentration x, on-site disorder, and strength of the lattice distortion. The long-wavelength spin dynamics show only a very weak dependence across the series. The ratio of fourth to first neighbor exchange (J(4)/J(1)) that controls the zone boundary magnon softening changes systematically with x, but does not depend on the other parameters. None of the prevailing models can account for these behaviors. C1 Oak Ridge Natl Lab, Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Florida Int Univ, Dept Phys, Miami, FL 33199 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Ochanomizu Univ, Dept Phys, Bunkyo Ku, Tokyo 1128610, Japan. CERC, Tsukuba, Ibaraki 3050046, Japan. Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. RP Ye, F (reprint author), Oak Ridge Natl Lab, Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. EM daip@ornl.gov RI Sha, Hao/D-8107-2011; Ye, Feng/B-3210-2010; Dai, Pengcheng /C-9171-2012; Tokura, Yoshinori/C-7352-2009; Fernandez-Baca, Jaime/C-3984-2014; Kawano-Furukawa, Hazuki/M-7695-2016; Kawano-Furukawa, Hazuki/M-7646-2016 OI Ye, Feng/0000-0001-7477-4648; Dai, Pengcheng /0000-0002-6088-3170; Fernandez-Baca, Jaime/0000-0001-9080-5096; Kawano-Furukawa, Hazuki/0000-0003-4713-3727; Kawano-Furukawa, Hazuki/0000-0003-4713-3727 NR 27 TC 33 Z9 33 U1 0 U2 5 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD FEB 3 PY 2006 VL 96 IS 4 AR 047204 DI 10.1103/PhysRevLett.96.047204 PG 4 WC Physics, Multidisciplinary SC Physics GA 009AN UT WOS:000235083600093 PM 16486884 ER PT J AU Alvarez, J Futrell, JH Laskin, J AF Alvarez, J Futrell, JH Laskin, J TI Soft-landing of peptides onto self-assembled monolayer surfaces SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID IONIZATION MASS-SPECTROMETRY; INDUCED DISSOCIATION; POLYATOMIC IONS; ENERGY-TRANSFER; THEORETICAL-ANALYSIS; PROTONATED PEPTIDES; PREPARATIVE SOFT; MOLECULAR-IONS; COLLISIONS; FRAGMENTATION AB Mass-selected peptide ions produced by electrospray ionization were deposited as ions by soft-landing (SL) onto fluorinated and hydrogenated self-assembled monolayer (FSAM and HSAM) surfaces using a Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) specially designed for studying collisions of large ions with surfaces. Analysis of modified surfaces was performed in situ by combining 2 keV Cs+ secondary ion mass spectrometry with FT-ICR detection of the sputtered ions (FT-ICR-SIMS). Similar SIMS spectra obtained following SL at different collision energies indicate that peptide fragmentation occurred in the analysis step (SIMS) rather than during ion deposition. The effect of the surface on SL was studied by comparing the efficiencies of SL on gold, FSAM, HSAM, and COOH-terminated SAM surfaces. It was found that FSAM surfaces are more efficient in retaining ions than their HSAM analogues, consistent with their larger polarizability. The efficiency of soft-landing of different peptides on the FSAM surface increases with the charge state of the ion, also consistent with an ion-polarizable molecule model for the initial stage of soft-landing on SAM surfaces. The gradual decrease of peptide ion deposition efficiency with an increase in collision energy found experimentally was quantitatively rationalized using the hard-cube model. C1 Pacific NW Natl Lab, Fundamental Sci Div, Fundamental Sci Directorate, Richland, WA 99352 USA. Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA. RP Laskin, J (reprint author), Pacific NW Natl Lab, Fundamental Sci Div, Fundamental Sci Directorate, POB 999 K8-88, Richland, WA 99352 USA. EM Julia.Laskin@pnl.gov RI Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 64 TC 49 Z9 49 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD FEB 2 PY 2006 VL 110 IS 4 BP 1678 EP 1687 DI 10.1021/jp0555044 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 010MF UT WOS:000235198100053 PM 16435832 ER PT J AU Garberoglio, G DeKlavon, MM Johnson, JK AF Garberoglio, G DeKlavon, MM Johnson, JK TI Quantum sieving in single-walled carbon nanotubes: Effect of interaction potential and rotational-translational coupling SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID PATH-INTEGRAL SIMULATIONS; PHYSICAL ADSORPTION; HYDROGEN; BUNDLES; GASES; PHASE; MOLECULES; ISOTOPES; XENON; H-2 AB The selective adsorption of heavy isotopes in narrow nanotubes, known as quantum sieving, is studied using a simple approximate theory for several different potential models. We address the reasons for wide disagreement among previously published results for quantum sieving. We analyze the sensitivity of quantum sieving to perturbations in the potential parameters used in the calculations. The selectivities are very sensitive to changes in the atomic diameter parameter and less sensitive to changes in the potential well depth. We present an approximate method for accounting for rotational-translational coupling that is computationally efficient and accurate for the narrowest nanotubes. For wide nanotubes, the estimation of rotational-transational coupling becomes inaccurate because of neglect of the effect of rotational states on the translational degrees of freedom. C1 Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15261 USA. RP Johnson, JK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013; OI Johnson, Karl/0000-0002-3608-8003; Garberoglio, Giovanni/0000-0002-9201-2716 NR 40 TC 37 Z9 37 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 2 PY 2006 VL 110 IS 4 BP 1733 EP 1741 DI 10.1021/jp054511p PG 9 WC Chemistry, Physical SC Chemistry GA 010MH UT WOS:000235198300039 PM 16471740 ER PT J AU Lu, T Goldfield, EM Gray, SK AF Lu, T Goldfield, EM Gray, SK TI Quantum states of hydrogen and its isotopes confined in single-walled carbon nanotubes: Dependence on interaction potential and extreme two-dimensional confinement SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MONTE-CARLO SIMULATIONS; MOLECULAR-HYDROGEN; ADSORPTION; DYNAMICS; H-2; SCATTERING AB Quantum mechanical energy levels are computed for the hydrogen molecule and its homonuclear isotopes confined within carbon nanotubes of various sizes and structures using three different interaction potentials. Two translational and two rotational degrees of freedom are treated explicitly. We study the dependence on the interaction potential and the size of the nanotube of several features, including zero-pressure quantum sieving selectivities, ortho-para energy splittings, and wave function characteristics. We show that large quantum sieving selectivities, as well as large deviations from gas phase ortho-para splittings, occur only under the condition of extreme two-dimensional confinement, when the characteristic length of the hydrogen-carbon interaction potential is nearly equal to the radius of the nanotube. C1 Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Goldfield, EM (reprint author), Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. EM tlu@chem.wayne.edu; evi@chem.wayne.edu; gray@tcg.anl.gov NR 27 TC 49 Z9 50 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 2 PY 2006 VL 110 IS 4 BP 1742 EP 1751 DI 10.1021/jp0545142 PG 10 WC Chemistry, Physical SC Chemistry GA 010MH UT WOS:000235198300040 PM 16471741 ER PT J AU Fisher, GL Szakal, C Wetteland, CJ Winograd, N AF Fisher, GL Szakal, C Wetteland, CJ Winograd, N TI TOF-SIMS evidence of intercalated molecular gases and diffusion-limited reaction kinetics in an alpha particle-irradiated PTFE matrix SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID RADIATION-CHEMISTRY; POLYTETRAFLUOROETHYLENE; POLYMERS; SURFACES; FLUOROPOLYMERS; POLYETHYLENE AB The chemical evolution of poly(tetrafluoroethylene) (PTFE) that is brought about by increasing levels of irradiation with a particles is accompanied by the emergence and proliferation of functionalized moieties. Families of reaction products specifically identified in the alpha-irradiated polymer matrix include hydride-, hydroxide-, and oxide-functionalized fluorocarbons. The data also indicate the emergence of hydrogen peroxide (H2O2) and hydrazine (N2H4), but no distinct evidence suggesting the formation of perfluorinated amines, amides, or cyanogens is found. In this article we substantiate the speciation of emergent species and reveal evidence of intercalated molecular gases with which alpha particle-generated radicals may react to form the observed products. Furthermore, we present evidence to suggest that the kinetics of alpha particle-induced reaction is limited by the diffusion of radicals within the polymer matrix. That is to say, chemical additives in the polymer matrix are shown to be scavengers of H-., 0(.), and F-. radicals and limit the rates of reaction that produce functionalized fluorocarbon moieties. Above a threshold dose of alpha particles, the concentration of radicals exceeds that of the scavenger species, and free radical diffusion commences as evidenced by a sudden increase in the yield of reaction products. Samples of PTFE were irradiated to alpha doses in the range of 10(7) to 5 x 10(10) rad with 5.5 MeV He-4(2+) ions from a tandem accelerator. Residual gas analysis (RGA) was utilized to monitor the liberation of molecular gases from PTFE during a particle irradiation of samples in vacuum. Static time-of-flight SIMS (TOF-SIMS), equipped with a 20 keV C-60(+) source, was employed to probe chemical changes as a function of alpha particle irradiation. Chemical images and high-resolution mass spectra were collected in both the positive and negative polarities. C1 Los Alamos Natl Lab, NMT 16, Los Alamos, NM 87545 USA. Penn State Univ, Dept Chem, University Pk, PA 16802 USA. Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. RP Fisher, GL (reprint author), Los Alamos Natl Lab, NMT 16, POB 1663, Los Alamos, NM 87545 USA. EM glfisher@lanl.gov NR 25 TC 5 Z9 5 U1 2 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD FEB 2 PY 2006 VL 110 IS 4 BP 1820 EP 1829 DI 10.1021/jp055402d PG 10 WC Chemistry, Physical SC Chemistry GA 010MH UT WOS:000235198300050 PM 16471751 ER PT J AU Speakman, SA Porter, WD Spurrier, MA Melcher, CL AF Speakman, SA Porter, WD Spurrier, MA Melcher, CL TI Thermal expansion and stability of cerium-doped Lu2SiO5 SO MATERIALS RESEARCH BULLETIN LA English DT Article DE optical materials; crystal growth; X-ray diffraction; thermal expansion; phase equilibria ID DIFFRACTION AB In-situ X-ray diffraction, differential scanning calorimetry and dilatometry were used to measure the thermal expansion and thermal stability of cerium-doped Lu2SiO5. The thermal expansion of Lu2SiO5 was highly anisotropic, with expansion along the b- and c-axes 5-10 times greater than expansion along the a-axis. There were no measurable differences in the thermal expansion between undoped Lu2SiO5, cerium-doped Lu2SiO5 with high scintillation efficiency, cerium-doped Lu2SiO5 with low scintillation efficiency and annealed cerium-doped Lu2SiO5. Lu2SiO5 decomposed at temperatures as low as 1350 degrees C in < 1 ppm O-2, while the presence of 100-150 ppm O-2 stabilized Lu2SiO5 at temperatures up to 1760 degrees C. No bulk defects were identified to account for th(e) difference between high scintillation efficiency and low scintillation efficiency cerium-doped Lu2SiO5 samples. Published by Elsevier Ltd. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. CTI Mol Imaging Inc, Knoxville, TN 37923 USA. RP Speakman, SA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM speakmansa@ornl.gov RI Melcher, Charles/E-9818-2012; OI Melcher, Charles/0000-0002-4586-4764; Koschan, Merry/0000-0002-8686-8657 NR 11 TC 9 Z9 9 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-5408 J9 MATER RES BULL JI Mater. Res. Bull. PD FEB 2 PY 2006 VL 41 IS 2 BP 423 EP 435 DI 10.1016/j.materresbull.2005.08.006 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 009ON UT WOS:000235121700025 ER PT J AU Austin, DW Allen, MS McCollum, JM Dar, RD Wilgus, JR Sayler, GS Samatova, NF Cox, CD Simpson, ML AF Austin, DW Allen, MS McCollum, JM Dar, RD Wilgus, JR Sayler, GS Samatova, NF Cox, CD Simpson, ML TI Gene network shaping of inherent noise spectra SO NATURE LA English DT Article ID EXACT STOCHASTIC SIMULATION; TRANSCRIPTIONAL REGULATION; ESCHERICHIA-COLI; SINGLE-CELL; EXPRESSION AB Recent work demonstrates that stochastic fluctuations in molecular populations have consequences for gene regulation(1-10). Previous experiments focused on noise sources or noise propagation through gene networks by measuring noise magnitudes. However, in theoretical analysis, we showed that noise frequency content is determined by the underlying gene circuits, leading to a mapping between gene circuit structure and the noise frequency range(11,12). An intriguing prediction from our previous studies was that negative autoregulation shifts noise to higher frequencies where it is more easily filtered out by gene networks(11) - a property that may contribute to the prevalence of autoregulation motifs ( for example, found in the regulation of similar to 40% of Escherichia coli genes). Here we measure noise frequency content in growing cultures of E. coli, and verify the link between gene circuit structure and noise spectra by demonstrating the negative autoregulation-mediated spectral shift. We further demonstrate that noise spectral measurements provide mechanistic insights into gene regulation, as perturbations of gene circuit parameters are discernible in the measured noise frequency ranges. These results suggest that noise spectral measurements could facilitate the discovery of novel regulatory relationships. C1 Oak Ridge Natl Lab, Mol Scale Engn & Nanoscale Technol Grp, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. RP Simpson, ML (reprint author), Oak Ridge Natl Lab, Mol Scale Engn & Nanoscale Technol Grp, Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM simpsonML1@ornl.gov RI Simpson, Michael/A-8410-2011; Cox, Chris/A-9451-2013 OI Simpson, Michael/0000-0002-3933-3457; Cox, Chris/0000-0001-9818-5477 NR 25 TC 163 Z9 166 U1 1 U2 19 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD FEB 2 PY 2006 VL 439 IS 7076 BP 608 EP 611 DI 10.1038/nature04194 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 008IO UT WOS:000235033900045 PM 16452980 ER PT J AU Thomas, BA Hill, RJ AF Thomas, BA Hill, RJ TI Comment on form-factor shape and extraction of vertical bar V-ub vertical bar from B ->pi lv SO PHYSICS LETTERS B LA English DT Article ID DECAYS; CONSTRAINTS; BOUNDS; HEAVY; QCD AB We point out that current experimental data for partial B -> pi lv branching fractions reduce the theoretical input required for a precise extraction of vertical bar V(ub)vertical bar to the form-factor normalization at a single value of the pion energy. We show that the heavy-quark expansion provides a bound on the form-factor shape that is orders of magnitude more stringent than conventional unitarity bounds. We find vertical bar V(ub)vertical bar = (3.7 +/- 0.2 +/- 0.1) x [0.8/F+(16 GeV2)]. The first error is from the experimental branching fractions, and the second is a conservative bound on the residual form-factor shape uncertainty, both of which will improve with additional data. Together with current and future lattice determinations of the form-factor normalization this result gives an accurate, model independent determination of vertical bar V(ub)vertical bar. We further extract semileptonic shape observables such as vertical bar VubF+(0)vertical bar = 0.92 +/- 0.11 +/- 0.03 and show how these observables can be used to test factorization and to determine low-energy parameters in hadronic B decays. (c) 2005 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Thomas, BA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM rjh@slac.stanford.edu NR 26 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD FEB 2 PY 2006 VL 633 IS 1 BP 61 EP 69 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 009GA UT WOS:000235098400011 ER PT J AU Tiampo, KF Anghel, M AF Tiampo, KF Anghel, M TI Critical point theory and space-time pattern formation in precursory seismicity SO TECTONOPHYSICS LA English DT Editorial Material C1 Univ Western Ontario, Dept Earth Sci, London, ON, Canada. Los Alamos Natl Lab, Los Alamos, NM USA. RP Tiampo, KF (reprint author), Univ Western Ontario, Dept Earth Sci, London, ON, Canada. EM ktiampo@uwo.ca; manghel@lanl.gov RI Tiampo, Kristy/I-1355-2015 OI Tiampo, Kristy/0000-0002-5500-7600 NR 0 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0040-1951 J9 TECTONOPHYSICS JI Tectonophysics PD FEB 2 PY 2006 VL 413 IS 1-2 BP 1 EP 3 DI 10.1016/j.tecto.2005.10.004 PG 3 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 011MU UT WOS:000235273200001 ER PT J AU Jedrzejczak, R Dauter, Z Dauter, M Piatek, R Zalewska, B Mroz, M Bury, K Nowicki, B Kur, J AF Jedrzejczak, R Dauter, Z Dauter, M Piatek, R Zalewska, B Mroz, M Bury, K Nowicki, B Kur, J TI Structure of DraD invasin from uropathogenic Escherichia coli: a dimer with swapped beta-tails SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID DRIVES FIBER FORMATION; MACROMOLECULAR STRUCTURES; STRUCTURE REFINEMENT; IMMUNOGLOBULIN FOLD; PROTEIN; ADHESIN; BIOGENESIS; FIMBRIAE; MODEL; ARCHITECTURE AB The dra gene cluster of uropathogenic strains of Escherichia coli produces proteins involved in bacterial attachment to and invasion of the eukaryotic host tissues. The crystal structure of a construct of E. coli DraD possessing an additional C-terminal extension of 13 amino acids, including a His(6) tag, has been solved at a resolution of 1.05 angstrom. The protein forms symmetric dimers through the exchange of the C-terminal beta-strands, which participate in the immunoglobulin-like beta-sandwich fold of each subunit. This structure confirms that DraD is able to act as an acceptor in the donor-strand complementation mechanism of fiber formation but, in contrast to DraE adhesin, its native sequence does not have a donor strand; therefore, DraD can only be located at the tip of the fiber. C1 Gdansk Tech Univ, Dept Microbiol, PL-80952 Gdansk, Poland. Univ Texas, Dept Obstet & Gynecol, Med Branch, Galveston, TX 77555 USA. NCI, Synchrotron Radiat Res Srn, MCL, Argonne Natl Lab, Argonne, IL 60439 USA. SAIC Frederick Inc, Basic Res Program, Argonne Natl Lab, Argonne, IL 60439 USA. RP Dauter, Z (reprint author), Gdansk Tech Univ, Dept Microbiol, Ul Narutowicza 11-12, PL-80952 Gdansk, Poland. EM dauter@anl.gov; kur@chem.pg.gda.pl FU Intramural NIH HHS; NCI NIH HHS [N01-CO-12400] NR 34 TC 27 Z9 27 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD FEB PY 2006 VL 62 BP 157 EP 164 DI 10.1107/S0907444905036947 PN 2 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 005AX UT WOS:000234795500006 PM 16421447 ER PT J AU Fandos, R Walter, MD AF Fandos, R Walter, MD TI Bis(mu-pyridinyl-1-oxide)-1 kappa O-1 : 2 kappa C-2; 1 kappa C-2 : 2 kappa O-1-bis[(eta(4)-cycloocta-1,5-diene)rhodium(I)] SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID COMPLEXES; CRYSTAL AB In the title compound, [Rh-2(C5H4N)(2)(C8H12)(2)], the two rhodium(I) centres are coordinated by one eta(4)-cycloocta-1,5diene ligand, and by a pyridinyl 1-oxide ortho-C atom from one bridging pyridinyl 1-oxide group and by a pyridinyl 1-oxide O atom from the other. The molecule has approximate C-2 symmetry, with the wpseudo-C-2 axis perpendicular to the Rh center dot center dot center dot Rh vector. C1 Univ Castilla La Mancha, Dept Quim Inorgan Organ & Bioquim, Fac Ciencias Med Ambiente, Toledo 45071, Spain. Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Walter, MD (reprint author), TU Kaiserslautern, FB Chem, Erwin Schrodinger Str, D-67063 Kaiserslautern, Germany. EM mwalter@rhrk.uni-kl.de RI Fandos, Rosa/J-9688-2014; Walter, Marc/E-4479-2012 OI Fandos, Rosa/0000-0001-6626-2140; NR 9 TC 3 Z9 3 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD FEB PY 2006 VL 62 BP M264 EP M266 DI 10.1107/S1600536806000523 PN 2 PG 3 WC Crystallography SC Crystallography GA 008IN UT WOS:000235033700039 ER PT J AU Josyula, R Jin, ZM McCombs, D DeLucas, L Sha, BD AF Josyula, R Jin, ZM McCombs, D DeLucas, L Sha, BD TI Preliminary crystallographic studies of yeast mitochondrial peripheral membrane protein Tim44p SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article ID PEPTIDE-BINDING DOMAIN; INNER MEMBRANE; ATPASE DOMAIN; IMPORT MOTOR; HSP70; TRANSLOCASE; MTHSP70; CHANNEL AB Protein translocations across mitochondrial membranes play critical roles in mitochondrion biogenesis. Protein transport from the cell cytosol to the mitochondrial matrix is carried out by the translocase of the outer membrane (TOM) complex and the translocase of the inner membrane (TIM) complexes. Tim44p is an essential mitochondrial peripheral membrane protein and a major component of the TIM23 translocon. To investigate the mechanism by which Tim44p functions in the TIM23 translocon to deliver the mitochondrial protein precursors, the yeast Tim44p was crystallized. The crystals diffract to 3.2 angstrom using a synchrotron X-ray source and belong to space group P6(3)22, with unit-cell parameters a = 124.25, c = 77.83 angstrom. There is one Tim44p molecule in one asymmetric unit, which corresponds to a solvent content of approximately 43%. Structure determination by MAD methods is under way. C1 Univ Alabama, Dept Cell Biol, Ctr Biophys Sci & Engn, Birmingham, AL 35294 USA. Argonne Natl Lab, SER, CAT, APS, Argonne, IL 60439 USA. RP Sha, BD (reprint author), Univ Alabama, Dept Cell Biol, Ctr Biophys Sci & Engn, Birmingham, AL 35294 USA. EM bdsha@uab.edu RI Josyula, Ratnakar/B-6020-2013 FU NIDDK NIH HHS [R01 DK056203, R01 DK56203]; NIGMS NIH HHS [R01 GM065959] NR 19 TC 1 Z9 1 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD FEB PY 2006 VL 62 BP 172 EP 174 DI 10.1107/S1744309106002053 PN 2 PG 3 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 017GD UT WOS:000235681200024 PM 16511294 ER PT J AU Diao, JK Gall, K Dunn, ML Zimmerman, JA AF Diao, JK Gall, K Dunn, ML Zimmerman, JA TI Atomistic simulations of the yielding of gold nanowires SO ACTA MATERIALIA LA English DT Article DE nanowire; yield; surface stress; Schmidt factor ID SURFACE-STRESS; FCC METALS; MECHANICAL DEFORMATION; QUANTIZED CONDUCTANCE; PHASE-TRANSFORMATION; ELASTIC PROPERTIES; RECONSTRUCTION; TRANSITION; PARTICLES; CRYSTALS AB We performed atomistic simulations to study the effect of free surfaces on the yielding of gold nanowires. Tensile surface stresses on the surfaces of the nanowires cause them to contract along the length with respect to the bulk face-centered cubic lattice and induce compressive stress in the interior. When the cross-sectional area of a < 100 > nanowire is less than 2.45 nm x 2.45 nm, the wire yields under its surface stresses. Under external forces and surface stresses, nanowires yield via the nucleation and propagation of the {111} < 112 > partial dislocations. The magnitudes of the tensile and compressive yield stress of < 100 > nanowires increase and decrease, respectively, with a decrease of the wire width. The magnitude of the tensile yield stress is much larger than that of the compressive yield stress for small < 100 > nanowires, while for small < 111 > nanowires, tensile and compressive yield stresses have similar magnitudes, The critical resolved shear stress (RSS) by external forces depends on wire width, orientation and loading condition (tension vs. compression). However, the critical RSS in the interior of the nanowires, which is exerted by both the external force and the surface-stress-induced compressive stress, does not change significantly with wire width for same orientation and same loading condition, and can thus serve as a '' local '' criterion. This local criterion is invoked to explain the observed size dependence of yield behavior and tensile/compressive yield stress asymmetry, considering surface stress effects and different slip systems active in tensile and compressive yielding. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Colorado, Dept Engn Mech, Boulder, CO 80309 USA. Sandia Natl Labs, Sci Based Mat Modeling Dept, Livermore, CA 94551 USA. RP Diao, JK (reprint author), Washington Univ, Dept Chem, 1 Brookings Dr, St Louis, MO 63130 USA. EM diao@colorado.edu RI Zimmerman, Jonathan/A-8019-2012; OI DUNN, MARTIN/0000-0002-4531-9176 NR 43 TC 150 Z9 154 U1 4 U2 43 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 3 BP 643 EP 653 DI 10.1016/j.actamat.2005.10.008 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013OM UT WOS:000235418600008 ER PT J AU Nyilas, K Misra, A Ungar, T AF Nyilas, K Misra, A Ungar, T TI Micro-strains in cold rolled Cu-Nb nanolayered composites determined by X-ray line profile analysis SO ACTA MATERIALIA LA English DT Article DE multilayers; interfaces; dislocations; X-ray diffraction (XRD) ID MULTILAYERS; METALS; SLIP AB X-ray line profile analysis was used to investigate micro-strains in sputter-deposited Cu-Nb nanolayered composites, with individual layer thickness of 75 nm, in the as-deposited and cold rolled conditions. The measured anisotropic line broadening in these strongly textured foils was interpreted in terms of dislocations. A very high dislocation density, of the order of 10(16) m(-2), was inferred from the X-ray data in the as-deposited foil. No significant change in dislocation density was noted after cold rolling to around 150% elongation in the rolling direction. Furthermore, the preferred orientation of the Burgers vectors, both before and after rolling, for the majority of the dislocations was parallel to the interface, The apparent lack of dislocation storage beyond the initial density after large plastic strains is discussed in terms of dislocation mechanisms. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Eotvos Lorand Univ, Dept Gen Phys, H-1518 Budapest, Hungary. Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Ungar, T (reprint author), Eotvos Lorand Univ, Dept Gen Phys, POB 32, H-1518 Budapest, Hungary. EM ungar@ludens.elte.hu RI Misra, Amit/H-1087-2012 NR 13 TC 15 Z9 15 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 3 BP 751 EP 755 DI 10.1016/j.actamat.2005.10.006 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013OM UT WOS:000235418600018 ER PT J AU Zhou, SH Napolitano, RE AF Zhou, SH Napolitano, RE TI Phase equilibria and thermodynamic limits for partitionless crystallization in the Al-La binary system SO ACTA MATERIALIA LA English DT Article DE phase equilibria; undercooled liquids; crystallization; metastable phases ID KAUZMANN PARADOX; SUPERCOOLED LIQUIDS; ASSOCIATION MODEL; GLASS-TRANSITION; MOLAR ENTHALPIES; ALLOYS; CE; PSEUDOPOTENTIALS; ND AB The thermodynamic properties and associated phase equilibria for the At-La binary system are examined by combining first-principles calculations with a solution thermodynamics approach. In this analysis, the liquid phase is described using a three-species association model. The AlLa, Al7La3-C-23. and low-temperature Al11La3-alpha phases are treated as stoichiometric compounds. All other phases are treated as solid solutions, where a single sublattice model is employed for terminal solids, and a two-sublattice model is employed for intermediate solids. The zero kelvin enthalpy of formation for each end-member phase is calculated from first principles. Model parameters are fitted using available experimental data, and the resulting phase diagram is reported over the full range of compositions in the binary system. Motivated by the potential thermodynamic implications related to the glass transition, particular attention is paid to the undercooled liquid. using a two-state model to describe the pure Al and La reference states. As an estimate of the partitionless limits for the crystallization process, the associated T-u (G(S) = G(L)) curves are determined and compared with reports of amorphous phase formation from the melt. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA USA. Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Napolitano, RE (reprint author), US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA USA. EM ralphn@iastate.edu NR 29 TC 21 Z9 23 U1 0 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 3 BP 831 EP 840 DI 10.1016/j.actamat.2005.10.013 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013OM UT WOS:000235418600026 ER PT J AU Nazarov, AA Enikeev, NA Romanov, AE Orlova, TS Alexandrov, IV Beyerlein, IJ Valiev, RZ AF Nazarov, AA Enikeev, NA Romanov, AE Orlova, TS Alexandrov, IV Beyerlein, IJ Valiev, RZ TI Analysis of substructure evolution during simple shear of polycrystals by means of a combined viscoplastic self-consistent and disclination modeling approach SO ACTA MATERIALIA LA English DT Article DE severe plastic deformation (SPD); grain refinement; disclinations; texture; polycrystal plasticity ID CHANNEL ANGULAR EXTRUSION; PLASTICALLY DEFORMED-CRYSTALS; TEXTURE DEVELOPMENT; DEFORMATION MICROSTRUCTURES; DISLOCATION DYNAMICS; GRAINED STRUCTURE; SIMULATION; ALLOYS; MISORIENTATIONS; CONFIGURATIONS AB Microstructure development during severe plastic deformation by simple shear is modeled using a disclination model for substructure formation incorporated into the viscoplastic self-consistent (VPSC) polycrystal model. The strain incompatibilities between a homogeneous effective medium and a grain calculated by the VPSC model are assumed to result in an accumulation of disclinations at junctions of the grain. These disclinations are then relaxed by the growth of low-angle dislocation boundaries from the junctions. These boundaries split the grain into smaller, misoriented volumes which with further deformation can lead to its subdivision into new grains. The evolution of misorientation angles between the newly formed grains and the parent with applied straining agrees reasonably well with experimental misorientation angle distributions for geometrically necessary boundaries. Accounting for subgrain boundaries and grain subdivision results in textures after large strains that are more diffuse and lower in intensity than those predicted using standard VPSC modeling. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Ufa State Aviat Tech Univ, Ufa 450000, Russia. AF Ioffe Phys Tech Inst, Russian Acad Sci, St Petersburg 194021, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nazarov, AA (reprint author), Ufa State Aviat Tech Univ, 12 Karl Marx St, Ufa 450000, Russia. EM aanazarov@mail.rb.ru RI Beyerlein, Irene/A-4676-2011; Orlova, Tatiana/E-5877-2014; OI Enikeev, Nariman/0000-0002-7503-8949 NR 48 TC 32 Z9 32 U1 1 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 4 BP 985 EP 995 DI 10.1016/j.actamat.2005.10.025 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013PM UT WOS:000235421300013 ER PT J AU Li, SY Gazder, AA Beyerlein, IJ Pereloma, EV Davies, CHJ AF Li, SY Gazder, AA Beyerlein, IJ Pereloma, EV Davies, CHJ TI Effect of processing route on microstructure and texture development in equal channel angular extrusion of interstitial-free steel SO ACTA MATERIALIA LA English DT Article DE microstructure; texture; severe plastic deformation; strain path change; slip mode ID LOW-CARBON STEEL; MECHANICAL-PROPERTIES; SIMPLE SHEAR; MODELING TEXTURE; BCC MATERIALS; IF STEEL; EVOLUTION; DEFORMATION; IRON; COPPER AB Microstructure and texture evolution in equal channel angular extrusion (ECAE) of interstitial-free (IF) steel is investigated for up to 4 passes via routes A, B-A, B-C and C. Observations by transmission electron microscopy reveal that the efficacy of grain refinement depends on both processing route and pass number. The preferred route is found to be route C after 2 passes but route B-C after 4 passes. Quantitative analysis of the experimental textures shows the development of {1101}< vuw >(0) and {hkl}(1 1 1)(0) partial fiber textures in all routes, but the orientation distribution along these fibers is more uniform in routes A and C than B-A and B-C. The experimental textures are well predicted using a visco-plastic self-consistent model based on the simple shear assumption of ECAE deformation. Finite element (FE) analysis and further texture simulations using the FE-predicted deformation history suggest that imperfect strain reversal is a main factor for the prevalence of shear-type textures and elongated lamellar substructure observed after the even-numbered passes of route C. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. Monash Univ, Dept Mat Engn, Clayton, Vic 3800, Australia. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Li, SY (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Mail Stop H805, Los Alamos, NM 87545 USA. EM saiyi@lanl.gov RI Davies, Chris/A-2391-2009; Li, Saiyi/J-3968-2012; Beyerlein, Irene/A-4676-2011 OI Davies, Chris/0000-0001-8910-7426; NR 27 TC 67 Z9 68 U1 0 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 4 BP 1087 EP 1100 DI 10.1016/j.actamat.2005.10.042 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013PM UT WOS:000235421300022 ER PT J AU Jiang, C Sordelet, DJ Gleeson, B AF Jiang, C Sordelet, DJ Gleeson, B TI Site preference of ternary alloying elements in Ni3Al: A first-principles study SO ACTA MATERIALIA LA English DT Article DE site preference; nickel aluminides; point defects; first-principle electron theory ID THERMAL POINT-DEFECTS; AUGMENTED-WAVE METHOD; OXIDATION BEHAVIOR; Y-IMPLANTATION; CR; FEAL; CONDUCTIVITY; ADDITIONS; VACANCIES; ENERGIES AB First-principles supercell calculations were performed to predict the site preference of Pt, Hf, Cr and Ir in L1(2) Ni3Al. Our calculations showed that, at T = 0 K Pt always prefers Ni sites, while Cr and Hf always prefer Al sites in Ni3Al. The site preference of Ir was found to be strongly composition-dependent: Ir prefers Ni sites in Al-rich and Al sites in Ni-rich Ni3Al, and shows no site preference in stoichiometric Ni3Al. The effects of temperature on site preference of ternary alloying elements were further studied using a statistical-mechanical Wagner-Schottky model in combination with our first-principles calculated point defect formation enthalpies. Our Calculations showed that the site preference of Ir is also strongly affected by temperature. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. RP Iowa State Univ, Dept Mat Sci & Engn, 3308 Gilman Hall, Ames, IA 50011 USA. EM chaoisu@iastate.edu RI Jiang, Chao/A-2546-2011 NR 40 TC 72 Z9 76 U1 3 U2 36 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD FEB PY 2006 VL 54 IS 4 BP 1147 EP 1154 DI 10.1016/j.actamat.2005.10.039 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 013PM UT WOS:000235421300027 ER PT J AU Xu, CL Chen, JF Cui, Y Han, QY Choo, H Liaw, PK Wu, DH AF Xu, CL Chen, JF Cui, Y Han, QY Choo, H Liaw, PK Wu, DH TI Influence of the surface treatment on the deposition of platinum nanoparticles on the carbon nanotubes SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID DOUBLE-LAYER CAPACITORS; HYDROGEN STORAGE; ROOM-TEMPERATURE; ELECTRODES; CONDUCTIVITY; COMPOSITES; MICROTUBULES; PERFORMANCE; FABRICATION; CATALYST C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Tsinghua Univ, Dept Mech Engn, Beijing 100084, Peoples R China. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Xu, CL (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM cxu2@utk.edu RI Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 NR 28 TC 48 Z9 48 U1 3 U2 17 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1438-1656 J9 ADV ENG MATER JI Adv. Eng. Mater. PD FEB PY 2006 VL 8 IS 1-2 BP 73 EP 77 DI 10.1002/adem.200500179 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 018SQ UT WOS:000235785500011 ER PT J AU Ward, AL Zhang, ZF Gee, GW AF Ward, AL Zhang, ZF Gee, GW TI Upscaling unsaturated hydraulic parameters for flow through heterogeneous anisotropic sediments SO ADVANCES IN WATER RESOURCES LA English DT Article ID STOCHASTIC-ANALYSIS; SOLUTE TRANSPORT; SPATIAL MOMENTS; POROUS-MEDIA; SOILS; MACRODISPERSION; CONDUCTIVITY; AQUIFERS; EQUATION; WATER AB We compare two methods for determining the upscaled water characteristics and saturation-dependent anisotropy in unsaturated hydraulic conductivity from a field-scale injection test. In both approaches an effective medium approximation is used to reduce a porous medium of M textures to an equivalent homogenous medium. The first approach is a phenomenological approach based on homogenization and assumes that moisture-based Richards' equation can be treated like the convective-dispersive equation (CDE). The gravity term, dK(z)(theta)/d(theta), analogous to the vertical convective velocity in the CDE, is determined from the temporal evolution of the plume centroid along the vertical coordinate allowing calculation of an upscaled K-z(theta). As with the dispersion tensor in the CDE, the rate of change of the second spatial moment in 3D space is used to calculate the water diffusivity tensor, D(theta), from which an upscaled K(theta) is calculated. The second approach uses the combined parameter scale inverse technique (CPSIT). Parameter scaling is used first to reduce the number of parameters to be estimated by a factor M. Upscaled parameters are then optimized by inverse modeling to produce an upscaled K(theta) characterized by a pore tortuosity-connectivity tensor, L. Parameters for individual textures are finally determined from the optimized parameters by inverse scaling using scale factors determined a priori. Both methods produced upscaled K(theta) that showed evidence of saturation dependent anisotropy. Flow predictions with the STOMP simulator, parameterized with upscaled parameters, were compared with field observations. Predictions based on the homogenization method were able to capture the mean plume behavior but could not reproduce the asymmetry caused by heterogeneity and lateral spreading, The CPSIT method captured the effects of heterogeneity and anisotropy and reduced the mean squared residual by nearly 90% compared to local-scale and upscaled parameters from the homogenization method. The Pacific Northwest National Laboratory is operated for the US Department of Energy by Battelle under Contract DE-AC05-76RL01830. (C) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Environm Technol Directorate, Hydrol Tech Grp, Richland, WA 99353 USA. RP Ward, AL (reprint author), Pacific NW Natl Lab, Environm Technol Directorate, Hydrol Tech Grp, Richland, WA 99353 USA. EM andy.ward@pnl.gov OI Zhang, Fred/0000-0001-8676-6426 NR 34 TC 25 Z9 25 U1 1 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD FEB PY 2006 VL 29 IS 2 BP 268 EP 280 DI 10.1016/j.advwatres.2005.02.013 PG 13 WC Water Resources SC Water Resources GA 998JE UT WOS:000234313800012 ER PT J AU Tompson, AFB Hudson, GB Smith, DK Hunt, JR AF Tompson, AFB Hudson, GB Smith, DK Hunt, JR TI Analysis of radionuclide migration through a 200-m vadose zone following a 16-year infiltration event SO ADVANCES IN WATER RESOURCES LA English DT Article DE vadose zone; radionuclide transport; isotopes; groundwater age; numerical simulation ID NEVADA TEST-SITE; TRITIUM; WATER; SOIL AB Atomic weapons testing at the Nevada Test Site has introduced many tracers for quantifying subsurface hydrologic transport processes in and climates. In 1975, groundwater adjacent to the CAMBRIC test, conducted beneath Frenchman Flat 10 years earlier, was pumped steadily for 16 years to elicit information on the migration of residual radioactivity through the saturated zone. Radionuclides in the pumping well effluent, including tritium, C-14, Cl-36, and Kr-85, were extensively monitored prior to its discharge in an unlined ditch, where approximately a third of the flow infiltrated over a distance of I km. Radionuclide infiltration through a 220-m thick vadose zone created a second, and rather unique long-term field experiment. Effluent data have been utilized in conjunction with geologic data, new radionuclide measurements, isotopic age-dating estimates, and vadose zone flow and transport models to better understand the movement of radionuclides between the ditch, the water table and a nearby groundwater monitoring well. Detection of tritium in the monitoring well occurred approximately 16 years after its initial discharge into the ditch. Modeling and tritium age dating have suggested 3-5 years of this 16-year transit time occurred solely in the vadose zone. They also suggest considerable recirculation of the pumping well discharge back into the original pumping well. Notably, there have been no observations of C-14 or Kr-85 in the monitoring well, suggesting their preferential retention or volatilization during transit to the water table. (C) 2005 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Div Environm Sci, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, Livermore, CA 94551 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Tompson, AFB (reprint author), Lawrence Livermore Natl Lab, Div Environm Sci, L-208,POB 808, Livermore, CA 94551 USA. EM afbt@llnl.gov NR 32 TC 8 Z9 8 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD FEB PY 2006 VL 29 IS 2 BP 281 EP 292 DI 10.1016/j.advwatres.2005.02.015 PG 12 WC Water Resources SC Water Resources GA 998JE UT WOS:000234313800013 ER PT J AU Eichinger, WE Cooper, DI Hipps, LE Kustas, WP Neale, CMU Prueger, JH AF Eichinger, WE Cooper, DI Hipps, LE Kustas, WP Neale, CMU Prueger, JH TI Spatial and temporal variation in evapotranspiration using Raman lidar SO ADVANCES IN WATER RESOURCES LA English DT Article DE evapotranspiration; soil moisture; remote sensing; lidar ID ATMOSPHERIC BOUNDARY-LAYER; WATER-VAPOR; MOISTURE FIELDS; SURFACE FLUXES; HEAT-FLUX; VARIABILITY; SCATTERING; FOOTPRINT; SCALES; MODEL AB The Los Alamos Raman lidar has been used to make high resolution (25 m) estimates of the evapotranspiration rate over adjacent corn and soybean canopies. The lidar makes three-dimensional measurements of the water vapor content of the atmosphere directly above the canopy that are inverted using Monin-Obukhov similarity theory. This may be used to examine the relationship between evapotranspiration and surface moisture/soil type. Lidar estimates of evapotranspiration reveal a high degree of spatial variability over corn and soybean fields that may be associated with small elevation changes in the area. The spatial structure of the variability is characterized using a structure function and correlation function approach. The power law relationship found by other investigators for soil moisture is not clear in the data for evapotranspiration, nor is the data a straight line over the measured lags. The magnitude of the structure function and the slope changes with time of day, with a probable connection to the amount of evapotranspiration and the spatial variability of the water vapor source. The data used was taken during the soil moisture-atmosphere coupling experiment (SMACEX) conducted in the Walnut Creek Watershed near Ames, Iowa in June and July 2002. (C) 2005 Elsevier Ltd. All rights reserved. C1 Univ Iowa, Iowa Inst Hydraul Res, Dept Civil & Environm Engn, Iowa City, IA 52242 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Utah State Univ, Dept Plants Soils & Biometeorol, Logan, UT 84322 USA. USDA, Hydrol & Remote Sensing Lab, Beltsville, MD 20705 USA. Utah State Univ, Dept Biol & Irrigat Engn, Logan, UT 84322 USA. USDA, Natl Soil Tilth Lab, Ames, IA USA. RP Eichinger, WE (reprint author), Univ Iowa, Iowa Inst Hydraul Res, Dept Civil & Environm Engn, 300 Riverside Dr, Iowa City, IA 52242 USA. EM william-eichinger@uiowa.edu RI Neale, Christopher/G-3860-2012; Neale, Christopher/P-3676-2015; OI Neale, Christopher/0000-0002-7199-6410; Neale, Christopher/0000-0002-7199-6410; Hipps, Lawrence/0000-0002-7658-8571 NR 34 TC 10 Z9 10 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 J9 ADV WATER RESOUR JI Adv. Water Resour. PD FEB PY 2006 VL 29 IS 2 BP 369 EP 381 DI 10.1016/j.advwatres.2005.03.023 PG 13 WC Water Resources SC Water Resources GA 998JE UT WOS:000234313800019 ER PT J AU Pang, Y Turpin, BJ Gundel, LA AF Pang, Y Turpin, BJ Gundel, LA TI On the importance of organic oxygen for understanding organic aerosol particles SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID UNITED-STATES; ATMOSPHERIC AEROSOLS; MASS; PM2.5; QUANTIFICATION; IDENTIFICATION; SOLUBILITY; EXHAUST; CLOSURE; MATTER AB This study shows how aerosol organic oxygen data could provide new information about organic aerosol mass, aqueous solubility of organic aerosols, formation of secondary organic aerosol (SOA) and the relative contributions of anthropogenic and biogenic sources. For more than two decades, atmospheric aerosol organic mass ( OM) concentration has been estimated by multiplying the measured carbon content by an assumed (OM)-to-organic carbon (OC) factor, usually 1.4. However, this factor can vary from 1.0 to 2.5 depending on location. This large uncertainty about aerosol organic mass limits our understanding of the influence of organic aerosol on climate, visibility and health. New examination of organic aerosol speciation data shows that the oxygen content is responsible for the observed range in the OM-to-OC factor. When organic oxygen content is excluded, the ratio of non-oxygen organic mass to carbon mass varies very little across different environments (1.12 to 1.14). The non-oxygen-OM-to-OC factor for all studied sites (urban and non-urban) averaged 1.13. The uncertainty becomes an order of magnitude smaller than the uncertainty in the best current estimates of organic mass to organic carbon ratios (1.6 +/- 0.2 for urban and 2.1 +/- 0.2 for non-urban areas). This analysis suggests that, when aerosol organic oxygen data become available, organic aerosol mass can be quite accurately estimated using just OC and organic oxygen (OO) without the need to know whether the aerosol is fresh or aged. In addition, aerosol organic oxygen data will aid prediction of water solubility since compounds with OO-to-OC higher than 0.4 have water solubilities higher than 1 g per 100 g water. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Rutgers State Univ, Dept Environm Sci, Piscataway, NJ 08855 USA. RP Calif Air Resources Board, El Monte, CA 91731 USA. EM ypang@arb.ca.gov RI Turpin, Barbara /D-8346-2012; Wang, Linden/M-6617-2014 NR 39 TC 45 Z9 46 U1 0 U2 12 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 0278-6826 EI 1521-7388 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD FEB PY 2006 VL 40 IS 2 BP 128 EP 133 DI 10.1080/02786820500423790 PG 6 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 017QT UT WOS:000235708800004 ER PT J AU Reck, RA Gaffney, JS Cook, DR AF Reck, RA Gaffney, JS Cook, DR TI Air-surface exchange research and related studies: A scientific tribute to Marvin L. Wesely SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE air-surface exchange; dry deposition; eddy-covariance; numerical modeling; satellite imagery; surface flux; turbulence ID GASEOUS DRY DEPOSITION; ESTIMATING WATERSHED EVAPOTRANSPIRATION; EDDY-CORRELATION MEASUREMENT; DIRECT SOLAR-RADIATION; EASTERN-UNITED-STATES; REACTIVE TRACE GASES; SATELLITE-OBSERVATIONS; BOUNDARY-LAYER; DECIDUOUS FOREST; REFRACTIVE-INDEX AB This article is a tribute to a departed colleague and friend, Dr. Marvin L. Wesely. A senior meteorologist at Argonne National Laboratory. Wesely died from a rare form of heart cancer on January 20, 2003. He had achieved national and international prominence in the areas of atmospheric surface layer turbulence, eddy-covariance measurement, and analysis techniques, and dry deposition of air pollutants. With colleagues, he contributed to the development of methodologies for formulating dry deposition processes in atmospheric and biospheric models that are now in standard use worldwide. His research in this field was supported by the U.S. Department of Energy for 30 years. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. RP Reck, RA (reprint author), Univ Calif Davis, Dept Land Air & Water Resources, 125 Hoagland Hall, Davis, CA 95616 USA. EM rareck@ucdavis.edu NR 95 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD FEB 1 PY 2006 VL 136 IS 3-4 BP 93 EP 100 DI 10.1016/j.agrformet.2004.11.010 PG 8 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 045MA UT WOS:000237745000002 ER PT J AU Pekour, MS Wesely, ML Cook, DR Martin, TJ AF Pekour, MS Wesely, ML Cook, DR Martin, TJ TI A study of the recursive filter for computing scalar eddy covariances SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE eddy covariance; recursive filtering; atmospheric turbulent fluxes ID FREQUENCY-RESPONSE CORRECTIONS; FLUXES; CARBON; SYSTEMS AB Values Of turbulent fluxes in the atmospheric Surface layer obtained with block averaging and with recursive filtering showed consistent differences during a 4-day experiment conducted over grassland in central Kansas. Analysis of the direct and indirect impacts of recursive filtering on the calculated fluxes showed that flux values can be affected significantly by mismatched filtering in different channels. unsuitable filter initialization, a Poor choice of coordinate rotation technique, or a combination of these. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. RP Pekour, MS (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. EM mikhail.pekour@pnl.gov NR 12 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD FEB 1 PY 2006 VL 136 IS 3-4 BP 101 EP 107 DI 10.1016/j.agrformet.2004.12.011 PG 7 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 045MA UT WOS:000237745000003 ER PT J AU Cooper, DI Leclerc, MY Archuleta, J Coulter, R Eichinger, WE Kao, CYJ Nappo, CJ AF Cooper, D. I. Leclerc, M. Y. Archuleta, J. Coulter, R. Eichinger, W. E. Kao, C. Y. J. Nappo, C. J. TI Mass exchange in the stable boundary layer by coherent structures SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE lidar; stable boundary layer; turbulence; intermittency; waves; wave-turbulence interactions; nocturnal surface-atmosphere exchange; wave and atmospheric gaseous exchange ID INTERNAL GRAVITY-WAVES; LOW-LEVEL JET; WATER-VAPOR; SOLITARY WAVES; SURFACE-LAYER; TURBULENCE; LIDAR; INSTABILITIES; CONVECTION; ATMOSPHERE AB Observations of multi-dimensional water vapor structures in the first 75 m of the stable boundary layer (SBL) were made using a high resolution scanning Raman lidar in October 2000 during the Vertical Transport and Mixing Experiment (VTMX). Lidar images reveal the intermittent presence of plumes and low-frequency structures contributing to much of the nocturnal surface- atmosphere mass exchange. Furthermore, periodic wave-turbulence interactions between solitary waves aloft and coherent structures at the surface were observed. Results show that when low-level waveguides are present in the SBL, downward transport by pressure fluctuations arising from Kelvin-Helmholz instabilities hundreds of meters above the surface appears to pump energy near the surface thereby supporting the development of coherent structures. These structures have a vertical extent determined by the depth of the low-level waveguide inversion. The present results suggest that, in certain nocturnal conditions, coherent structures can transport more than a third of the mass exchanged between the surface and the lowest region of the stable atmospheric boundary layer. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Georgia, Griffin, GA 30223 USA. Univ Iowa, Iowa City, IA 52242 USA. Argonne Natl Lab, Argonne, IL 60439 USA. NOAA, ATDD, Oak Ridge, TN 37830 USA. RP Cooper, DI (reprint author), Los Alamos Natl Lab, MS J577, Los Alamos, NM 87545 USA. EM Dcooper@lanl.gov NR 52 TC 8 Z9 8 U1 2 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 EI 1873-2240 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD FEB 1 PY 2006 VL 136 IS 3-4 BP 114 EP 131 DI 10.1016/j.agrformet.2004.12.012 PG 18 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 045MA UT WOS:000237745000005 ER PT J AU Coulter, RL Pekour, MS Cook, DR Klazura, GE Martin, TJ Lucas, JD AF Coulter, RL Pekour, MS Cook, DR Klazura, GE Martin, TJ Lucas, JD TI Surface energy and carbon dioxide fluxes above different vegetation types within ABLE SO AGRICULTURAL AND FOREST METEOROLOGY LA English DT Article DE carbon; carbon dioxide; surface energy; eddy flux ID WATER-VAPOR AB Nineteen months of continuous data from two sites within the atmospheric boundary layer experiments (ABLE) facility are used to compare surface energy fluxes, carbon dioxide fluxes and controlling parameters. One site, which has been monitored continuously since 1997, is rangeland, with a mixture of C3 and C4 grasses. The other site is active cropland that was planted in sorghum for the first growing season of the observation period and in winter wheat for the second. The uptake of carbon dioxide was well-defined within the respective growing seasons, with peak uptake rates for sorghum being greater by almost a factor of 2 than those for wheat and ran-eland. The longer growing season for rangeland almost countered this effect. Net production of carbon dioxide occurred at both sites at the beginning and end of the growing seasons because of root growth respiration and enhanced decay of tilled soil. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. RP Coulter, RL (reprint author), Argonne Natl Lab, Div Environm Res, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rlcoulter@anl.gov NR 11 TC 20 Z9 21 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-1923 J9 AGR FOREST METEOROL JI Agric. For. Meteorol. PD FEB 1 PY 2006 VL 136 IS 3-4 BP 147 EP 158 DI 10.1016/j.agrformet.2004.11.011 PG 12 WC Agronomy; Forestry; Meteorology & Atmospheric Sciences SC Agriculture; Forestry; Meteorology & Atmospheric Sciences GA 045MA UT WOS:000237745000007 ER PT J AU Kwong, KS Bennett, J Krabbe, R Thomas, H Powell, C AF Kwong, KS Bennett, J Krabbe, R Thomas, H Powell, C TI Engineered refractories for slagging gasifiers SO AMERICAN CERAMIC SOCIETY BULLETIN LA English DT Article AB Successful field trials in commercial slagging gasifier systems have been made of improved refractory materials engineered specifically for longer service life in this application. C1 Albany Res Ctr, DOE NETL, Albany, OR 97321 USA. RP Kwong, KS (reprint author), Albany Res Ctr, DOE NETL, Albany, OR 97321 USA. NR 0 TC 4 Z9 4 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, STE 100, WESTERVILLE, OH 43081 USA SN 0002-7812 J9 AM CERAM SOC BULL JI Am. Ceram. Soc. Bull. PD FEB PY 2006 VL 85 IS 2 BP 17 EP 20 PG 4 WC Materials Science, Ceramics SC Materials Science GA 012PV UT WOS:000235352400038 ER PT J AU Mankani, MH Kuznetsov, SA Shannon, B Nalla, RK Ritchie, RO Qin, YX Robey, PG AF Mankani, MH Kuznetsov, SA Shannon, B Nalla, RK Ritchie, RO Qin, YX Robey, PG TI Canine cranial reconstruction using autologous bone marrow stromal cells SO AMERICAN JOURNAL OF PATHOLOGY LA English DT Article ID MESENCHYMAL STEM-CELLS; IN-VIVO; TRICALCIUM PHOSPHATE; CANCELLOUS BONE; OSTEOGENESIS; INVIVO; HYDROXYAPATITE; REGENERATION; FIBROBLASTS; DEFECTS AB Limited-sized transplants of culture-expanded autologous or allogeneic bone marrow stromal cells (BMSCs) form cortico-cancellous bone in rodent models. Initiation of clinical studies using autologous; BMSC transplantation requires effective bone formation among sizable transplants in a large animal model as well as noninvasive techniques for evaluating transplant success. Here, we obtained bone marrow from the femurs of six dogs and expanded BMSCs in tissue culture. Autologous BMSC-hydroxyapatite/tricalcium. phosphate (HA/TCP) transplants were introduced into critical-sized calvarial defects and contralateral control skull defects received HA/TCP vehicle alone. At intervals ranging from 2 to 20 months, transplants were biopsied or harvested for histological and mechanical analysis. Noninvasive studies, including quantitative computed tomography scans and ultrasound, were simultaneously obtained. In all animals, BMSC-containing transplants formed significantly more bone than their control counterparts. BMSC-associated bone possessed mechanical properties similar to the adjacent normal bone, confirmed by both ultrasound and ex vivo analysis. Evaluation by quantitative computed tomography confirmed that the extent of bone formation demonstrated by histology could be discerned through noninvasive means. These results show that autologous; cultured BMSC transplantation is a feasible therapy in clinicalsized bone defects and that such transplants can be assessed noninvasively, suggesting that this technique has potential for use in patients with certain bone defects. C1 Univ Calif San Francisco, Dept Surg, Div Plast Surg, San Francisco, CA 94143 USA. Natl Inst Dent & Craniofacial Res, Craniofacial & Skeletal Dis Branch, NIH, Bethesda, MD USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. SUNY Stony Brook, Dept Biomed Engn, Stony Brook, NY 11794 USA. RP Mankani, MH (reprint author), Univ Calif San Francisco, Dept Surg, Div Plast Surg, 1001 Portrero Ave,Box 0807, San Francisco, CA 94143 USA. EM mmankani@sfghsurg.ucsf.edu RI Ritchie, Robert/A-8066-2008; Robey, Pamela/H-1429-2011 OI Ritchie, Robert/0000-0002-0501-6998; Robey, Pamela/0000-0002-5316-5576 FU Intramural NIH HHS; NIDCR NIH HHS [R01 DE015633] NR 32 TC 54 Z9 60 U1 0 U2 3 PU AMER SOC INVESTIGATIVE PATHOLOGY, INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3993 USA SN 0002-9440 J9 AM J PATHOL JI Am. J. Pathol. PD FEB PY 2006 VL 168 IS 2 BP 542 EP 550 DI 10.2353/ajpath.2006.050407 PG 9 WC Pathology SC Pathology GA 009OV UT WOS:000235122600018 PM 16436668 ER PT J AU Reusser, L Bierman, P Pavich, M Larsen, J Finkel, R AF Reusser, L Bierman, P Pavich, M Larsen, J Finkel, R TI An episode of rapid bedrock channel incision during the last glacial cycle, measured with Be-10 SO AMERICAN JOURNAL OF SCIENCE LA English DT Article ID STRATH-TERRACE FORMATION; ATLANTIC PASSIVE-MARGIN; SUSQUEHANNA RIVER; NORTH-ATLANTIC; SEA-LEVEL; ATMOSPHERIC CIRCULATION; COSMOGENIC NUCLIDES; EROSION MODELS; UNITED-STATES; EVOLUTION AB We use Be-10 to infer when, how fast, and why the Susquehanna River incised through bedrock along the U.S. Atlantic seaboard, one of the world's most prominent and ancient passive margins. Although the rate at which large rivers incise rock is a fundamental control on the development of landscapes, relatively few studies have directly measured how quickly such incision occurs either in tectonically active environments or along passive margins. Exposure ages of fluvially carved, bedrock strath. terraces, preserved along the lower Susquehanna River, demonstrate that even along a passive margin, large rivers are capable of incising through rock for short periods of time at rates approaching those recorded in tectonically active regions, such as the Himalayas. Over eighty samples, collected along and between three prominent levels of strath terraces within Holtwood Gorge, indicate that the Susquehanna River incised more than 10 meters into the Appalachian Piedmont during the last glacial cycle. Beginning similar to 36 ka, incision rates increased dramatically, and remained elevated until similar to 14 ka. The northern half of the Susquehanna basin was glaciated during the late Wisconsinan; however, similar rates and timing of incision occurred in the unglaciated Potomac River basin immediately to the south. The concurrence of incision periods on both rivers suggests that glaciation and associated meltwater were not the primary drivers of incision. Instead, it appears that changing climatic conditions during the late Pleistocene promoted an increase in the frequency and magnitude of flood events capable of exceeding thresholds for rock detachment and bedrock erosion, thus enabling a short-lived episode of rapid incision into rock. Although this study has constrained the timing and rate of bedrock incision along the largest river draining the Atlantic passive margin, the dates alone cannot explain fully why, or by what processes, this incision occurred. However, cosmogenic dating offers compelling evidence that episodes of rapid incision into bedrock are tied to glacial cycles and changes in global climate. These results, and the methods we employ, provide valuable insights into the nature of bedrock channel incision, not only along the Susquehanna River and passive margins, but also across a wide range of settings around the globe. Because river incision into bedrock transmits the effects of changing climate and tectonics through fluvial networks to hillslopes, comprehending when, where, and why rivers incise has important implications for the evolution of landscapes. C1 Univ Vermont, Dept Geol, Burlington, VT 05405 USA. Univ Vermont, Sch Nat Resources, Burlington, VT 05405 USA. US Geol Survey, Natl Ctr, Reston, VA 20192 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Reusser, L (reprint author), Univ Vermont, Dept Geol, Burlington, VT 05405 USA. EM lreusser@uvm.edu NR 95 TC 14 Z9 14 U1 2 U2 9 PU AMERICAN JOURNAL OF SCIENCE PI NEW HAVEN PA YALE UNIV, PO BOX 208109, NEW HAVEN, CT 06520-8109 USA SN 0002-9599 J9 AM J SCI JI Am. J. Sci. PD FEB PY 2006 VL 306 IS 2 BP 69 EP 102 DI 10.2475/ajs.306.2.69 PG 34 WC Geosciences, Multidisciplinary SC Geology GA 048FP UT WOS:000237933300001 ER PT J AU Lee, Y Hriljac, JA Parise, JB Vogt, T AF Lee, Y Hriljac, JA Parise, JB Vogt, T TI Pressure-induced hydration in zeolite tetranatrolite SO AMERICAN MINERALOGIST LA English DT Article DE crystal structure; high pressure; phase transition; tetranatrolite; paranatrolite; synchrotron X-ray powder diffraction; pressure-induced hydration ID CRYSTAL-STRUCTURE; NATROLITE-GROUP; ORDER-DISORDER; SAINT-HILAIRE; PARANATROLITE; DIFFRACTION; GONNARDITE; REFINEMENT AB The tetranatrolite-paranatrolite transformation has remained a key problem in understanding the paragenesis of zeolites in the natrolite family. It is accepted that when paranatrolite, approximate formula Na(16-x)Ca(x)Al(16+x)Si(24-x)O(80)(.)24H(2)O, is removed from an aqueous environment and exposed to the atmosphere, it loses water and transforms to tetranatrolite, Na(16-x)Ca(x)Al(16+x)Si(24-x)O(80)(.)nH(2)O (n <= 24). Here we show that this transformation is not only reversible, but that tetranatrolite exhibits two sequential pressure-induced hydrations leading first to paranatrolite and then to a superhydrated tetranatrolite above 0.2 and 3.0 CiPa, respectively. We have previously reported similar behavior for the corresponding system with an ordered Si/Al distribution, i.e., natrolite itself, however the ordered version of paranatrolite exists over it Much Smaller pressure range. The pressure-induced transform at ions of natrolite and tetranatrolite thus further supports the supposition that paranatrolite is it distinct mineral species, with a pressure-stability field dependent upon composition. C1 Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. RP Lee, Y (reprint author), Yonsei Univ, Dept Earth Syst Sci, Seoul 120749, South Korea. EM yongjaelee@yonsei.ac.kr RI Vogt, Thomas /A-1562-2011; Lee, Yongjae/K-6566-2016 OI Vogt, Thomas /0000-0002-4731-2787; NR 25 TC 14 Z9 15 U1 3 U2 8 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD FEB-MAR PY 2006 VL 91 IS 2-3 BP 247 EP 251 DI 10.2138/am.2006.1847 PG 5 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 014IB UT WOS:000235472000002 ER PT J AU Jackson, B Harper, S Smith, L Flinn, J AF Jackson, B Harper, S Smith, L Flinn, J TI Elemental mapping and quantitative analysis of Cu, Zn, and Fe in rat brain sections by laser ablation ICP-MS SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article; Proceedings Paper CT 5th Mediterranean Basin Conference on Analytical Chemistry CY MAY 24-28, 2005 CL Teramo, ITALY DE laser ablation ICP-MS; rat brain sections; elemental imaging ID PLASMA-MASS SPECTROMETRY; ALZHEIMERS-DISEASE; THIN-SECTION; ZINC; COPPER; IRON; TISSUE; HIPPOCAMPUS; PHOSPHORUS; MICROSCOPY AB This report details the application of laser ablation quadrupole ICP-MS for the (multi) elemental mapping of 100-mu m-thick sections of rat brain. The laser spot size used was 60 mu m, and the laser scan speed was 120 mu m s(-1). The analysis was relatively rapid, allowing mapping of a whole brain thin section (approximate to 1 cm(2)) in about 2 h. Furthermore, the method was amenable to multi-element data collection including the physiologically important elements P and S and afforded sub mu g g(-1) detection limits for the important trace elements Cu and Zn. Calibrations were performed with pressed pellets of biological certified reference materials, and the elemental distributions and concentrations of Cu, Zn, and Fe were determined in whole rat brain sections. The distributions and concentration ranges for these elements were consistent with previous studies and demonstrate the utility of this technique for rapid mapping of brain thin sections. C1 Dartmouth Coll, Dept Earth Sci, Hanover, NH 03755 USA. Dartmouth Coll, Dept Chem, Hanover, NH 03755 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. George Mason Univ, Dept Psychol, Fairfax, VA 22030 USA. RP Jackson, B (reprint author), Dartmouth Coll, Dept Earth Sci, Hanover, NH 03755 USA. EM Brian.P.Jackson@dartmouth.edu OI Smith, Laura/0000-0003-3687-3148 FU NIEHS NIH HHS [P42 ES07373] NR 30 TC 70 Z9 70 U1 3 U2 29 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD FEB PY 2006 VL 384 IS 4 BP 951 EP 957 DI 10.1007/s00216-005-0264-6 PG 7 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 022CE UT WOS:000236031500014 PM 16402172 ER PT J AU Liu, GD Lin, YH AF Liu, GD Lin, YH TI Biosensor based on self-assembling acetylcholinesterase on carbon nanotubes for flow injection/amperometric detection of organophosphate pesticides and nerve agents SO ANALYTICAL CHEMISTRY LA English DT Article ID LAYER-BY-LAYER; COBALT PHTHALOCYANINE; ELECTROCHEMICAL BIOSENSORS; MODIFIED ELECTRODES; CLAY NANOPARTICLES; ENZYME SENSORS; HYDROLASE; GRAPHITE; FILMS; CHOLINESTERASE AB A highly sensitive flow injection amperometric biosensor for organophosphate pesticides and nerve agents based on self-assembled acetylcholinesterase (AChE) on a carbon nanotube (CNT)-modified glassy carbon (GC) electrode is described. AChE is immobilized on the negatively charged CNT surface by alternatively assembling a cationic poly(diallyldimethylammonium chloride) (PDDA) layer and an AChE layer. Transmission electron microscopy images confirm the formation of layer-by-layer nanostructures on carboxyl-functionalized CNTs. Fourier transform infrared reflectance spectrum indicates the AChE was immobilized successfully on the CNT/PDDA surface. The unique sandwich-like structure (PDDA/AChE/PDDA) on the CNT surface formed by self-assembling provides a favorable microenviromnent to keep the bioactivity of AChE. The electrocatalytic activity of CNT leads to a greatly improved electrochemical detection of the enzymatically generated thiocholine product, including a low oxidation overvoltage (+150 mV), higher sensitivity, and stability. The developed PDDA/AChE/PDDA/CNT/GC biosensor integrated into a flow injection system was used to monitor organophosphate pesticides and nerve agents, such as paraoxon. The sensor performance, including inhibition time and regeneration conditions, was optimized with respect to operating conditions. Under the optimal conditions, the biosensor was used to measure as low as 0.4 pM paraoxon with a 6-min inhibition time. The biosensor had excellent operational lifetime stability with no decrease in the activity of enzymes for more than 20 repeated measurements over a 1-week period. The developed biosensor system is an ideal tool for online monitoring of organophosphate pesticides and nerve agents. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 48 TC 285 Z9 294 U1 13 U2 142 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD FEB 1 PY 2006 VL 78 IS 3 BP 835 EP 843 DI 10.1021/ac051559q PG 9 WC Chemistry, Analytical SC Chemistry GA 010LC UT WOS:000235195200040 PM 16448058 ER PT J AU Tomasi, D Chang, L Caparelli, ED Telang, F Ernst, T AF Tomasi, D Chang, L Caparelli, ED Telang, F Ernst, T TI The human immunodeficiency virus reduces network capacity: Acoustic noise effect SO ANNALS OF NEUROLOGY LA English DT Article ID WORKING-MEMORY; METABOLITE CONCENTRATIONS; ABSOLUTE QUANTITATION; BRAIN ACTIVATION; HIV PATIENTS; ATTENTION; DEMENTIA; WATER; FMRI AB Objective: Increased acoustic noise (AN) during working memory leads to increased brain activation in healthy individuals and may have greater impact in human immunodeficiency virus (HIV) patients. Results: Compared with control subjects, HIV patients showed reduced AN activation and lower neuronal marker N-acetylaspartate in prefrontal and parietal cortices. Competing use of the working memory network between AN and cognitive load showed lower dynamic range of the hemodynamic responses in prefrontal and parietal cortices in HIV patients. Interpretation: These findings suggest that reduced reserve capacity of the working memory network in HIV patients and additional stress (eg, AN) might exhaust the impaired network for more demanding tasks. C1 Brookhaven Natl Lab, Med Dept, Upton, NY 11973 USA. Univ Hawaii, John A Burns Sch Med, Dept Med, Honolulu, HI USA. RP Tomasi, D (reprint author), Brookhaven Natl Lab, Med Dept, Bldg 490,30 Bell Ave, Upton, NY 11973 USA. EM tomasi@bnl.gov RI Tomasi, Dardo/J-2127-2015 FU NCRR NIH HHS [5-M01-RR-10710, M01 RR010710, M01 RR010710-06S1]; NIDA NIH HHS [K02 DA016991, K02 DA16991, K24 DA016170, K24 DA16170, R03 DA017070, R03 DA017070-01] NR 20 TC 17 Z9 18 U1 1 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0364-5134 J9 ANN NEUROL JI Ann. Neurol. PD FEB PY 2006 VL 59 IS 2 BP 419 EP 423 DI 10.1002/aila.20766 PG 5 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA 010UW UT WOS:000235224400030 PM 16437575 ER PT J AU Zhang, WW Culley, DE Scholten, JCM Hogan, M Vitiritti, L Brockman, FJ AF Zhang, Weiwen Culley, David E. Scholten, Johannes C. M. Hogan, Mike Vitiritti, Luigi Brockman, Fred J. TI Global transcriptomic analysis of Desulfovibrio vulgaris on different electron donors SO ANTONIE VAN LEEUWENHOEK INTERNATIONAL JOURNAL OF GENERAL AND MOLECULAR MICROBIOLOGY LA English DT Article DE Desulfovibrio vulgaris; electron donors; microarray ID GENE-EXPRESSION ANALYSIS; ESCHERICHIA-COLI; SUCCINATE-DEHYDROGENASE; METHANOSARCINA-BARKERI; NUCLEOTIDE-SEQUENCE; ECH HYDROGENASE; HILDENBOROUGH; REDUCTASE; OPERON; IDENTIFICATION AB Whole-genome microarrays of Desulfovibrio vulgaris were used to determine relative transcript levels in cells grown to exponential or stationary phase on a medium containing either lactate or formate as electron donor. The results showed that 158 and 477 genes were differentially expressed when comparing exponential to stationary phase in lactate- or formate-based media, respectively; and 505 and 355 genes were responsive to the electron donor used at exponential or stationary phase, respectively. Functional analyses suggested that the differentially regulated genes were involved in almost every aspect of cellular metabolism, with genes involved in protein synthesis, carbon, and energy metabolism being the most regulated. The results suggested that HynBA-1 might function as a primary periplasmic hydrogenase responsible for oxidation of H-2 linked to the proton gradient in lactate-based medium, while several periplasmic hydrogenases including HynBA-1 and Hyd might carry out this role in formate-based medium. The results also indicated that the alcohol dehydrogenase and heterodisulfide reductase catalyzed pathway for proton gradient formation might be actively functioning for ATP synthesis in D. vulgaris. In addition, hierarchical clustering analysis using expression data across different electron donors and growth phases allowed the identification of the common electron donor independent changes in gene expression specifically associated with the exponential to stationary phase transition, and those specifically associated with the different electron donors independent of growth phase. The study provides the first global description and functional interpretation of transcriptomic response to growth phase and electron donor in D. vulgaris. C1 Pacific NW Natl Lab, Dept Microbiol, Richland, WA 99352 USA. NimbleGen Syst Inc, Madison, WI 53711 USA. RP Zhang, WW (reprint author), Pacific NW Natl Lab, Dept Microbiol, 902 Battelle Blvd,999, Richland, WA 99352 USA. EM Weiwen.Zhang@pnl.gov NR 37 TC 35 Z9 35 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0003-6072 J9 ANTON LEEUW INT J G JI Antonie Van Leeuwenhoek PD FEB PY 2006 VL 89 IS 2 BP 221 EP 237 DI 10.1007/s10482-005-9024-z PG 17 WC Microbiology SC Microbiology GA 044GQ UT WOS:000237660800002 PM 16710634 ER PT J AU Clavijo, RI Loui, C Andersen, GL Riley, LW Lu, SW AF Clavijo, RI Loui, C Andersen, GL Riley, LW Lu, SW TI Identification of genes associated with survival of Salmonella enterica serovar Enteritidis in chicken egg albumen SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID COMPLETE GENOME SEQUENCE; ESCHERICHIA-COLI K-12; III SECRETION; PROLINE TRANSPORT; NEEDLE COMPLEX; ANTIMICROBIAL ACTIVITY; BACILLUS-SUBTILIS; TYPHI STRAINS; UNITED-STATES; TYPHIMURIUM AB Salmonella enterica consists of over 2,000 serovars that are major causes of morbidity and mortality associated with contaminated food. Despite similarities among serovars of Salmonella enterica, many demonstrate unique host specificities, epidemiological characteristics, and clinical manifestations. One of the unique epidemiological characteristics of the serovar Enteritidis is that it is the only bacterium routinely transmitted to humans through intact chicken eggs. Therefore, Salmonella enterica serovar Enteritidis must be able to persist inside chicken eggs to be transmitted to humans, and its survival in egg is important for its transmission to the human population. The ability of Salmonella enterica serovar Enteritidis to survive in and transmit through eggs may have contributed to its drastically increased prevalence in the 1980s and 1990s. In the present study, using transposon-mediated mutagenesis, we have identified genes important for the association of Salmonella enterica serovar Enteritidis with chicken eggs. Our results indicate that genes involved in cell wall structural and functional integrity, and nucleic acid and amino acid metabolism are important for Salmonella enterica serovar Enteritidis to persist in egg albumen. Two regions unique to Salmonella enterica serovar Enteritidis were also identified, one of which enhanced the survival of a Salmonella enterica serovar Typhimurium isolate in egg albumen. The implication of our results to the serovar specificity of Salmonella enterica is also explored in the present study. C1 Univ Calif Berkeley, Program Infect Dis & Immun, Sch Publ Hlth, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA USA. RP Lu, SW (reprint author), Univ Calif Berkeley, Program Infect Dis & Immun, Sch Publ Hlth, 140 Warren Hall, Berkeley, CA 94720 USA. EM sangwei@berkeley.edu RI Andersen, Gary/G-2792-2015 OI Andersen, Gary/0000-0002-1618-9827 NR 63 TC 58 Z9 60 U1 0 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2006 VL 72 IS 2 BP 1055 EP 1064 DI 10.1128/AEM.72.2.1055-1064.2006 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 012QC UT WOS:000235353100012 PM 16461649 ER PT J AU Williams, TJ Zhang, CL Scott, JH Bazylinski, DA AF Williams, TJ Zhang, CL Scott, JH Bazylinski, DA TI Evidence for autotrophy via the reverse tricarboxylic acid cycle in the marine magnetotactic coccus strain MC-1 SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID HYDROGENOBACTER-THERMOPHILUS TK-6; GREEN SULFUR BACTERIUM; ATP-CITRATE LYASE; ARCHAEBACTERIUM THERMOPROTEUS-NEUTROPHILUS; CARBON ISOTOPE FRACTIONATION; NITROUS-OXIDE REDUCTASE; CO2 FIXATION PATHWAYS; CHLOROBIUM-LIMICOLA; CHLOROFLEXUS-AURANTIACUS; RHODOSPIRILLUM-RUBRUM AB Strain MC-1 is a marine, microaerophilic, magnetite-producing, magnetotactic coccus phylogenetically affiliated with the alpha-Proteobacteria. Strain MC-1 grew chemolithotrophically with sulfide and thiosulfate as electron donors with HCO3-/CO2 as the sole carbon source. Experiments with cells grown microaerobically in liquid with thiosulfate and (HCO3-)-C-14/(CO2)-C-14 showed that all cell carbon was derived from (HCO3-)-C-14/(CO2)-C-14 and therefore that MC-1 is capable of chemolithoautotrophy. Cell extracts did not exhibit ribulose-1,5-bisphosphate carboxylase-oxygenase (RubisCO) activity, nor were RubisCO genes found in the draft genome of MC-1. Thus, unlike other chemolithoautotrophic, magnetotactic bacteria, strain MC-1 does not appear to utilize the Calvin-Benson-Bas sham cycle for autotrophy. Cell extracts did not exhibit carbon monoxide dehydrogenase activity, indicating that the acetyl-coenzyme A pathway also does not function in strain MC-1. The C-13 content of whole cells of MC-1 relative to the 13C content of the inorganic carbon source (Delta delta(13)C) was -11.4 parts per thousand. Cellular fatty acids showed enrichment of C-13 relative to whole cells. Strain MC-1 cell extracts showed activities for several key enzymes of the reverse (reductive) tricarboxylic acid (rTCA) cycle including fumarate reductase, pyruvate:acceptor oxidoreductase and 2-oxoglutarate: acceptor oxidoreductase. Although ATP citrate Iyase (another key enzyme of the rTCA cycle) activity was not detected in strain MC-1 using commonly used assays, cell extracts did cleave citrate, and the reaction was dependent upon the presence of ATP and coenzyme A. Thus, we infer the presence of an ATP-dependent citrate-cleaving mechanism. These results are consistent with the operation of the rTCA cycle in MC-1. Strain MC-1 appears to be the first known representative of the alpha-Proteobacteria to use the rTCA cycle for autotrophy. C1 Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Bazylinski, DA (reprint author), Iowa State Univ, Dept Biochem Biophys & Mol Biol, 207 Sci I, Ames, IA 50011 USA. EM dbazylin@iastate.edu NR 63 TC 51 Z9 53 U1 4 U2 28 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2006 VL 72 IS 2 BP 1322 EP 1329 DI 10.1128/AEM.72.2.1322-1329.2006 PG 8 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 012QC UT WOS:000235353100046 PM 16461683 ER PT J AU Liebich, J Schadt, CW Chong, SC He, ZL Rhee, SK Zhou, JZ AF Liebich, J Schadt, CW Chong, SC He, ZL Rhee, SK Zhou, JZ TI Improvement of oligonucleotide probe design criteria for functional gene microarrays in environmental applications SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MICROBIAL COMMUNITIES; MOLECULAR DIVERSITY; EXPRESSION; HYBRIDIZATION; ARRAYS AB To optimize oligonucleotide probe design criteria, PCR products with different similarities to probes were hybridized to a functional gene microarray designed to detect homologous genes from different organisms. In contrast to more restrictive probe designs based on a single criterion, simultaneous consideration of the percent similarity (<= 90%), the length of identical sequence stretches (<= 20 bases), and the binding free energy ( >=-35 kcal mol(-1)) was found to be predictive of probe specificity. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Forschungszentrum Julich, Agrosphere Inst, ICG IV, D-52425 Julich, Germany. Chungbuk Natl Univ, Dept Microbiol, Cheungju 361763, South Korea. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Stephenson Res & Technol Ctr, 101 David L Boren Blvd, Norman, OK 73019 USA. EM jzhou@ou.edu RI Schadt, Christopher/B-7143-2008; He, Zhili/C-2879-2012 OI Schadt, Christopher/0000-0001-8759-2448; NR 19 TC 60 Z9 64 U1 2 U2 4 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD FEB PY 2006 VL 72 IS 2 BP 1688 EP 1691 DI 10.1128/AEM.72.2.1688-1691.2006 PG 4 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 012QC UT WOS:000235353100092 PM 16461729 ER PT J AU Schwarz, J Ramsey, M Headley, D Rambo, P Smith, I Porter, J AF Schwarz, J Ramsey, M Headley, D Rambo, P Smith, I Porter, J TI Thermal lens compensation by convex deformation of a flat mirror with variable annular force SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID RESONATOR; LASER; POWER AB An optical surface with convex parabolic shape over a large area has been created using a 12.7-mm-diameter annular pusher to deform a flat 25.4-mm-diameter mirror. The deformable mirror assembly has been modeled using finite element analysis software as well as analytical solutions. The measured parabolic surface deformation shows good agreement with those models. Mirror performance was studied using a Shack-Hartman wavefront sensor and the mirror has been applied to compensate thermal lensing in a Nd:YAG rod amplifier. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Sandia Natl Labs, Comforce Tech Serv, Albuquerque, NM 87185 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Schwarz, J (reprint author), Sandia Natl Labs, POB 5800 MS 1193, Albuquerque, NM 87185 USA. EM jschwar@sandia.gov RI Ramsey, Marc/E-6412-2011 OI Ramsey, Marc/0000-0002-2290-716X NR 10 TC 19 Z9 22 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD FEB PY 2006 VL 82 IS 2 BP 275 EP 281 DI 10.1007/s00340-005-2033-9 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA 001VX UT WOS:000234571900015 ER PT J AU Liebel, B Brodrick, J AF Liebel, B Brodrick, J TI The eyes have it - Part two SO ASHRAE JOURNAL LA English DT Editorial Material C1 After Image & Space, Emeryville, CA 94608 USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Liebel, B (reprint author), After Image & Space, Emeryville, CA 94608 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD FEB PY 2006 VL 48 IS 2 BP 67 EP + PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 011JS UT WOS:000235265000021 ER PT J AU de Vries, WH Becker, RH White, RL AF de Vries, WH Becker, RH White, RL TI Double-lobed radio quasars from the Sloan Digital Sky Survey SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : active; galaxies : statistics; quasars : emission lines ID COMPACT STEEP-SPECTRUM; REDDENED QUASARS; 1ST SURVEY; BENT JETS; EMISSION; EVOLUTION; GALAXIES; ALIGNMENT; CATALOG; MODELS AB We have combined a sample of 44,984 quasars selected from the Sloan Digital Sky Survey (SDSS) Data Release 3 with the FIRST radio survey. Using a novel technique in which the optical quasar position is matched to the complete radio environment within 45000, we are able to characterize the radio morphological makeup of what is essentially an optically selected quasar sample, regardless of whether the quasar (nucleus) itself has been detected in the radio. About 10% of the quasar population has radio cores brighter than 0.75 mJy at 1.4 GHz, and 1.7% have double-lobed FR2-like radio morphologies. About 75% of the FR2 sources have a radio core (> 0.75 mJy). A significant fraction (similar to 40%) of the FR2 quasars are bent by more than 10 degrees, indicating interactions of the radio plasma with either the intra-cluster medium or intergalactic medium. We found no evidence for correlations with redshift among our FR2 quasars; radio lobe flux densities and radio source diameters of the quasars have similar distributions at low (mean 0.77) and high (mean 2.09) redshifts. Using a smaller high-reliability FR2 sample of 422 quasars and two comparison samples of radio-quiet and non-FR2 radio-loud quasars matched in their redshift distributions, we constructed composite optical spectra from the SDSS spectroscopic data. Based on these spectra we can conclude that the FR2 quasars have stronger high-ionization emission lines compared to both the radio-quiet and non-FR2 radio-loud sources. This is consistent with the notion that the emission lines are brightened by ongoing shock ionization of ambient gas in the quasar host as the radio source expands. C1 Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. RP Univ Calif Davis, 1 Shields Ave, Davis, CA 95616 USA. EM devries1@llnl.gov RI White, Richard/A-8143-2012 NR 44 TC 53 Z9 53 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 EI 1538-3881 J9 ASTRON J JI Astron. J. PD FEB PY 2006 VL 131 IS 2 BP 666 EP 679 DI 10.1086/499303 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 010RX UT WOS:000235214500002 ER PT J AU Knapp, GR Tremonti, CA Rockosi, CM Schlegel, DJ Yanny, B Beers, TC Prieto, CA Wilhelm, R Lupton, RH Gunn, JE Niederste-Ostholt, M Schneider, DP Covey, K Seth, A Ivezic, Z Eisenstein, DJ Helmboldt, J Finkbeiner, DP Padmanabhan, N Kleinman, SJ Long, D Snedden, SA Nitta, A Harvanek, M Krzesinski, J Brewington, HJ Barentine, JC Newman, PR Nielsen, EH Fukugita, M Brinkmann, J AF Knapp, GR Tremonti, CA Rockosi, CM Schlegel, DJ Yanny, B Beers, TC Prieto, CA Wilhelm, R Lupton, RH Gunn, JE Niederste-Ostholt, M Schneider, DP Covey, K Seth, A Ivezic, Z Eisenstein, DJ Helmboldt, J Finkbeiner, DP Padmanabhan, N Kleinman, SJ Long, D Snedden, SA Nitta, A Harvanek, M Krzesinski, J Brewington, HJ Barentine, JC Newman, PR Nielsen, EH Fukugita, M Brinkmann, J TI Sdss J103913.70+533029.7: A super star cluster in the outskirts of a galaxy merger SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : formation; galaxies : individual (NGC 3310); galaxies : starburst; galaxies : star clusters ID DIGITAL SKY SURVEY; NEARBY STARBURST GALAXIES; YOUNG GLOBULAR-CLUSTERS; HORIZONTAL-BRANCH STARS; INITIAL MASS FUNCTION; MILKY-WAY; GALACTIC HALO; DATA RELEASE; TIDAL TAILS; IMAGING PIPELINES AB We describe the serendipitous discovery in the spectroscopic data of the Sloan Digital Sky Survey of a starlike object, SDSS J103913.70+533029.7, at a heliocentric radial velocity of +1012 km s(-1). Its proximity in position and velocity to the spiral galaxy NGC 3310 suggests an association with the galaxy. At this distance, SDSS J103913.70+533029.7 has the luminosity of a super star cluster and a projected distance of 17 kpc from NGC 3310. Its spectroscopic and photometric properties imply a mass of > 10(6) M-circle dot and an age close to that of the tidal shells seen around NGC 3310, suggesting that it formed in the event that formed the shells. C1 Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Univ Arizona, Dept Astron, Tucson, AZ 85721 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Calif Santa Cruz, Lick Observ, Santa Cruz, CA 95064 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. Univ Texas, McDonald Observ, Austin, TX 78712 USA. Univ Texas, Dept Astron, Austin, TX 78712 USA. Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. Princeton Univ, Dept Phys, Joseph Henry Labs, Princeton, NJ 08544 USA. Apache Point Observ, Sunspot, NM 88349 USA. Cracow Pedag Observ, Mt Suhora Observ, PL-30084 Krakow, Poland. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. RP Knapp, GR (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. RI Padmanabhan, Nikhil/A-2094-2012; Helmboldt, Joseph/C-8105-2012; OI Covey, Kevin/0000-0001-6914-7797 NR 82 TC 4 Z9 4 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD FEB PY 2006 VL 131 IS 2 BP 859 EP 865 DI 10.1086/499304 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 010RX UT WOS:000235214500017 ER PT J AU Sullivan, M Howell, DA Perrett, K Nugent, PE Astier, P Aubourg, E Balam, D Basa, S Carlberg, RG Conley, A Fabbro, S Fouchez, D Guy, J Hook, I Lafoux, H Neill, JD Pain, R Palanque-Delabrouille, N Pritchet, CJ Regnault, N Rich, J Taillet, R Aldering, G Baumont, S Bronder, J Filiol, M Knop, RA Perlmutter, S Tao, C AF Sullivan, M Howell, DA Perrett, K Nugent, PE Astier, P Aubourg, E Balam, D Basa, S Carlberg, RG Conley, A Fabbro, S Fouchez, D Guy, J Hook, I Lafoux, H Neill, JD Pain, R Palanque-Delabrouille, N Pritchet, CJ Regnault, N Rich, J Taillet, R Aldering, G Baumont, S Bronder, J Filiol, M Knop, RA Perlmutter, S Tao, C TI Photometric selection of high-redshift type Ia supernova candidates SO ASTRONOMICAL JOURNAL LA English DT Article DE distance scale; supernovae : general; surveys ID HUBBLE-SPACE-TELESCOPE; LIGHT-CURVE SHAPES; COSMOLOGICAL CONSTANT; ABSOLUTE SPECTROPHOTOMETRY; ULTRAVIOLET EXTINCTION; DARK ENERGY; LAMBDA; OMEGA; UNIVERSE; IDENTIFICATION AB We present a method for selecting high-redshift Type Ia supernovae (SNe Ia) located via rolling SN searches. The technique, using both color and magnitude information of events from only two to three epochs of multiband realtime photometry, is able to discriminate between SNe Ia and core-collapse SNe. Furthermore, for SNe Ia the method accurately predicts the redshift, phase, and light-curve parameterization of these events based only on pre-maximumlight data. We demonstrate the effectiveness of the technique on a simulated survey of SNe Ia and core-collapse SNe, where the selection method effectively rejects most core-collapse SNe while retaining SNe Ia. We also apply the selection code to real-time data acquired as part of the Canada-France-Hawaii Telescope Supernova Legacy Survey (SNLS). During the period 2004 May to 2005 January in the SNLS, 440 SN candidates were discovered, of which 70 were confirmed spectroscopically as SNe Ia and 15 as core-collapse events. For this test data set, the selection technique correctly identifies 100% of the identified SNe II as non-SNe Ia with only a 1%-2% false rejection rate. The predicted parameterization of the SNe Ia has a precision of vertical bar Delta z vertical bar/(1 + z(spec)) < 0: 09 in redshift and +/- 2-3 rest-frame days in phase, providing invaluable information for planning spectroscopic follow-up observations. We also investigate any bias introduced by this selection method on the ability of surveys such as SNLS to measure cosmological parameters (e. g., w and ohm M) and find any effect to be negligible. C1 Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H8, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. CNRS, Lab Phys Nucl & Hautes Energies, IN2P3, F-75005 Paris, France. Univ Paris 06, F-75005 Paris, France. Univ Paris 07, F-75005 Paris, France. AstroParticule & Cosmol, F-75231 Paris 5, France. CEA Saclay, Direct Sci Mat, DAPNIA, F-91191 Gif Sur Yvette, France. Univ Victoria, Dept Phys & Astron, Victoria, BC V8W 3P6, Canada. CNRS, Lab Astrophys Marseille, F-13376 Marseille 12, France. Inst Super Tecn, Ctr Multidisciplinar Astrofis, P-1049 Lisbon, Portugal. CNRS, IN2P3, Ctr Phys Particules Marseille, F-13288 Marseille 9, France. Univ Aix Marseille 2, F-13288 Marseille 9, France. Univ Oxford, Dept Astrophys, Oxford OX1 3RH, England. Univ Savoie, F-73000 Chambery, France. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RP Sullivan, M (reprint author), Univ Toronto, Dept Astron & Astrophys, 60 St George St, Toronto, ON M5S 3H8, Canada. RI Carlberg, Raymond/I-6947-2012; Perlmutter, Saul/I-3505-2015; OI Carlberg, Raymond/0000-0002-7667-0081; Perlmutter, Saul/0000-0002-4436-4661; Sullivan, Mark/0000-0001-9053-4820 NR 58 TC 67 Z9 67 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD FEB PY 2006 VL 131 IS 2 BP 960 EP 972 DI 10.1086/499302 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 010RX UT WOS:000235214500025 ER PT J AU Szkody, P Henden, A Agueros, M Anderson, SF Bochanski, JJ Knapp, GR Mannikko, L Mukadam, A Silvestri, NM Schmidt, GD Stephanik, B Watson, TK West, AA Winget, D Wolfe, MA Barentine, JC Brinkmann, J Brewington, HJ Downes, RA Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Downes, RA Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Nitta, A Schneider, DP Snedden, SA Voges, W AF Szkody, P Henden, A Agueros, M Anderson, SF Bochanski, JJ Knapp, GR Mannikko, L Mukadam, A Silvestri, NM Schmidt, GD Stephanik, B Watson, TK West, AA Winget, D Wolfe, MA Barentine, JC Brinkmann, J Brewington, HJ Downes, RA Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Downes, RA Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Nitta, A Schneider, DP Snedden, SA Voges, W TI Cataclysmic variables from Sloan Digital Sky Survey. V. The fifth year (2004) SO ASTRONOMICAL JOURNAL LA English DT Article DE binaries : eclipsing; binaries : spectroscopic; novae, cataclysmic variables; stars : dwarf novae ID DATA RELEASE; DWARF NOVA; WHITE-DWARFS; SYSTEMS; CET AB This paper identifies the cataclysmic variables that appear in spectra obtained in 2004 as part of the Sloan Digital Sky Survey. Spectra of 41 objects, including seven systems that were previously known (CC Cnc, DW Cnc, PQ Gem, AR UMa, AN UMa, RX J1131.3+ 4322, and UMa 6) and 34 new cataclysmic variables are presented. The positions and ugriz photometry of all 41 systems are given, as well as additional follow-up spectroscopic, photometric, and/or polarimetric observations of eight of the new systems. The new objects include three eclipsing systems, six with prominent He II emission, and six systems that show the underlying white dwarf. C1 Univ Washington, Dept Astron, Seattle, WA 98195 USA. USN Observ, Flagstaff Stn, Flagstaff, AZ 86002 USA. Univ Space Res Assoc, Columbia, MD 21044 USA. Amer Assoc Variable Star Observers, Cambridge, MA 02138 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Southwestern Univ, Informat Technol Serv, Georgetown, TX 78626 USA. Univ Texas, Dept Astron, Austin, TX 78712 USA. Apache Point Observ, Sunspot, NM 88349 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. RP Szkody, P (reprint author), Univ Washington, Dept Astron, Box 351580, Seattle, WA 98195 USA. RI West, Andrew/H-3717-2014; Agueros, Marcel/K-7998-2014 OI Agueros, Marcel/0000-0001-7077-3664 NR 41 TC 83 Z9 83 U1 2 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD FEB PY 2006 VL 131 IS 2 BP 973 EP 983 DI 10.1086/499308 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 010RX UT WOS:000235214500026 ER PT J AU Astier, P Guy, J Regnault, N Pain, R Aubourg, E Balam, D Basa, S Carlberg, RG Fabbro, S Fouchez, D Hook, IM Howell, DA Lafoux, H Neill, JD Palanque-Delabrouille, N Perrett, K Pritchet, CJ Rich, J Sullivan, M Taillet, R Aldering, G Antilogus, P Arsenijevic, V Balland, C Baumont, S Bronder, J Courtois, H Ellis, RS Filiol, M Goncalves, AC Goobar, A Guide, D Hardin, D Lusset, V Lidman, C McMahon, R Mouchet, M Mourao, A Perlmutter, S Ripoche, P Tao, C Walton, N AF Astier, P Guy, J Regnault, N Pain, R Aubourg, E Balam, D Basa, S Carlberg, RG Fabbro, S Fouchez, D Hook, IM Howell, DA Lafoux, H Neill, JD Palanque-Delabrouille, N Perrett, K Pritchet, CJ Rich, J Sullivan, M Taillet, R Aldering, G Antilogus, P Arsenijevic, V Balland, C Baumont, S Bronder, J Courtois, H Ellis, RS Filiol, M Goncalves, AC Goobar, A Guide, D Hardin, D Lusset, V Lidman, C McMahon, R Mouchet, M Mourao, A Perlmutter, S Ripoche, P Tao, C Walton, N TI The Supernova Legacy Survey: measurement of Omega(M), Omega(Lambda) and w from the first year data set SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE supernovae : general; cosmology : observations; cosmological parameters ID HIGH-REDSHIFT SUPERNOVAE; HUBBLE-SPACE-TELESCOPE; ALL-SKY SURVEY; SOUTHERN SPECTROPHOTOMETRIC STANDARDS; 2-PARAMETER LUMINOSITY CORRECTION; FRANCE-HAWAII-TELESCOPE; BVRI LIGHT CURVES; IA SUPERNOVAE; INFRARED PHOTOMETRY; COSMOLOGICAL PARAMETERS AB We present distance measurements to 71 high redshift type Ia supernovae discovered during the first year of the 5-year Supernova Legacy Survey (SNLS). These events were detected and their multi-color light-curves measured using the MegaPrime/MegaCam instrument at the Canada-France-Hawaii Telescope (CFHT), by repeatedly imaging four one-square degree fields in four bands, as part of the CFHT Legacy Survey (CFHTLS). Follow-up spectroscopy was performed at the VLT, Gemini and Keck telescopes to confirm the nature of the supernovae and to measure their redshift. With this data set, we have built a Hubble diagram extending to z = 1, with all distance measurements involving at least two bands. Systematic uncertainties are evaluated making use of the multi-band photometry obtained at CFHT. Cosmological fits to this first year SNLS Hubble diagram give the following results: Omega(M) = 0.263 +/- 0.042 (stat) +/- 0.032 (sys) for a flat Lambda CDM model; and w = -1.023 +/- 0.090 (stat) +/- 0.054 (sys) for a flat cosmology with constant equation of state w when combined with the constraint from the recent Sloan Digital Sky Survey measurement of baryon acoustic oscillations. C1 CNRS, IN2P3, LPNHE, F-75252 Paris 05, France. Univ Paris 06, F-75252 Paris, France. Univ Paris 07, F-75252 Paris 05, France. Coll France, APC, F-75005 Paris, France. CEA Saclay, DAPNIA, DSM, F-91191 Gif Sur Yvette, France. Univ Victoria, Dept Phys & Astron, Victoria, BC VSW 3P6, Canada. CNRS, LAM, F-13376 Marseille 12, France. Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H8, Canada. IST, CENTRA, Ctr M Astrofis, Lisbon, Portugal. IST, Dept Phys, Lisbon, Portugal. CNRS, CPPM, IN2P3, F-13288 Marseille 9, France. Univ Aix Marseille 2, F-13288 Marseille 9, France. Univ Oxford, Oxford OX1 3RH, England. Univ Savoie, F-73000 Chambery, France. LBNL, Berkeley, CA 94720 USA. ESO, Santiago 19, Chile. CRAL, F-69561 St Genis Laval, France. CALTECH, Pasadena, CA USA. LUTH, UMR 8102, CNRS, Meudon, France. LUTH, UMR 8102, CNRS, F-92195 Meudon, France. Observ Paris, F-92195 Meudon, France. Stockholm Univ, Dept Phys, Stockholm, Sweden. Univ Cambridge, IoA, Cambridge CB3 0EZ, England. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Astier, P (reprint author), CNRS, IN2P3, LPNHE, 4 Pl Jussieu, F-75252 Paris 05, France. EM astier@in2p3.fr RI Carlberg, Raymond/I-6947-2012; Arsenijevic, Vladan/F-6901-2013; Perlmutter, Saul/I-3505-2015; Mourao, Ana/K-9133-2015 OI Carlberg, Raymond/0000-0002-7667-0081; Arsenijevic, Vladan/0000-0002-8740-0706; Perlmutter, Saul/0000-0002-4436-4661; Mourao, Ana/0000-0002-0855-1849 NR 72 TC 1674 Z9 1683 U1 8 U2 48 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD FEB PY 2006 VL 447 IS 1 BP 31 EP U31 DI 10.1051/004-6361:20054185 PG 24 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 007GS UT WOS:000234957400004 ER PT J AU Labiano, A Vermeulen, RC Barthel, PD O'Dea, CP Gallimore, JF Baum, S de Vries, W AF Labiano, A Vermeulen, RC Barthel, PD O'Dea, CP Gallimore, JF Baum, S de Vries, W TI HI absorption in 3C 49 and 3C 268.3 - Probing the environment of compact steep spectrum and GHz peaked spectrum sources SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : active; galaxies : individual : 3C 49; galaxies : individual : 3C 268.3; galaxies : quasars : absorption lines; radio lines : galaxies; galaxies : jets ID RADIO-SOURCES; ABSORBING GAS; I ABSORPTION; EVOLUTION; GALAXIES; SPECTROSCOPY; ASYMMETRIES; REDSHIFTS; OBJECTS; YOUNG AB Aims. Localize and study the redshifted 21 cm H I absorption known to occur in the subgalactic sized compact steep spectrum galaxies 3C 49 and 3C 268.3. Methods. We carried out European VLBI Network UHF hand spectral line observations. Results. We have detected H I absorption towards the western radio lobe of 3C 49 and the northern lobe of 3C 268.3. However, we cannot rule out the presence of similar amounts of H I towards the opposite and much fainter lobes. The radio lobes with detected H I absorption (1) are brighter and closer to the core than the opposite lobes; (2) are depolarized; and (3) are associated with optical emission line gas. The association between the H I absorption and the emission line gas, Supports the hypothesis that the H I absorption is produced in the atomic cores of the emission line clouds. Our results are consistent with a picture in which compact steep spectrum sources interact with clouds of dense gas as they propagate through their host galaxy. We suggest that the asymmetries in the radio and optical emission can be due to interaction of a two sided radio source with an asymmetric distribution of dense clouds in their environment. C1 Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Netherlands Fdn Res Astron, NL-7990 AA Dwingeloo, Netherlands. Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. Bucknell Univ, Dept Phys, Lewisburg, PA 17837 USA. Rochester Inst Technol, Ctr Imaging Sci, Rochester, NY 14623 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. EM labiano@astro.rug.nl NR 36 TC 19 Z9 19 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD FEB PY 2006 VL 447 IS 2 BP 481 EP 487 DI 10.1051/0004-6361:20053856 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 015IC UT WOS:000235544100015 ER PT J AU Vermeulen, RC Labiano, A Barthel, PD Baum, SA de Vries, WH O'Dea, CP AF Vermeulen, RC Labiano, A Barthel, PD Baum, SA de Vries, WH O'Dea, CP TI Atomic hydrogen in the one-sided "compact double" radio galaxy 2050+364 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE galaxies : active; galaxies : ISM; galaxies : individual : 2050+364; galaxies : jets; radio lines : galaxies ID PEAKED SPECTRUM SOURCES; MHZ VLBI OBSERVATIONS; HI ABSORBING GAS; STEEP-SPECTRUM; INTERSTELLAR SCATTERING; SYMMETRICAL OBJECTS; EVOLUTION; GHZ; CONSTRAINTS; YOUNG AB Aims. Localise and study the redshifted 21 cm H I absorption and the radio morphology of 2050+364. Methods. European VLBI Network UHF band (1049 MHz) spectral imaging, and examination of VLBI continuum images at Multiple frequencies. Results. 2050+364 may well be a one-sided core-jet Source, Which appears as a double (the well-known East-West component pair E, W) over a limited frequency range. W would then be the innermost visible Portion of the jet, and could he at or adjacent to the canonical radio core. E is probably related to shocks at a Sudden bend of the jet, towards in additional Northern extended steep-spectrum area (N), visible in our 1049 MHz image. Our observations have resolved the H I absorbing region. A remarkably deep and narrow line component is present over the entire projected extent of 2050+364. It coincides in velocity with the [O III] optical double lines to within 10 km s(-1). This H I absorption Could arise in the atomic cores of NLR clouds, and the motion in the NLR is then remarkably coherent both along the line-of-sight and across a projected distance of >300 pc on the plane of the sky. Broader, shallower H I absorption at lower velocities covers only the plausible core area W. This absorption Could be due to gas which is either being entrained by the inner jet or is flowing out front the accretion region; it Could be related to the BLR. C1 Netherlands Fdn Res Astron, NL-7990 AA Dwingeloo, Netherlands. Univ Groningen, Kapteyn Astron Inst, NL-9700 AV Groningen, Netherlands. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Rochester Inst Technol, Ctr Imaging Sci, Rochester, NY 14623 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. RP Netherlands Fdn Res Astron, POB 2, NL-7990 AA Dwingeloo, Netherlands. EM rvermeulen@astron.nl; labiano@astro.rug.nl NR 38 TC 9 Z9 9 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 1432-0746 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD FEB PY 2006 VL 447 IS 2 BP 489 EP 498 DI 10.1051/0004-6361:20053857 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 015IC UT WOS:000235544100016 ER PT J AU Pittard, JM Dougherty, SM Coker, RF O'Connor, E Bolingbroke, NJ AF Pittard, JM Dougherty, SM Coker, RF O'Connor, E Bolingbroke, NJ TI Radio emission models of colliding-wind binary systems. Inclusion of IC cooling SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE stars : binaries : general; stars : early-type; stars : individual : WR147; stars : Wolf-Rayet; stars : winds, outflows; radio continuum : stars ID WOLF-RAYET STARS; X-RAY; WR 147; PARTICLE-ACCELERATION; MASS-LOSS; SYNCHROTRON EMISSION; NONTHERMAL EMISSION; VLA OBSERVATIONS; STELLAR WINDS; LIGHT CURVES AB Radio emission models of colliding wind binaries (CWBs) have been discussed by Dougherty et al. (2003). We extend these models by considering the temporal and spatial evolution of the energy distribution of relativistic electrons as they advect downstream from their shock acceleration site. The energy spectrum evolves significantly due to the strength of inverse-Compton (IC) cooling in these systems, and a full numerical evaluation of the synchrotron emission and absorption coefficients is made. We have demonstrated that the geometry of the WCR and the streamlines of the flow within it lead to a spatially dependent break frequency in the synchrotron emission. We therefore do not observe a single, sharp break in the synchrotron spectrum integrated over the WCR, but rather a steepening of the synchrotron spectrum towards higher frequencies. We also observe that emission from the wind-collision region (WCR) may appear brightest near the shocks, since the impact of IC cooling on the non-thermal electron distribution is greatest near the contact discontinuity (CD), and demonstrate that the impact of IC cooling on the observed radio emission increases significantly with decreasing binary separation. We study how the synchrotron emission changes in response to departures from equipartition, and investigate how the thermal flux from the WCR varies with binary separation. Since the emission from the WCR is optically thin, we see a substantial fraction of this emission at certain viewing angles, and we show that the thermal emission from a CWB can mimic a thermal plus non-thermal composite spectrum if the thermal emission from the WCR becomes comparable to that from the unshocked winds. We demonstrate that the observed synchrotron emission depends upon the viewing angle and the wind-momentum ratio, and find that the observed synchrotron emission decreases as the viewing angle moves through the WCR from the WR shock to the O shock. We obtain a number of insights relevant to models of closer systems such as WR140. Finally, we apply our new models to the very wide system WR147. The acceleration of non-thermal electrons appears to be very efficient in our models of WR147, and we suggest that the shock structure may be modified by feedback from the accelerated particles. C1 Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. Natl Res Council Canada, Herzberg Inst Astrophys, Dominion Radio Astrophys Observ, Penticton, BC V2A 6J9, Canada. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Prince Edward Isl, Dept Phys, Charlottetown, PE C1A 4P3, Canada. Univ Victoria, Dept Phys & Astron, Victoria, BC V8W 2Y2, Canada. RP Pittard, JM (reprint author), Univ Leeds, Sch Phys & Astron, Woodhouse Lane, Leeds LS2 9JT, W Yorkshire, England. EM jmp@ast.leeds.ac.uk OI O'Connor, Evan/0000-0002-8228-796X; Pittard, Julian/0000-0003-2244-5070 NR 69 TC 46 Z9 46 U1 0 U2 1 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD FEB PY 2006 VL 446 IS 3 BP 1001 EP 1019 DI 10.1051/0004-6361:20053649 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 005CX UT WOS:000234801300019 ER PT J AU Bosch-Ramon, V Paredes, JM Romero, GE Torres, DF AF Bosch-Ramon, V Paredes, JM Romero, GE Torres, DF TI A microquasar model applied to unidentified gamma-ray sources SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE X-rays : binaries; stars : winds; outflows; gamma-rays : observations; gamma-rays : theory ID GALACTIC PLANE; EMISSION; VARIABILITY; DISCOVERY; BINARY; JETS; SCATTERING; RADIATION; COMPTEL; LS-5039 AB Among unidentified gamma-ray sources in the galactic plane, there are some that present significant variability and have been proposed to be high-mass microquasars. To deepen the study of the possible association between variable low galactic latitude gamma-ray sources and microquasars, we have applied a leptonic jet model based on the microquasar scenario that reproduces the gamma-ray spectrum of three unidentified gamma-ray sources, 3EG J1735-1500, 3EG J1828+0142 and GRO J1411-64, and is consistent with the observational constraints at lower energies. We conclude that if these sources were generated by microquasars, the particle acceleration processes could not be as efficient as in other objects of this type that present harder gamma-ray spectra. Moreover, the dominant mechanism of high-energy emission should be synchrotron self-Compton (SSC) scattering, and the radio jets may only be observed at low frequencies. For each particular case, further predictions of jet physical conditions and variability generation mechanisms have been made in the context of the model. Although there might be other candidates able to explain the emission coming from these sources, microquasars cannot be excluded as counterparts. Observations performed by the next generation of gamma-ray instruments, like GLAST, are required to test the proposed model. C1 Univ Barcelona, Dept Astron & Meteorol, E-08028 Barcelona, Spain. Inst Argentino Radioastron, Buenos Aires, DF, Argentina. Natl Univ La Plata, Fac Ciencias Astron & Geofis, RA-1900 La Plata, Argentina. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Bosch-Ramon, V (reprint author), Univ Barcelona, Dept Astron & Meteorol, E-08028 Barcelona, Spain. EM vbosch@am.ub.es; jmparedes@ub.edu; romero@iar.unlp.edu.ar; dtorres@igpp.ucllnl.org RI Torres, Diego/O-9422-2016; OI Torres, Diego/0000-0002-1522-9065; Paredes, Josep M./0000-0002-1566-9044 NR 40 TC 6 Z9 6 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD FEB PY 2006 VL 446 IS 3 BP 1081 EP 1087 DI 10.1051/0004-6361:20052913 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 005CX UT WOS:000234801300025 ER PT J AU Anchordoqui, L Han, T Hooper, D Sarkar, S AF Anchordoqui, L Han, T Hooper, D Sarkar, S TI Exotic neutrino interactions at the Pierre Auger Observatory SO ASTROPARTICLE PHYSICS LA English DT Review ID ENERGY COSMIC-RAYS; BLACK-HOLE PRODUCTION; BARYON-NUMBER VIOLATION; GRAVITATING FUNDAMENTAL STRINGS; SUPERCONDUCTING SUPER COLLIDER; NUCLEON CROSS-SECTION; EXTRA DIMENSIONS; STANDARD MODEL; AIR-SHOWERS; INTERSECTING D5-BRANES AB The Pierre Auger Observatory for cosmic rays provides a laboratory for studying fundamental interactions at energies well beyond those available at colliders. In addition to hadrons or photons, Auger is sensitive to ultra-high energy neutrinos in the cosmic radiation and models for new physics can be explored by observing neutrino interactions at center-of-mass energies beyond the TeV scale. By comparing the rate for quasi-horizontal, deeply penetrating air showers triggered by all types of neutrinos with the rate for slightly upgoing showers generated by Earth-skimming tau neutrinos, any deviation of the neutrino-nucleon cross-section from the Standard Model expectation can be constrained. We show that this can test models of low-scale quantum gravity (including processes such as Kaluza-Klein graviton exchange, microscopic black hole production and string resonances), as well as non-perturbative electroweak instanton mediated processes. Moreover, the observed ratios of neutrino flavors would severely constrain the possibility of neutrino decay. C 2005 Elsevier B.V. All rights reserved. C1 Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford OX1 3NP, England. Northeastern Univ, Dept Phys, Boston, MA 02115 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Fermilab Natl Accelerator Lab, Particle Astrophys Ctr, Batavia, IL 60510 USA. Univ Oxford, Oxford OX1 3RH, England. RP Univ Oxford, Rudolf Peierls Ctr Theoret Phys, Oxford OX1 3NP, England. EM s.sarkar@physics.oxford.ac.uk RI Sarkar, Subir/G-5978-2011; OI Sarkar, Subir/0000-0002-3542-858X; Han, Tao/0000-0002-5543-0716 NR 184 TC 33 Z9 33 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD FEB PY 2006 VL 25 IS 1 BP 14 EP 32 DI 10.1016/j.astropartphys.2005.10.006 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 013PT UT WOS:000235422100002 ER PT J AU Belz, J Cao, Z Huentemeyer, P Jui, CCH Martens, K Matthews, J Maestas, M Smith, J Sokolsky, P Springer, RW Thomas, J Thomas, S Chen, P Field, C Hast, C Iverson, R Ng, JST Odian, A Reil, K Vincke, H Walz, D Goldammer, A Guest, D Thomson, G Chang, FY Chen, CC Chen, CW Huang, MA Hwang, WYP Lin, GL AF Belz, J Cao, Z Huentemeyer, P Jui, CCH Martens, K Matthews, J Maestas, M Smith, J Sokolsky, P Springer, RW Thomas, J Thomas, S Chen, P Field, C Hast, C Iverson, R Ng, JST Odian, A Reil, K Vincke, H Walz, D Goldammer, A Guest, D Thomson, G Chang, FY Chen, CC Chen, CW Huang, MA Hwang, WYP Lin, GL TI Comparison of air fluorescence and ionization measurements of EM shower depth profiles: Test of a UHECR detector technique SO ASTROPARTICLE PHYSICS LA English DT Article DE air fluorescence; electromagnetic shower; ultra-high energy cosmic rays ID ENERGY COSMIC-RAYS; PARTICLES; BURSTS AB Measurements are reported on the fluorescence of air as a function of depth in electromagnetic showers initiated by bunches of 28.5 GeV electrons. The light yield is compared with the expected and observed depth profiles of ionization in the showers. It validates the use of atmospheric fluorescence profiles in measuring ultra high energy cosmic rays. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Univ Utah, Salt Lake City, UT 84112 USA. Univ Montana, Missoula, MT 59812 USA. Rutgers State Univ, Piscataway, NJ 08854 USA. CosPA, Taipei 10617, Taiwan. RP Field, C (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RI Martens, Kai/A-4323-2011; OI HWANG, W-Y/0000-0003-1563-8683 NR 30 TC 18 Z9 18 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD FEB PY 2006 VL 25 IS 1 BP 57 EP 63 DI 10.1016/j.astropartphys.2005.11.004 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 013PT UT WOS:000235422100006 ER PT J AU Abbasi, R Abu-Zayyad, T Amann, JF Archbold, GC Belov, K BenZvi, S Belz, JW Bergman, DR Boyer, J Cannon, CT Cao, Z Connolly, BM Fedorova, J Finley, CB Girard, JHV Gray, RC Hanlon, WP Hoffman, CM Holzscheiter, MH Hughes, GA Huntemeyer, P Jui, CCH Kim, K Kirn, MA Knapp, B Loh, EC Martens, K Manago, N Mannel, EJ Matthews, JAJ Matthews, JN Mumford, JR O'Neill, A Riehle, R Reil, K Roberts, MD Seman, M Schnetzer, SR Shen, P Sinnis, G Smith, JD Sokolsky, P Song, C Springer, RW Stokes, BT Thomas, SB Thomson, GB Tupa, D Westerhoff, S Wiencke, LR Zech, A AF Abbasi, R Abu-Zayyad, T Amann, JF Archbold, GC Belov, K BenZvi, S Belz, JW Bergman, DR Boyer, J Cannon, CT Cao, Z Connolly, BM Fedorova, J Finley, CB Girard, JHV Gray, RC Hanlon, WP Hoffman, CM Holzscheiter, MH Hughes, GA Huntemeyer, P Jui, CCH Kim, K Kirn, MA Knapp, B Loh, EC Martens, K Manago, N Mannel, EJ Matthews, JAJ Matthews, JN Mumford, JR O'Neill, A Riehle, R Reil, K Roberts, MD Seman, M Schnetzer, SR Shen, P Sinnis, G Smith, JD Sokolsky, P Song, C Springer, RW Stokes, BT Thomas, SB Thomson, GB Tupa, D Westerhoff, S Wiencke, LR Zech, A TI Techniques for measuring atmospheric aerosols at the high resolution fly's eye experiment SO ASTROPARTICLE PHYSICS LA English DT Article DE air showers; atmospherics; aerosols; lasers; UV; LIDAR ID RAYLEIGH-SCATTERING AB We describe several techniques developed by the high resolution fly's eye experiment for measuring aerosol vertical optical depth, aerosol horizontal attenuation length, and aerosol phase function. The techniques are based on measurements of side-scattered light generated by a steerable ultraviolet laser and collected by an optical detector designed to measure fluorescence light from cosmic-ray air showers. We also present a technique to cross-check the aerosol optical depth measurement using air showers observed in stereo. These methods can be used by future air fluorescence experiments. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. Univ Utah, Dept Phys, High Energy Astroparticle Phys Inst, Salt Lake City, UT 84112 USA. Columbia Univ, Nevis Labs, Irvington, NY USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba, Japan. RP Roberts, MD (reprint author), Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. EM roberts@cosmic.utah.edu; wiencke@cosmic.utah.edu RI Song, Chihwa/A-3455-2008; Martens, Kai/A-4323-2011; Belov, Konstantin/D-2520-2013; OI Tupa, Dale/0000-0002-6265-5016; Girard, Julien/0000-0001-8627-0404 NR 11 TC 14 Z9 14 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD FEB PY 2006 VL 25 IS 1 BP 74 EP 83 DI 10.1016/j.astropartphys.2005.11.006 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 013PT UT WOS:000235422100008 ER PT J AU Weisskopf, MC Aldcroft, TL Cameron, RA Gandhi, P Foellmi, C Elsner, RF Patel, SK Wu, K O'Dell, SL AF Weisskopf, MC Aldcroft, TL Cameron, RA Gandhi, P Foellmi, C Elsner, RF Patel, SK Wu, K O'Dell, SL TI The first Chandra field SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : active; history and philosophy of astronomy; X-rays : general ID ACTIVE GALACTIC NUCLEI; EMISSION-LINE PROPERTIES; X-RAY-EMISSION; FE-II EMISSION; BALMER DECREMENT; PG QUASARS; CATACLYSMIC VARIABLES; PHYSICAL CONDITIONS; CORRELATION SPACE; SEYFERT-GALAXIES AB Before the official first- light images, the Chandra X- Ray Observatory obtained an X- ray image of the field to which its focal plane was first exposed. We describe this historic observation and report our study of the first Chandra field. Chandra's Advanced CCD Imaging Spectrometer ( ACIS) detected 15 X- ray sources, the brightest being dubbed Leon X- 1 to honor the Chandra telescope scientist LeonVan Speybroeck. Based on our analysis of the X- ray data and spectroscopy at the European Southern Observatory ( ESO; La Silla, Chile), we find that LeonX- 1 is a type- 1 ( unobscured) active galactic nucleus ( AGN) at redshift z = 0: 3207. Leon X- 1 exhibits strong Fe (II) emission and a broad- line Balmer decrement that is unusually flat for an AGN. Within the context of the eigenvector- 1 correlation space, these properties suggest that Leon X- 1 may be a massive ( >= 10(9) M (circle dot)) black hole, accreting at a rate approaching its Eddington limit. C1 NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35805 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. European So Observ, Santiago 19, Chile. Univ Space Res Assoc, Huntsville, AL 35805 USA. UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. RP NASA, George C Marshall Space Flight Ctr, NSSTC XD12,3200 Sparkman Dr, Huntsville, AL 35805 USA. OI O'Dell, Stephen/0000-0002-1868-8056 NR 55 TC 4 Z9 4 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP 682 EP 692 DI 10.1086/497907 PN 1 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SA UT WOS:000235131600011 ER PT J AU Blustin, AJ Band, D Barthelmy, S Boyd, P Capalbi, M Holland, ST Marshall, FE Mason, KO Perri, M Poole, T Roming, P Rosen, S Schady, P Still, M Zhang, B Angelini, L Barbier, L Beardmore, A Breeveld, A Burrows, DN Cummings, JR Canizzo, J Campana, S Chester, MM Chincarini, G Cominsky, LR Cucchiara, A de Pasquale, M Fenimore, EE Gehrels, N Giommi, P Goad, M Gronwall, C Grupe, D Hill, JE Hinshaw, D Hunsberger, S Hurley, KC Ivanushkina, M Kennea, JA Krimm, HA Kumar, P Landsman, W La Parola, V Markwardt, CB McGowan, K Meszaros, P Mineo, T Moretti, A Morgan, A Nousek, J O'Brien, PT Osborne, JP Page, K Page, MJ Palmer, DM Parsons, AM Rhoads, J Romano, P Sakamoto, T Sato, G Tagliaferri, G Tueller, J Wells, AA White, NE AF Blustin, AJ Band, D Barthelmy, S Boyd, P Capalbi, M Holland, ST Marshall, FE Mason, KO Perri, M Poole, T Roming, P Rosen, S Schady, P Still, M Zhang, B Angelini, L Barbier, L Beardmore, A Breeveld, A Burrows, DN Cummings, JR Canizzo, J Campana, S Chester, MM Chincarini, G Cominsky, LR Cucchiara, A de Pasquale, M Fenimore, EE Gehrels, N Giommi, P Goad, M Gronwall, C Grupe, D Hill, JE Hinshaw, D Hunsberger, S Hurley, KC Ivanushkina, M Kennea, JA Krimm, HA Kumar, P Landsman, W La Parola, V Markwardt, CB McGowan, K Meszaros, P Mineo, T Moretti, A Morgan, A Nousek, J O'Brien, PT Osborne, JP Page, K Page, MJ Palmer, DM Parsons, AM Rhoads, J Romano, P Sakamoto, T Sato, G Tagliaferri, G Tueller, J Wells, AA White, NE TI Swift panchromatic observations of the bright gamma-ray burst GRB 050525a SO ASTROPHYSICAL JOURNAL LA English DT Article DE astrometry; galaxies : distances and redshifts; gamma rays : bursts; shock waves; X-rays : individual (GRB 050525a) ID AFTERGLOW LIGHT CURVES; OPTICAL AFTERGLOWS; PEAK LUMINOSITY; REVERSE-SHOCK; GRB 050525A; ENERGY; GRB-021211; SPECTRA; MODEL; GRB-990123 AB The bright gamma- ray burst GRB 050525a has been detected with the Swift observatory, providing unique multiwavelength coverage from the very earliest phases of the burst. The X- ray and optical / UV afterglow decay light curves both exhibit a steeper slope similar to 0.15 days after the burst, indicative of a jet break. This jet break time combined with the total gamma- ray energy of the burst constrains the opening angle of the jet to be 3 degrees.2. We derive an empirical `` timelag'' redshift from the BAT data of (z) over bar z 0: 69 +/- 0: 02, in good agreement with the spectroscopic redshift of 0.61. Prior to the jet break, the X- ray data can be modeled by a simple power law with index alpha = - 1: 2. However, after 300 s the X- ray flux brightens by about 30% compared to the power- law fit. The optical / UV data have a more complex decay, with evidence of a rapidly falling reverse shock component that dominates in the first minute or so, giving way to a flatter forward shock component at later times. The multiwavelength X- ray/ UV/ optical spectrum of the afterglow shows evidence for migration of the electron cooling frequency through the optical range within 25,000 s. The measured temporal decay and spectral indexes in the X- ray and optical/ UV regimes compare favorably with the standard fireball model for gamma- ray bursts assuming expansion into a constant- density interstellar medium. C1 UCL, Mullard Space Sci Lab, Dept Space & Climate Phys, Dorking RH5 6NT, Surrey, England. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. ASI Sci Data Ctr, I-00044 Frascati, Rome, Italy. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. INAF Osservatorio Astron Brera, I-23807 Merate, Italy. Sonoma State Univ, Dept Phys & Astron, Rohnert Pk, CA 94928 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Univ Texas, Dept Astron, Austin, TX 78712 USA. INAF Ist Astrofis Spaziale & Cosm, I-90146 Palermo, Italy. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Inst Space & Astronaut Sci, Kanagawa 2298510, Japan. RP UCL, Mullard Space Sci Lab, Dept Space & Climate Phys, Holmbury St Mary, Dorking RH5 6NT, Surrey, England. EM ajb@mssl.ucl.ac.uk RI Gehrels, Neil/D-2971-2012; Tueller, Jack/D-5334-2012; Lujan Center, LANL/G-4896-2012; Parsons, Ann/I-6604-2012; White, Nicholas/B-6428-2012; Barthelmy, Scott/D-2943-2012; Boyd, Patricia/D-3274-2012; OI Mineo, Teresa/0000-0002-4931-8445; Campana, Sergio/0000-0001-6278-1576; White, Nicholas/0000-0003-3853-3462; giommi, paolo/0000-0002-2265-5003; moretti, alberto/0000-0002-9770-0315; Perri, Matteo/0000-0003-3613-4409; La Parola, Valentina/0000-0002-8087-6488; Tagliaferri, Gianpiero/0000-0003-0121-0723 NR 52 TC 95 Z9 95 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP 901 EP 913 DI 10.1086/498425 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SA UT WOS:000235131600033 ER PT J AU Woosley, SE Heger, A AF Woosley, SE Heger, A TI The progenitor stars of gamma-ray bursts SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; stars : rotation; supernovae : general ID MASS-LOSS RATES; SUPERNOVA SN 1998BW; STELLAR EVOLUTION; PRESUPERNOVA EVOLUTION; METALLICITY DEPENDENCE; CLOSE BINARIES; HOST GALAXIES; NEUTRON-STAR; BLACK-HOLES; ROTATION AB Those massive stars that give rise to gamma ray bursts ( GRBs) during their deaths must be endowed with an unusually large amount of angular momentum in their inner regions, 1 - 2 orders of magnitude greater than the ones that make common pulsars. Yet the inclusion of mass loss and angular momentum transport by magnetic torques during the precollapse evolution is known to sap the core of the necessary rotation. Here we explore the evolution of very rapidly rotating massive stars, including stripped- down helium cores that might result from mergers or mass transfer in a binary, and single stars that rotate unusually rapidly on the main sequence. For the highest possible rotation rates ( about 400 km s(-1)), a novel sort of evolution is encountered in which single stars mix completely on the main sequence, never becoming red giants. Such stars, essentially massive `` blue stragglers,'' produce helium- oxygen cores that rotate unusually rapidly. Such stars might comprise roughly 1% of all stars above 10 M (circle dot) and can, under certain circumstances, retain enough angular momentum to make GRBs. Because this possibility is very sensitive to mass loss, GRBs are much more probable in regions of low metallicity. C1 Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. Los Alamos Natl Lab, Theoret Astrophys Grp, Los Alamos, NM 87545 USA. RP Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. EM woosley@ucolick.org; 1@2sn.org NR 66 TC 485 Z9 485 U1 1 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP 914 EP 921 DI 10.1086/498500 PN 1 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SA UT WOS:000235131600034 ER PT J AU Almgren, AS Bell, JB Rendleman, CA Zingale, M AF Almgren, AS Bell, JB Rendleman, CA Zingale, M TI Low Mach number modeling of type Ia supernovae. I. Hydrodynamics SO ASTROPHYSICAL JOURNAL LA English DT Article DE convection; hydrodynamics; methods : numerical; nuclear reactions, nucleosynthesis, abundances; supernovae : general; white dwarfs ID NAVIER-STOKES EQUATIONS; 2ND-ORDER PROJECTION METHOD; DEEP MOIST CONVECTION; ANELASTIC APPROXIMATION; SCALE ANALYSIS; SIMULATIONS; FLOWS; EXPLOSION; IGNITION; MOTION AB We introduce a low Mach number equation set for the large- scale numerical simulation of carbon- oxygen white dwarfs experiencing a thermonuclear deflagration. Since most of the interesting physics in a Type Ia supernova transpires at Mach numbers from 0.01 to 0.1, such an approach enables both a considerable increase in accuracy and a savings in computer time compared with frequently used compressible codes. Our equation set is derived from the fully compressible equations using low Mach number asymptotics, but without any restriction on the size of perturbations in density or temperature. Comparisons with simulations that use the fully compressible equations validate the lowMach number model in regimes where both are applicable. Comparisons to simulations based on the more traditional anelastic approximation also demonstrate the agreement of these models in the regime for which the anelastic approximation is valid. For low Mach number flows with potentially finite amplitude variations in density and temperature, the low Mach number model overcomes the limitations of each of the more traditional models and can serve as the basis for an accurate and efficient simulation tool. C1 Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. RP Lawrence Berkeley Lab, Ctr Computat Sci & Engn, Berkeley, CA 94720 USA. OI Zingale, Michael/0000-0001-8401-030X NR 46 TC 73 Z9 73 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP 922 EP 936 DI 10.1086/498426 PN 1 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SA UT WOS:000235131600035 ER PT J AU Sharma, P Hammett, GW Quataert, E Stone, JM AF Sharma, P Hammett, GW Quataert, E Stone, JM TI Shearing box simulations of the MRI in a collisionless plasma SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; methods : numerical; MHD; plasmas; turbulence ID RADIATION MAGNETOHYDRODYNAMICS CODE; PROTON TEMPERATURE ANISOTROPY; 2 SPACE DIMENSIONS; MAGNETOROTATIONAL INSTABILITY; MIRROR INSTABILITY; ACCRETION DISKS; HYDRODYNAMIC ALGORITHMS; TURBULENCE SIMULATIONS; ASTROPHYSICAL FLOWS; DOMINATED ACCRETION AB We describe local shearing box simulations of turbulence driven by the magnetorotational instability ( MRI) in a collisionless plasma. Collisionless effects may be important in radiatively inefficient accretion flows, such as near the black hole in the Galactic center. The MHD version of ZEUS is modified to evolve an anisotropic pressure tensor. A fluid closure approximation is used to calculate heat conduction along magnetic field lines. The anisotropic pressure tensor provides a qualitatively new mechanism for transporting angular momentum in accretion flows ( in addition to the Maxwell and Reynolds stresses). We estimate limits on the pressure anisotropy due to pitch angle scattering by kinetic instabilities. Such instabilities provide an effective `` collision'' rate in a collisionless plasma and lead to more MHD- like dynamics. We find that the MRI leads to efficient growth of the magnetic field in a collisionless plasma, with saturation amplitudes comparable to those in MHD. In the saturated state, the anisotropic stress is comparable to the Maxwell stress, implying that the rate of angular momentum transport may be moderately enhanced in a collisionless plasma. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. RP Sharma, P (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. EM psharma@pppl.gov; hammett@pppl.gov; eliot@astron.berkeley.edu; jstone@astro.princeton.edu RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 NR 40 TC 103 Z9 103 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP 952 EP 967 DI 10.1086/498405 PN 1 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SA UT WOS:000235131600037 ER PT J AU Cooray, A Holz, DE Huterer, D AF Cooray, A Holz, DE Huterer, D TI Cosmology from supernova magnification maps SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; cosmology : theory; galaxies : fundamental parameters; gravitational lensing ID LARGE-SCALE STRUCTURE; HIGH-REDSHIFT SUPERNOVAE; HUBBLE-SPACE-TELESCOPE; COSMIC MAGNIFICATION; IA SUPERNOVAE; DARK-MATTER; WEAK; CONSTRAINTS AB High-z Type Ia supernovae are expected to be gravitationally lensed by the foreground distribution of largescale structure. The resulting magnification of supernovae is statistically measurable, and the angular correlation of the magnification pattern directly probes the integrated mass density along the line of sight. Measurements of the cosmic magnification of supernovae therefore complement measurements of galaxy shear in providing a direct measure of the clustering of the dark matter. As the surface density of supernovae is typically much smaller than that of sheared galaxies, the two-point correlation function of lensed Type Ia supernovae suffers from significantly increased shot noise. Nevertheless, we find that the magnification map of a large sample of supernovae provides an important cosmological tool. For example, a search over 20 deg(2) over 5 years leading to a sample of similar to 10,000 supernovae would measure the angular power spectrum of cosmic magnification with a cumulative signal-to-noise ratio of similar to 20. This detection can be further improved once the supernova distance measurements are cross-correlated with measurements of the foreground galaxy distribution. The magnification maps made using supernovae can be used for important cross-checks with traditional lensing shear statistics obtained in the same fields and can help to control systematics. C1 Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92617 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Cooray, A (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92617 USA. NR 39 TC 26 Z9 26 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2006 VL 637 IS 2 BP L77 EP L80 DI 10.1086/500586 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009SD UT WOS:000235131900003 ER PT J AU Whalen, D Norman, ML AF Whalen, D Norman, ML TI A multistep algorithm for the radiation hydrodynamical transport of cosmological ionization fronts and ionized flows SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE cosmology : theory; early universe; HII regions; hydrodynamics; methods : numerical ID PROBE WMAP OBSERVATIONS; POPULATION-III STARS; HIGH-REDSHIFT; HII-REGIONS; 1ST STARS; COSMIC REIONIZATION; GALAXY FORMATION; PRIMORDIAL STAR; STELLAR SOURCES; UNIVERSE AB Radiation hydrodynamical transport of ionization fronts (I-fronts) in the next generation of cosmological reionization simulations holds the promise of predicting UV escape fractions from first principles as well as investigating the role of photoionization in feedback processes and structure formation. We present a multistep integration scheme for radiative transfer and hydrodynamics for accurate propagation of I-fronts and ionized flows from a point source in cosmological simulations. The algorithm is a photon-conserving method that correctly tracks the position of I-fronts at much lower resolutions than nonconservative techniques. The method applies direct hierarchical updates to the ionic species, bypassing the need for the costly matrix solutions required by implicit methods while retaining sufficient accuracy to capture the true evolution of the fronts. We review the physics of ionization fronts in power-law density gradients, whose analytical solutions provide excellent validation tests for radiation coupling schemes. The advantages and potential drawbacks of direct and implicit schemes are also considered, with particular focus on problem time-stepping, which if not properly implemented can lead to morphologically plausible I-front behavior that nonetheless departs from theory. We also examine the effect of radiation pressure from very luminous central sources on the evolution of I-fronts and flows. C1 Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Whalen, D (reprint author), Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. EM dwhalen@cosmos.ucsd.edu NR 51 TC 70 Z9 70 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD FEB PY 2006 VL 162 IS 2 BP 281 EP 303 DI 10.1086/499072 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 013QW UT WOS:000235425300001 ER PT J AU Bailey, VL Smith, JL Bolton, H AF Bailey, VL Smith, JL Bolton, H TI C-14 Cycling in lignocellulose-amended soils: predicting long-term C fate from short-term indicators SO BIOLOGY AND FERTILITY OF SOILS LA English DT Article DE C sequestration; lignocellulose degradation; soil properties; predictors of C storage ID MICROBIAL BIOMASS-C; WHITE-ROT FUNGI; ORGANIC-MATTER; CARBON; DECOMPOSITION; NITROGEN; PARTICULATE; TURNOVER; DYNAMICS; TEXTURE AB We compared lignocellulose (the second most abundant component of plant material) degradation over 8 months in contrasting soils from each of five sites across the United States with the aim of assessing which soils are likely to store more C. The soils were collected from a tallgrass prairie restoration (farmland, and plots restored in 1993 and 1979), the semiarid shrub-steppe (cool, moist upper slope and warm, dry lower slope soils), long-term farmland (no-till and conventional-till), and from two forest soils (loblolly pine and Douglas fir; fertilized and nonfertilized). Soils that rapidly metabolized freshly added C exploited endogenous and newly transformed C to a lesser degree over the course of the incubation (lower slope shrub-steppe, nonfertilized Douglas fir, and tallgrass prairie farmed and 1993 restorations). We also pooled the data to find a strong relationship between sand content and lignocellulose C remaining in the soil after 8 months (R=0.68) and also between short-term storage of lignocellulose C (at 7 days) and lignocellulose C remaining after 8 months (R=0.94). To predict C storage, models of C and soil properties must be modified to reflect the structure and function of microbial communities. Communities in richer soils may be more competent to use native C following fresh C additions when compared with communities in poorer soils. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Washington State Univ, USDA ARS, Pullman, WA 99164 USA. RP Bailey, VL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,MSIN P7-50, Richland, WA 99352 USA. EM vanessa.bailey@pnl.gov RI Bolton, Harvey/E-5583-2011; OI Bailey, Vanessa/0000-0002-2248-8890 NR 36 TC 1 Z9 1 U1 1 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-2762 J9 BIOL FERT SOILS JI Biol. Fertil. Soils PD FEB PY 2006 VL 42 IS 3 BP 198 EP 206 DI 10.1007/s00374-005-0016-y PG 9 WC Soil Science SC Agriculture GA 009NH UT WOS:000235118300003 ER PT J AU Neville, F Cahuzac, M Konovalov, O Ishitsuka, Y Lee, KYC Kuzmenko, I Kale, GM Gidalevitz, D AF Neville, F Cahuzac, M Konovalov, O Ishitsuka, Y Lee, KYC Kuzmenko, I Kale, GM Gidalevitz, D TI Lipid headgroup discrimination by antimicrobial peptide LL-37: Insight into mechanism of action SO BIOPHYSICAL JOURNAL LA English DT Article ID X-RAY REFLECTIVITY; AIR-WATER-INTERFACE; MEMBRANE-LYTIC PEPTIDES; PHOSPHOLIPID MONOLAYERS; GRAZING-INCIDENCE; MOLECULAR-BASIS; SURFACE; BILAYERS; INSERTION; MODEL AB Interaction of the human antimicrobial peptide LL-37 with lipid monolayers has been investigated by a range of complementary techniques including pressure-area isotherms, insertion assay, epifluorescence microscopy, and synchrotron x-ray scattering, to analyze its mechanism of action. Lipid monolayers were formed at the air-liquid interface to mimic the surface of the bacterial cell wall and the outer lea. et of erythrocyte cell membrane by using phosphatidylglycerol ( DPPG), phosphatidylcholine ( DPPC), and phosphatidylethanolamine ( DPPE) lipids. LL-37 is found to readily insert into DPPG monolayers, disrupting their structure and thus indicating bactericidal action. In contrast, DPPC and DPPE monolayers remained virtually unaffected by LL-37, demonstrating its nonhemolytic activity and lipid discrimination. Specular x-ray reflectivity data yielded considerable differences in layer thickness and electron-density pro. le after addition of the peptide to DPPG monolayers, but little change was seen after peptide injection when probing monolayers composed of DPPC and DPPE. Grazing incidence x-ray diffraction demonstrated significant peptide insertion and lateral packing order disruption of the DPPG monolayer by LL-37 insertion. Epifluorescence microscopy data support these findings. C1 IIT, Dept Chem Engn, Chicago, IL 60616 USA. Univ Leeds, Mat Res Inst, Leeds, W Yorkshire, England. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Univ Chicago, Dept Chem, Inst Biophys Dynam, Chicago, IL 60637 USA. Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP IIT, Dept Chem Engn, Chicago, IL 60616 USA. EM gidalevitz@iit.edu RI Neville, Frances/C-5254-2008; Gidalevitz, David/D-6717-2012; Ishitsuka, Yuji/J-1921-2014 OI Neville, Frances/0000-0002-7760-1344; Ishitsuka, Yuji/0000-0002-6780-7154 NR 79 TC 77 Z9 78 U1 3 U2 29 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD FEB PY 2006 VL 90 IS 4 BP 1275 EP 1287 DI 10.1529/biophysj.105.067595 PG 13 WC Biophysics SC Biophysics GA 007XH UT WOS:000235004200020 PM 16299073 ER PT J AU Blinov, ML Faeder, JR Goldstein, B Hlavacek, WS AF Blinov, ML Faeder, JR Goldstein, B Hlavacek, WS TI A network model of early events in epidermal growth factor receptor signaling that accounts for combinatorial complexity SO BIOSYSTEMS LA English DT Article; Proceedings Paper CT 5th International Conference on Systems Biology (ICSB 2004) CY OCT 09-13, 2004 CL Heidelberg, GERMANY DE computational systems biology; receptor tyrosine kinase; protein complexes; rule-based modeling; automatic network generation; BioNetGen ID FC-EPSILON-RI; TYROSINE KINASES; EGF RECEPTORS; PROTEOMIC ANALYSIS; CRYSTAL-STRUCTURE; BINDING-SITES; PROTEIN; TRANSDUCTION; RAS; GRB2 AB We consider a model of early events in signaling by the epidermal growth factor (EGF) receptor (EGFR). The model includes EGF, EGFR, the adapter proteins Grb2 and Shc, and the guanine nucleotide exchange factor Sos, which is activated through EGF-induced formation of EGFR-Grb2-Sos and EGFR-Shc-Grb2-Sos assemblies at the plasma membrane. The protein interactions involved in signaling can potentially generate a diversity of protein complexes and phosphoforms; however, this diversity has been largely ignored in models of EGFR signaling. Here, we develop a model that accounts more fully for potential molecular diversity by specifying rules for protein interactions and then using these rules to generate a reaction network that includes all chemical species and reactions implied by the protein interactions. We obtain a model that predicts the dynamics of 356 molecular species, which are connected through 3749 unidirectional reactions. This network model is compared with a previously developed model that includes only 18 chemical species but incorporates the same scope of protein interactions. The predictions of this model are reproduced by the network model, which also yields new predictions. For example, the network model predicts distinct temporal patterns of autophosphorylation for different tyrosine residues of EGFR. A comparison of the two models suggests experiments that could lead to mechanistic insights about competition among adapter proteins for EGFR binding sites and the role of EGFR monomers in signal transduction. (C) 2005 Elsevier Ireland Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Hlavacek, WS (reprint author), Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Mail Stop K710, Los Alamos, NM 87545 USA. EM wish@lanl.gov OI Hlavacek, William/0000-0003-4383-8711 FU NCRR NIH HHS [RR18754]; NIAID NIH HHS [AI28433]; NIGMS NIH HHS [GM35556] NR 57 TC 86 Z9 87 U1 0 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0303-2647 J9 BIOSYSTEMS JI Biosystems PD FEB-MAR PY 2006 VL 83 IS 2-3 BP 136 EP 151 DI 10.1016/j.biosystems.2005.06.014 PG 16 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 018VR UT WOS:000235793400009 PM 16233948 ER PT J AU Beare, RJ MacVean, MK Holtslag, AAM Cuxart, J Esau, I Golaz, JC Jimenez, MA Khairoutdinov, M Kosovic, B Lewellen, D Lund, TS Lundquist, JK McCabe, A Moene, AF Noh, Y Raasch, S Sullivan, P AF Beare, RJ MacVean, MK Holtslag, AAM Cuxart, J Esau, I Golaz, JC Jimenez, MA Khairoutdinov, M Kosovic, B Lewellen, D Lund, TS Lundquist, JK McCabe, A Moene, AF Noh, Y Raasch, S Sullivan, P TI An intercomparison of large-eddy simulations of the stable boundary layer SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE large-eddy simulation; parametrization; resolution; stable boundary layer; subgrid model ID SHALLOW CUMULUS CONVECTION; SUBGRID MODEL; SENSITIVITY; SURFACE; TRANSITION; RESOLUTION; TURBULENCE; MESOSCALE; CASES-99; FLUXES AB Results are presented from the first intercomparison of large-eddy simulation (LES) models for the stable boundary layer (SBL), as part of the Global Energy and Water Cycle Experiment Atmospheric Boundary Layer Study initiative. A moderately stable case is used, based on Arctic observations. All models produce successful simulations, in as much as they generate resolved turbulence and reflect many of the results from local scaling theory and observations. Simulations performed at 1-m and 2-m resolution show only small changes in the mean profiles compared to coarser resolutions. Also, sensitivity to subgrid models for individual models highlights their importance in SBL simulation at moderate resolution (6.25 m). Stability functions are derived from the LES using typical mixing lengths used in numerical weather prediction (NWP) and climate models. The functions have smaller values than those used in NWP. There is also support for the use of K-profile similarity in parametrizations. Thus, the results provide improved understanding and motivate future developments of the parametrization of the SBL. C1 Wageningen Univ, Wageningen, Netherlands. Univ Illes Balears, Palma de Mallorca, Spain. USN, Res Lab, Natl Res Council, Monterey, CA USA. Colorado State Univ, Ft Collins, CO 80523 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. W Virginia Univ, Morgantown, WV 26506 USA. Yonsei Univ, Seoul 120749, South Korea. Univ Hannover, D-30167 Hannover, Germany. EM bob.beare@metoffice.com RI Lewellen, David/B-1453-2008; Moene, Arnold/B-3212-2010; Esau, Igor/C-6298-2008; Golaz, Jean-Christophe/D-5007-2014; Jimenez, Maria/K-8724-2015; Holtslag, Albert/B-7842-2010; OI Moene, Arnold/0000-0003-3614-8544; Esau, Igor/0000-0003-4122-6340; Golaz, Jean-Christophe/0000-0003-1616-5435; Jimenez, Maria/0000-0002-8411-5512; Holtslag, Albert/0000-0003-0995-2481; LUNDQUIST, JULIE/0000-0001-5490-2702 NR 41 TC 202 Z9 205 U1 5 U2 39 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD FEB PY 2006 VL 118 IS 2 BP 247 EP 272 DI 10.1007/s10546-004-2820-6 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 057YT UT WOS:000238631800002 ER PT J AU Cuxart, J Holtslag, AAM Beare, RJ Bazile, E Beljaars, A Cheng, A Conangla, L Ek, M Freedman, F Hamdi, R Kerstein, A Kitagawa, H Lenderink, G Lewellen, D Mailhot, J Mauritsen, T Perov, V Schayes, G Steeneveld, GJ Svensson, G Taylor, P Weng, W Wunsch, S Xu, KM AF Cuxart, J Holtslag, AAM Beare, RJ Bazile, E Beljaars, A Cheng, A Conangla, L Ek, M Freedman, F Hamdi, R Kerstein, A Kitagawa, H Lenderink, G Lewellen, D Mailhot, J Mauritsen, T Perov, V Schayes, G Steeneveld, GJ Svensson, G Taylor, P Weng, W Wunsch, S Xu, KM TI Single-column model intercomparison for a stably stratified atmospheric boundary layer SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE GABLS; intercomparison; mixing coefficients; single-column models; stably stratified flows; turbulence parameterizations ID TURBULENCE CLOSURE-MODEL; LARGE-EDDY SIMULATION; PART I; SCHEME; PARAMETERIZATION; FORMULATION; DIFFUSION; DYNAMICS; SURFACES; SYSTEM AB The parameterization of the stably stratified atmospheric boundary layer is a difficult issue, having a significant impact on medium-range weather forecasts and climate integrations. To pursue this further, a moderately stratified Arctic case is simulated by nineteen single-column turbulence schemes. Statistics from a large-eddy simulation intercomparison made for the same case by eleven different models are used as a guiding reference. The single-column parameterizations include research and operational schemes from major forecast and climate research centres. Results from first-order schemes, a large number of turbulence kinetic energy closures, and other models were used. There is a large spread in the results; in general, the operational schemes mix over a deeper layer than the research schemes, and the turbulence kinetic energy and other higher-order closures give results closer to the statistics obtained from the large-eddy simulations. The sensitivities of the schemes to the parameters of their turbulence closures are partially explored. C1 Univ Illes Balears, Dept Fis, E-07071 Palma de Mallorca, Spain. Wageningen Univ, Meteorol & Air Qual Sect, Wageningen, Netherlands. Meteo France, Toulouse, France. European Ctr Medium Range Weather Forecast, Reading, Berks, England. NASA, Langley Res Ctr, Hampton, VA 23665 USA. Univ Politecn Catalunya, Dept Fis Aplicada, Manresa, Spain. NOAA, NCEP, Camp Springs, MD USA. Univ Catholique Louvain, IAG G Lemaitre, B-1348 Louvain, Belgium. Sandia Natl Labs, Livermore, CA 94550 USA. Japan Meteorol Agcy, Tokyo, Japan. Royal Netherlands Meteorol Inst, KNMI, NL-3730 AE De Bilt, Netherlands. W Virginia Univ, Morgantown, WV 26506 USA. Meteorol Serv Canada, Dorval, PQ, Canada. Stockholm Univ, Dept Meteorol, S-10691 Stockholm, Sweden. Swedish Meteorol & Hydrol Inst, Norrkoping, Sweden. York Univ, N York, ON M3J 1P3, Canada. RP Cuxart, J (reprint author), Univ Illes Balears, Dept Fis, E-07071 Palma de Mallorca, Spain. EM joan.cuxart@uib.es RI Steeneveld, Gert-Jan/B-2816-2010; Lewellen, David/B-1453-2008; Xu, Kuan-Man/B-7557-2013; Mauritsen, Thorsten/G-5880-2013; Holtslag, Albert/B-7842-2010; OI Steeneveld, Gert-Jan/0000-0002-5922-8179; Xu, Kuan-Man/0000-0001-7851-2629; Mauritsen, Thorsten/0000-0003-1418-4077; Holtslag, Albert/0000-0003-0995-2481; lenderink, geert/0000-0002-1572-4867 NR 49 TC 145 Z9 147 U1 2 U2 30 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD FEB PY 2006 VL 118 IS 2 BP 273 EP 303 DI 10.1007/s10546-005-3780-1 PG 31 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 057YT UT WOS:000238631800003 ER PT J AU Kerstein, AR Wunsch, S AF Kerstein, AR Wunsch, S TI Simulation of a stably stratified atmospheric boundary layer using one-dimensional turbulence SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE atmospheric boundary layer; GABLS; stable boundary layer; turbulence modelling ID LARGE-EDDY-SIMULATION; MODEL; CONVECTION; FORMULATION; CLOSURE; FLOWS AB One-dimensional turbulence (ODT) is a single-column simulation in which vertical motions are represented by an unsteady advective process, rather than their customary representation by a diffusive process. No space or time averaging of mesh-resolved motions is invoked. Molecular-transport scales can be resolved in ODT simulations of laboratory-scale flows, but this resolution of these scales is prohibitively expensive in ODT simulations of the atmospheric boundary layer (ABL), except possibly in small subregions of a non-uniform mesh. Here, two methods for ODT simulation of the ABL on uniform meshes are described and applied to the GABLS (GEWEX Atmospheric Boundary Layer Study; GEWEX is the Global Energy and Water Cycle Experiment) stable boundary-layer intercomparison case. One method involves resolution of the roughness scale using a fixed eddy viscosity to represent subgrid motions. The other method, which is implemented at lower spatial resolution, involves a variable eddy viscosity determined by the local mesh-resolved flow, as in multi-dimensional large-eddy simulation (LES). When run at typical LES resolution, it reproduces some of the key high-resolution results, but its fidelity is lower in some important respects. It is concluded that a more elaborate empirically based representation of the subgrid physics, closely analogous to closures currently employed in LES of the ABL, might improve its performance substantially, yielding a cost-effective ABL simulation tool. Prospects for further application of ODT to the ABL, including possible use of ODT as a near-surface subgrid closure framework for general circulation modeling, are assessed. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Kerstein, AR (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM arkerst@sandia.gov NR 18 TC 19 Z9 19 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD FEB PY 2006 VL 118 IS 2 BP 325 EP 356 DI 10.1007/s10546-005-9004-x PG 32 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 057YT UT WOS:000238631800005 ER PT J AU Dabberdt, WF Carroll, MA Appleby, W Baumgardner, D Carmichael, G Davidson, P Doran, JC Dye, TS Grimmond, S Middleton, P Neff, W Zhang, Y AF Dabberdt, WF Carroll, MA Appleby, W Baumgardner, D Carmichael, G Davidson, P Doran, JC Dye, TS Grimmond, S Middleton, P Neff, W Zhang, Y TI USWRP workshop on air quality forecasting SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Editorial Material C1 Vaisala Inc, Boulder, CO 80307 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Meteorol Serv Canada, Dartmouth, NS, Canada. Univ Nacl Autonoma Mexico, Mexico City 04510, DF, Mexico. Univ Iowa, Iowa City, IA USA. Ocean & Atmospher Adm, Natl Weather Serv, Silver Spring, MD USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Sonoma Technol Inc, Petaluma, CA USA. Indiana Univ, Bloomington, IN USA. Panorama Pathways, Boulder, CO USA. NOAA, Ocean & Atmospher Res, Boulder, CO USA. Atmospher & Environm Res Inc, San Ramon, CA USA. RP Dabberdt, WF (reprint author), Vaisala Inc, POB 3659, Boulder, CO 80307 USA. EM walter.dabberdt@vaisala.com RI Grimmond, Sue/A-2179-2009; Neff, William/E-2725-2010 OI Grimmond, Sue/0000-0002-3166-9415; Neff, William/0000-0003-4047-7076 NR 1 TC 4 Z9 5 U1 0 U2 2 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 FEB PY 2006 VL 87 IS 2 BP 215 EP 221 DI 10.1175/BAMS-87-2-215 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 021CW UT WOS:000235962000016 ER PT J AU Park, CC Zhang, H Paravicini, M Gray, JW Baehner, F Park, CJ Bissell, MJ AF Park, CC Zhang, H Paravicini, M Gray, JW Baehner, F Park, CJ Bissell, MJ TI beta(1) integrin inhibitory antibody induces apoptosis of breast cancer cells, inhibits growth, and distinguishes malignant from normal phenotype in three dimensional cultures and in vivo SO CANCER RESEARCH LA English DT Article ID SIGNALING PATHWAYS; TUMOR-CELLS; DNA-DAMAGE; EXPRESSION; RECEPTOR; BETA-1-INTEGRIN; CHEMOTHERAPY; MODULATION; RESISTANCE; CARCINOMA AB Current therapeutic approaches to cancer are designed to target molecules that contribute to malignant behavior but leave normal tissues intact. 01 integrin is a candidate target well known for mediating cell-extracellular matrix (ECM) interactions that influence diverse cellular functions; its aberrant expression has been implicated in breast cancer progression and resistance to cytotoxic therapy. The addition of beta(1) integrin inhibitory agents to breast cancer cells at a single-cell stage in a laminin-rich ECM (three-dimensional 1rECM) culture was shown to down-modulate beta(1), integrin signaling, resulting in malignant reversion. To investigate beta(1) integrin as a therapeutic target, we modified the three-dimensional IrECM protocol to approximate the clinical situation: before treatment, we allowed nonmalignant cells to form organized acinar structures and malignant cells to form tumor-like colonies. We then tested the ability of beta(1) integrin inhibitory antibody, AII beta 2, to inhibit tumor cell growth in several breast cancer cell lines (T4-2, MDA-MB-231, BT474, SKBR3, and MCF-7) and one nonmalignant cell line (S-1). We show that % integrin inhibition resulted in a significant loss of cancer cells, associated with a decrease in proliferation and increase in apoptosis, and a global change in the composition of residual colonies. In contrast, nonmalignant cells that formed tissue-like structures remained resistant. Moreover, these cancer cell-specific antiproliferative and proapoptotic effects were confirmed in vivo with no discernible toxicity to animals. Our findings indicate that, integrin is a promising therapeutic target, and that the three-dimensional IrECM culture assay can be used to effectively distinguish malignant and normal tissue response to therapy. C1 Univ Calif San Francisco, Mt Zion Canc Ctr, Dept Radiat Oncol, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Pathol, San Francisco, CA 94143 USA. Ernest Orlando Lawrence Berkeley Nayl Lab, Div Life Sci, Berkeley, CA USA. Univ Calif, Sch Nat Sci, Merced, CA USA. San Diego State Univ, Dept Math & Stat, San Diego, CA 92182 USA. RP Park, CC (reprint author), Univ Calif San Francisco, Mt Zion Canc Ctr, Dept Radiat Oncol, 1600 Divisadero St H1031, San Francisco, CA 94143 USA. EM park@radonc17.ucsf.edu FU NCI NIH HHS [R01 CA064786-09, CA 64786-09, P50 CA 112970-01, P50 CA 58207-08, P50 CA058207, R01 CA064786, R01 CA124891, R37 CA064786, U54 CA112970, U54 CA112970-01] NR 50 TC 192 Z9 200 U1 1 U2 12 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD FEB 1 PY 2006 VL 66 IS 3 BP 1526 EP 1535 DI 10.1158/0008-5472.CAN-05-3071 PG 10 WC Oncology SC Oncology GA 009FD UT WOS:000235095900036 PM 16452209 ER PT J AU Soong, Y Gamwo, IK Romanov, V Dilmore, RM Hedges, SW AF Soong, Y Gamwo, IK Romanov, V Dilmore, RM Hedges, SW TI Design of an adapter for ultrasound transducer under high operating temperatures and pressures in a slurry bubble column reactor SO CHEMICAL ENGINEERING RESEARCH & DESIGN LA English DT Article DE ultrasound; bubble column reactor; temperature; pressure; hydrodynamic parameters ID 3-PHASE FLUIDIZED-BED; GAS; DISTRIBUTIONS; HOLDUPS; SIZE AB This paper describes the design of an apparatus that enables ultrasound measurements in a slurry bubble column at industrially-relevant operating conditions of high temperatures and pressures. Preliminary results demonstrate that ultrasound measurements can be conducted at temperatures LIP to 200 degrees C, at pressures up to 1.36 MPa, and at superficial gas velocities of up to cms(-1) in the nitrogen-Drakeol system. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Soong, Y (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM soong@netl.doe.gov RI Romanov, Vyacheslav/C-6467-2008 OI Romanov, Vyacheslav/0000-0002-8850-3539 NR 24 TC 1 Z9 1 U1 0 U2 2 PU INST CHEMICAL ENGINEERS PI RUGBY PA 165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND SN 0263-8762 J9 CHEM ENG RES DES JI Chem. Eng. Res. Des. PD FEB PY 2006 VL 84 IS A2 BP 133 EP 138 DI 10.1205/cherd.05120 PG 6 WC Engineering, Chemical SC Engineering GA 035NF UT WOS:000237007300006 ER PT J AU Kim, J Grate, JW Wang, P AF Kim, J Grate, JW Wang, P TI Nanostructures for enzyme stabilization SO CHEMICAL ENGINEERING SCIENCE LA English DT Review DE enzyme stabilization; nanostructures; enzyme adsorption; covalent attachment; nanoparticles; nanofibers; mesoporous silica; sol-gel; enzyme encapsulation; single enzyme nanoparticles ID MESOPOROUS MOLECULAR-SIEVES; SOL-GEL MATERIALS; CATALYTIC ACTIVITY; IMMOBILIZED ENZYMES; ALPHA-CHYMOTRYPSIN; PROTEIN STABILITY; ORGANIC-SOLVENTS; SILICA SUPPORT; MAGNETIC NANOPARTICLES; ALUMINUM INCORPORATION AB Recent breakthroughs in nanotechnology have made various nanostructured materials more affordable for a broader range of applications. Although we are still at the beginning of exploring the use of these materials for biocatalysis, various nanostructures have been examined as hosts for enzyme immobilization via approaches including enzyme adsorption, covalent attachment, enzyme encapsulation, and sophisticated combinations of methods. This review discusses the stabilization mechanisms behind these diverse approaches; such as confinement, pore size and volume, charge interaction, hydrophobic interaction, and multipoint attachment. In particular, we will review recently reported approaches to improve the enzyme stability in various nanostructures such as nanoparticles, nanofibers, mesoporous materials, and single enzyme nanoparticles (SENs). In the form of SENs, each enzyme molecule is surrounded with a nanometer scale network, resulting in stabilization of enzyme activity without any serious limitation for the substrate transfer from solution to the active site. SENs can be further immobilized into mesoporous silica with a large surface area, providing a hierarchical approach for stable, immobilized enzyme systems for various applications, such as bioconversion, bioremediation, and biosensors. (c) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Akron, Dept Chem Engn, Akron, OH 44325 USA. RP Kim, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Jungbae.Kim@pnl.gov; jwgrate@pnl.gov; wangp@uakron.edu NR 79 TC 501 Z9 516 U1 41 U2 336 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD FEB PY 2006 VL 61 IS 3 BP 1017 EP 1026 DI 10.1016/j.ces.2005.05.067 PG 10 WC Engineering, Chemical SC Engineering GA 991LD UT WOS:000233814600011 ER PT J AU Kim, H Kaczmarski, K Guiochon, G AF Kim, H Kaczmarski, K Guiochon, G TI Intraparticle mass transfer kinetics on molecularly imprinted polymers of structural analogues of a template SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE Fmoc-L-tryptophan imprinted polymers; frontal analysis; tri-Langmuir isotherm model; lumped pore diffusion model; intraparticle mass transfer; peak profiles; surface diffusion model; isosteric heat of adsorption ID CHROMATOGRAPHIC BAND PROFILES; STATIONARY-PHASE; CONCENTRATION-DEPENDENCE; ENANTIOMERIC SEPARATION; SURFACE-DIFFUSION; FRONTAL ANALYSIS; COEFFICIENT; DISPERSION; COLUMNS; MODEL AB The intraparticle mass transfer kinetics of the structural analogues of a template on a Fmoc-L-Tryptophan (Fmoc-L-Trp) imprinted polymer (MIP) and on the corresponding non-imprinted polymer (NIP) were quantitatively studied using the lumped pore diffusion model (POR) of chromatography. The best equilibrium isotherm models of these compounds were used to calculate the high-concentration band profiles of different substrates on the MIP and the NIP with the POR model. These profiles were compared to experimental band profiles. The numerical values of the intraparticle pore and surface diffusion coefficients were adjusted to determine those that minimized the differences between calculated and experimental profiles. The results of this exercise show that surface diffusion is the dominant intraparticle mass transfer process for the substrates on the polymers and that the energetic heterogeneity of the surface should be considered in accounting for the surface diffusion of the L-enantiomers on the MIP. The surface diffusion coefficient increases with decreasing overall affinity of each substrate for the polymers. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Rzeszow Univ Technol, Fac Chem, PL-35959 Rzeszow, Poland. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 33 TC 22 Z9 23 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD FEB PY 2006 VL 61 IS 4 BP 1122 EP 1137 DI 10.1016/j.ces.2005.08.012 PG 16 WC Engineering, Chemical SC Engineering GA 007KR UT WOS:000234968200006 ER PT J AU Che, XL Zhu, SJ Hamilton, JH Ramayya, AV Hwang, JK Rasmussen, JO Luo, YX Chen, YJ Li, ML Ding, HB U, YN Lee, IY Ma, WC AF Che, XL Zhu, SJ Hamilton, JH Ramayya, AV Hwang, JK Rasmussen, JO Luo, YX Chen, YJ Li, ML Ding, HB U, YN Lee, IY Ma, WC TI High spin band structure in Ru-112 SO CHINESE PHYSICS LETTERS LA English DT Article ID COLLECTIVE BANDS; NUCLEUS; ISOTOPES; STATES AB Levels in the neutron-rich Ru-112 nucleus have been investigated by observing prompt gamma-rays from the spontaneous fission of Cf-252 with the Gammasphere detector array. The ground-state band and the one-phonon gamma-vibrational band have been confirmed and extended with spin up to 16 h and 15 h, respectively. The other two side bands, one proposed as two-phonon gamma-vibrational band and the other proposed as two-quasiparticle band, have been observed for the first time. The total-Routhian-surface calculations show that rotational 112Ru nucleus has triaxial deformation with parameters beta(2) similar to 0.27 and gamma = -29 degrees. The observed band crossing in the yrast band is due to the alignment of a pair of h(11/2) neutrons according to the cranked shell model calculations. The possible configuration for the quasiparticle band has also been discussed. C1 Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Mississippi State Univ, Dept Phys, Mississippi State, MS 39762 USA. RP Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. EM chexl02@mails.tsinghua.edu.cn NR 19 TC 17 Z9 21 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0256-307X EI 1741-3540 J9 CHINESE PHYS LETT JI Chin. Phys. Lett. PD FEB PY 2006 VL 23 IS 2 BP 328 EP 331 PG 4 WC Physics, Multidisciplinary SC Physics GA 011GC UT WOS:000235255200015 ER PT J AU Ji, N Shen, YR AF Ji, N Shen, YR TI A novel spectroscopic probe for molecular chirality SO CHIRALITY LA English DT Article; Proceedings Paper CT Symposium on Molecular Chirality 2005 (MC2005) CY JUN 07-08, 2005 CL Osaka, JAPAN DE optically active sum frequency generation; second-order nonlinear optical effects; chiral sum frequency generation; coupled oscillator model; dynamic coupling model; linear optical activity; absolute configuration ID FREQUENCY VIBRATIONAL SPECTROSCOPY; NONLINEAR-OPTICAL SPECTROSCOPY; 2ND HARMONIC-GENERATION; CIRCULAR-DICHROISM; AMINO-ACIDS; ROTATORY DISPERSION; VACUUM-ULTRAVIOLET; C-C; BONDS; INTERFACES AB Recent advances in developing sum frequency generation (SFG) as a novel spectroscopic probe for molecular chirality are reviewed. The basic principle underlying the technique is briefly described, in comparison with circular dichroism (CD). The significantly better sensitivity of the technique than CD is pointed out, and the reason is discussed. Bi-naphthol (BN) and amino acids are used as representatives for two different types of chiral molecules; the measured chirality in their electronic transitions can be understood by two different molecular models, respectively, that are extensions of models developed earlier for CD. Optically active or chiral SFG from vibrational transitions are weaker, but with the help of electronic-vibrational double resonance, the vibrational spectrum of a monolayer of BN has been obtained. Generally, optically active SFG is sufficiently sensitive to be employed to probe in-situ chirality of chiral monolayers and thin films. (c) 2006 Wiley-Liss, Inc. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA USA. RP Shen, YR (reprint author), Univ Calif Berkeley, Dept Phys, 366 Conte Hall 7300, Berkeley, CA 94720 USA. EM yrshen@calmail.berkeley.edu NR 44 TC 25 Z9 25 U1 3 U2 24 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0899-0042 J9 CHIRALITY JI Chirality PD FEB PY 2006 VL 18 IS 3 BP 146 EP 158 DI 10.1002/chir.20238 PG 13 WC Chemistry, Medicinal; Chemistry, Analytical; Chemistry, Organic; Pharmacology & Pharmacy SC Pharmacology & Pharmacy; Chemistry GA 016UK UT WOS:000235645800002 PM 16432921 ER PT J AU Seabaugh, JL Dong, HL Kukkadapu, RK Eberl, DD Morton, JP Kim, J AF Seabaugh, JL Dong, HL Kukkadapu, RK Eberl, DD Morton, JP Kim, J TI Microbial reduction of Fe(III) in the Fithian and Muloorina illites: Contrasting extents and rates of bioreduction SO CLAYS AND CLAY MINERALS LA English DT Article DE CN32; Fithian; illite; microbial Fe(III) reduction; Mossbauer spectroscopy; Muloorina; Shewanella putrefaciens ID HYDROUS FERRIC-OXIDE; STRUCTURAL FE(III); FE(III)-REDUCING BACTERIUM; CLAY-MINERALS; SMECTITE; IRON(III); GOETHITE; PHASE; IRON; BIOTRANSFORMATION AB Shewanella putrejaciens CN32 reduces Fe(III) within two illites which have different properties: the Fithian bulk fraction and the < 0.2 mu m fraction of Muloorina. The Fithian illite contained 4.6% (w/w) total Fe, 81% of which was Fc(III). It was dominated by illite with some jarosite (similar to 32% of the total Fe(III)) and goethite (11% of the total Fe(III)). The Muloorina illite was pure and contained 9.2% Fe, 93% of which was Fe(III). Illite suspensions were buffered at pH 7 and were inoculated with CN32 cells with lactate as the electron donor. Select treatments included anthraquinone-2,6-disulfonate (AQDS) as ail electron shuttle. Bioproduction of Fe(II) was determined by ferrozine analysis. The unreduced and bioreduced solids were characterized by Mossbauer spectroscopy, X-ray diffraction and transmission electron microscopy. The extent of Fe(III) reduction in the bulk Fithian illite was enhanced by the presence of AQDS (73%) with complete reduction of jarosite and goethite and partial reduction of illite. Mossbauer spectroscopy and chemical extraction determined that 21-25% of illite-associated Fc(III) was bioreduced. The extent of bioreduction was less in the absence of AQDS (63%) and only jarosite was completely reduced with partial reduction of goethite and illite. The XRD and TEM data revealed no significant illite dissolution or biogenic minerals, suggesting that illite was reduced in the solid state and biogenic Fe(II) from jarosite and goethite was either released to aqueous Solution or adsorbed onto residual solid surfaces. In contrast, only 1% of the structural Fe(III) in Muloorina illite was bioreduced. The difference in the extent and rate of bioreduction between the two illites was probably due to the difference in layer charge and the total structural Fe content between the Fithian illite (0.56 per formula) and Muloorma illite (0.87). There may be other factors contributing to the observed differences, such as expandability, surface area and the arrangements of Fe in the octahedral sheets. The results of this study have important implications for predicting microbe-induced physical and chemical changes of clay minerals in soils and sediments. C1 Miami Univ, Dept Geol, Oxford, OH 45056 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. US Geol Survey, Boulder, CO 80303 USA. USN, Res Lab, Seafloor Sci Branch, Stennis Space Ctr, MS 39529 USA. RP Dong, HL (reprint author), Miami Univ, Dept Geol, Oxford, OH 45056 USA. EM dongh@muohio.edu NR 33 TC 27 Z9 27 U1 1 U2 15 PU CLAY MINERALS SOCIETY PI AURORA PA PO BOX 460130, AURORA, CO 80046-0130 USA SN 0009-8604 J9 CLAY CLAY MINER JI Clay Clay Min. PD FEB PY 2006 VL 54 IS 1 BP 67 EP 79 DI 10.1346/CCMN.2006.0540109 PG 13 WC Chemistry, Physical; Geosciences, Multidisciplinary; Mineralogy; Soil Science SC Chemistry; Geology; Mineralogy; Agriculture GA 021XL UT WOS:000236019100009 ER PT J AU Lipnikov, K Shashkov, M AF Lipnikov, Konstantin Shashkov, Mikhail TI The error-minimization-based strategy for moving mesh methods SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS LA English DT Article DE moving meshes; Burgers' equation; error estimates ID FINITE-ELEMENT-METHOD; PARTIAL-DIFFERENTIAL-EQUATIONS; HYPERBOLIC CONSERVATION-LAWS; EULERIAN COMPUTING METHOD; ADAPTIVE-GRID GENERATION; HARMONIC MAPS; FLOW SPEEDS; ADAPTATION; EQUIDISTRIBUTION; HYDRODYNAMICS AB The typical elements in a numerical simulation of fluid flow using moving meshes are a time integration scheme, a rezone method in which a new mesh is defined, and a remapping (conservative interpolation) in which a solution is transferred to the new mesh. The objective of the rezone method is to move the computational mesh to improve the robustness, accuracy and eventually efficiency of the simulation. In this paper, we consider the one-dimensional viscous Burgers' equation and describe a new rezone strategy which minimizes the L-2 norm of error and maintains mesh smoothness. The efficiency of the proposed method is demonstrated with numerical examples. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lipnikov, K (reprint author), Los Alamos Natl Lab, MS B284, Los Alamos, NM 87545 USA. EM lipnikov@lanl.gov NR 63 TC 20 Z9 21 U1 0 U2 2 PU GLOBAL SCIENCE PRESS PI WANCHAI PA ROOM 2303, OFFICER TOWER, CONVENTION PLAZA, 1 HARBOUR ROAD, WANCHAI, HONG KONG 00000, PEOPLES R CHINA SN 1815-2406 J9 COMMUN COMPUT PHYS JI Commun. Comput. Phys. PD FEB PY 2006 VL 1 IS 1 BP 53 EP 80 PG 28 WC Physics, Mathematical SC Physics GA 094HQ UT WOS:000241230900002 ER PT J AU Lin, WY Frei, H AF Lin, WY Frei, H TI Bimetallic redox sites for photochemical CO2 splitting in mesoporous silicate sieve SO COMPTES RENDUS CHIMIE LA English DT Article; Proceedings Paper CT 15th International Conference on Photochemical Conversion and Storage of Solar Energy CY JUL 04-07, 2004 CL Paris, FRANCE DE mesoporous silicate; metal-to-metal charge transfer; bimetallic site; carbon dioxide photoreduction; artificial photosynthesis; visible light ID CARBON-DIOXIDE; REDUCTION; COMPLEXES; SURFACE; H2O; ACTIVATION; CATALYSTS; LIGHT; PHOTOCATALYSIS; PHOTOREDUCTION AB Binuclear redox sites consisting of a Ti or Zr oxo-bridged to a Cu(I) or Sn(II) center have been covalently anchored on the pore surface of MCM-41 silicate sieve by a stepwise grafting procedure. The bimetallic sites feature a metal-to-metal charge-transfer (MMCT) absorption extending deep into the visible region. Covalent anchoring is manifested by low-frequency infrared modes. Irradiation of the MMCT chromophore of ZrCu(I)-MCM-41 loaded with 1 atm of CO2 gas at RT resulted in growth of CO (2150 cm(-1)) and H2O (1600 cm(-1)). Photolysis experiments using (CO2)-C-13 and (CO2)-O-18 demonstrate that carbon monoxide and the oxygen atom of the water product originate from CO2, indicating splitting of the CO2 upon excitation of the MMCT moiety. This is the first observation of CO2 photoreduction at a binuclear MMCT site at the gas-solid interface. C1 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, Mail Stop Calvin Lab, Berkeley, CA 94720 USA. EM HMFrei@lbl.gov NR 26 TC 28 Z9 28 U1 0 U2 16 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD FEB PY 2006 VL 9 IS 2 BP 207 EP 213 DI 10.1016/j.crci.2005.05.023 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 009HJ UT WOS:000235102100006 ER PT J AU Aroutiounian, VM Arakelyan, VM Shahnazaryan, GE Stepanyan, GM Khachaturyan, EA Turner, JA AF Aroutiounian, VM Arakelyan, VM Shahnazaryan, GE Stepanyan, GM Khachaturyan, EA Turner, JA TI Investigations of the structure of the iron oxide semiconductor-electrolyte interface SO COMPTES RENDUS CHIMIE LA English DT Article; Proceedings Paper CT 15th International Conference on Photochemical Conversion and Storage of Solar Energy CY JUL 04-07, 2004 CL Paris, FRANCE DE iron oxide; ceramic photoelectrode; interface; impedance; equivalent circuits ID IMPEDANCE AB The ceramic semiconductor photoelectrodes made of Fe1.99Sn0.01O3, Fe1.99Nb0.01O3, Fe1.8Nb0.2O3 and FeNbO4 are synthesized. The spectral and current-voltage characteristics of photoelectrodes are measured. The anodic photocurrent onset potential is determined. The threshold photon energies corresponding to the inter-band optical transitions near the edge of the fundamental absorption of the semiconductor photoelectrode are calculated. The analysis of the frequency dispersion of the real and imaginary parts of the complex impedance of photoelectrochemical cell with manufactured electrodes is carried out. On the basis of this analysis. equivalent circuits describing the structure of the double electrical layer on the semiconductor-electrolyte interface are proposed, their parameters are calculated. Main limiting steps of the electrode process are determined. C1 Yerevan State Univ, Yerevan 375025, Armenia. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Aroutiounian, VM (reprint author), Yerevan State Univ, 1 Alek Manookian St, Yerevan 375025, Armenia. EM kisahar@ysu.am; jturner@nrel.gov NR 11 TC 8 Z9 8 U1 1 U2 8 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 EI 1878-1543 J9 CR CHIM JI C. R. Chim. PD FEB PY 2006 VL 9 IS 2 BP 325 EP 331 DI 10.1016/j.crci.2005.03.029 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 009HJ UT WOS:000235102100021 ER PT J AU McCollum, JM Peterson, GD Cox, CD Simpson, ML Samatova, NF AF McCollum, JM Peterson, GD Cox, CD Simpson, ML Samatova, NF TI The sorting direct method for stochastic simulation of biochemical systems with varying reaction execution behavior SO COMPUTATIONAL BIOLOGY AND CHEMISTRY LA English DT Article DE stochastic simulation; modeling biochemical systems; Gillespie algorithm; gene networks; systems biology ID COUPLED CHEMICAL-REACTIONS; MAMMALIAN CIRCADIAN CLOCK; GENE-EXPRESSION; ALGORITHM; NETWORKS; EQUATION; KINETICS; NOISE; MODEL AB A key to advancing the understanding of molecular biology in the post-genomic age is the development of accurate predictive models for genetic regulation, protein interaction, metabolism, and other biochemical processes. To facilitate model development, simulation algorithms must provide an accurate representation of the system, while performing the simulation in a reasonable amount of time. Gillespie's stochastic simulation algorithm (SSA) accurately depicts spatially homogeneous models with small populations of chemical species and properly represents noise, but it is often abandoned when modeling larger systems because of its computational complexity. In this work, we examine the performance of different versions of the SSA when applied to several biochemical models. Through our analysis, we discover that transient changes in reaction execution frequencies, which are typical of biochemical models with gene induction and repression, can dramatically affect simulator performance. To account for these shifts, we propose a new algorithm called the sorting direct method that maintains a loosely sorted order of the reactions as the simulation executes. Our measurements show that the sorting direct method performs favorably when compared to other well-known exact stochastic simulation algorithms. (C) 2005 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Computat Biol Inst, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Elect & Comp Engn, Knoxville, TN 37996 USA. Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA. Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mol Scale Engn & Nanoscale Technol Res Grp, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Samatova, NF (reprint author), Oak Ridge Natl Lab, Computat Biol Inst, POB 2008,MS6164, Oak Ridge, TN 37831 USA. EM samatovan@ornl.gov RI Simpson, Michael/A-8410-2011; Cox, Chris/A-9451-2013 OI Simpson, Michael/0000-0002-3933-3457; Cox, Chris/0000-0001-9818-5477 NR 37 TC 72 Z9 76 U1 0 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1476-9271 J9 COMPUT BIOL CHEM JI Comput. Biol. Chem. PD FEB PY 2006 VL 30 IS 1 BP 39 EP 49 DI 10.1016/j.compbiolchem.2005.10.007 PG 11 WC Biology; Computer Science, Interdisciplinary Applications SC Life Sciences & Biomedicine - Other Topics; Computer Science GA 014GO UT WOS:000235467800005 PM 16321569 ER PT J AU Fang, YL Yabusaki, SB Yeh, GT AF Fang, YL Yabusaki, SB Yeh, GT TI A general simulator for reaction-based biogeochemical processes SO COMPUTERS & GEOSCIENCES LA English DT Article DE reaction network; BIOGEOCHEM; thermodynamic database; symbolic programming; diagonalization ID TRANSPORT; MODEL; SYSTEMS AB As more complex biogeochemical situations are being investigated (e.g., evolving reactivity, passivation of reactive surfaces, dissolution of sorbates), there is a growing need for biogeochemical simulators to flexibly and facilely address new reaction forms and rate laws. This paper presents an approach that accommodates this need to efficiently simulate general biogeochemical processes, while insulating the user from additional code development. The approach allows for the automatic extraction of fundamental reaction stoichiometry and thermodynamics from a standard chemistry database, and the symbolic entry of arbitrarily complex user-specified reaction forms, rate laws, and equilibria. The user-specified equilibria and kinetic rates (i.e., they are not defined in the format of the standardized database) are interpreted by the Maple V (Waterloo Maple) symbolic mathematical software package. FORTRAN 90 code is then generated by Maple for (1) the analytical Jacobian matrix (if preferred over the numerical Jacobian matrix) used in the Newton-Raphson solution procedure, and (2) the residual functions for governing equations, user-specified equilibrium expressions and rate laws. Matrix diagonalization eliminates the need to conceptualize the system of reactions as a tableau, which comprises a list of components, species, the stoichiometric matrix, and the formation equilibrium constant vector that forms the species from components (Morel and Hering, 1993), while identifying a minimum rank set of basis species with enhanced numerical convergence properties. The newly generated code, which is designed to operate in the BIOGEOCHEM biogeochemical simulator, is then compiled and linked into the BIOGEOCHEM executable. With these features, users can avoid recoding the simulator to accept new equilibrium expressions or kinetic rate laws, while still taking full advantage of the stoichiometry and thermodynamics provided by an existing chemical database. Thus, the approach introduces efficiencies in the specification of biogeochemical reaction networks and eliminates opportunities for mistakes in preparing input files and coding errors. Test problems are used to demonstrate the features of the procedure. (C) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Cent Florida, Dept Civil & Environm Engn, Orlando, FL 32816 USA. RP Fang, YL (reprint author), Pacific NW Natl Lab, POB 999,MS K9-36, Richland, WA 99352 USA. EM yilin.fang@pnl.gov RI Fang, Yilin/J-5137-2015 NR 19 TC 10 Z9 10 U1 2 U2 8 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD FEB PY 2006 VL 32 IS 1 BP 64 EP 72 DI 10.1016/j.cageo.2005.05.003 PG 9 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 006RN UT WOS:000234914700006 ER PT J AU Rasmussen, CE Sottile, MJ Shende, SS Malony, AD AF Rasmussen, CE Sottile, MJ Shende, SS Malony, AD TI Bridging the language gap in scientific computing: the Chasm approach SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT CompFrame 2003 Workshop CY FEB, 2003 CL Utrecht, NETHERLANDS DE Fortran 95; C; C plus; language interoperability; XML; compilers AB Chasm is a toolkit providing seamless language interoperability between Fortran 95 and C++. Language interoperability is important to scientific programmers because scientific applications are predominantly written in Fortran, while software tools are mostly written in C++. Two design features differentiate Chasm from other related tools. First, we avoid the common-denominator type systems and programming models found in most Interface Definition Language (IDL)-based interoperability systems. Chasm uses the intermediate representation generated by a compiler front-end for each supported language as its source of interface information instead of an IDL. Second, bridging code is generated for each pairwise language binding, removing the need for a common intermediate data representation and multiple levels of indirection between the caller and callee. These features make Chasm a simple system that performs well, requires minimal user intervention and, in most instances, bridging code generation can be performed automatically. Chasm is also easily extensible and highly portable. Copyright (c) 2005 John Wiley & Sons,Ltd. C1 Los Alamos Natl Lab, Adv Comp Lab, Los Alamos, NM 87545 USA. Univ Oregon, Dept Comp & Informat Sci, Eugene, OR 97403 USA. RP Los Alamos Natl Lab, Adv Comp Lab, CCS-1,B287, Los Alamos, NM 87545 USA. EM crasmussen@lanl.gov NR 28 TC 6 Z9 6 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1532-0626 EI 1532-0634 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD FEB PY 2006 VL 18 IS 2 BP 151 EP 162 DI 10.1002/cpe.909 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 004GK UT WOS:000234739800003 ER PT J AU Armstrong, R Kumfert, G McInnes, LC Parker, S Allan, B Sottile, M Epperly, T Dahlgren, T AF Armstrong, R Kumfert, G McInnes, LC Parker, S Allan, B Sottile, M Epperly, T Dahlgren, T TI The CCA component model for high-performance scientific computing SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT CompFrame 2003 Workshop CY FEB, 2003 CL Utrecht, NETHERLANDS DE component; parallel computing; framework; design patterns AB The Common Component Architecture (CCA) is a component model for high-performance computing, developed by a grass-roots effort of computational scientists. Although the CCA is usable with CORBA-like distributed-object components, its main purpose is to set forth a component model for high-performance, parallel computing. Traditional component models are not well suited for performance and massive parallelism. We outline the design pattern for the CCA component model, discuss our strategy for language interoperability, describe the development tools we provide, and walk through an illustrative example using these tools. Performance and scalability, which are distinguishing features of CCA components, affect choices throughout design and implementation. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Argonne Natl Lab, Argonne, IL USA. Univ Utah, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Armstrong, R (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM rob@sandia.gov NR 26 TC 25 Z9 25 U1 0 U2 4 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 FEB PY 2006 VL 18 IS 2 BP 215 EP 229 DI 10.1002/cpe.911 PG 15 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 004GK UT WOS:000234739800008 ER PT J AU Shu, QS Cheng, GF Susta, JT Hull, JR Fesmire, JE Augustanowicz, SD Demko, JA Werfel, FN AF Shu, QS Cheng, GF Susta, JT Hull, JR Fesmire, JE Augustanowicz, SD Demko, JA Werfel, FN TI Magnetic levitation technology and its applications in exploration projects SO CRYOGENICS LA English DT Article; Proceedings Paper CT 22nd Space Cryogenics Workshop (SCW) CY AUG 25-26, 2005 CL Colorado Springs, CO SP Gooddard Space Flight Ctr DE magnetic levitation; high T-c superconductors; cryostats; space cryogenics; superconducting bearings ID TRANSFER LINE AB An energy efficient cryogenic transfer line with magnetic suspension has been prototyped and cryogenically tested. The prototype transfer line exhibits cryogen saving potential of 30-35% in its suspension state as compared to its solid support state. Key technologies developed include novel magnetic levitation using multiple-pole high temperature superconductor (HTS) and rare earth permanent-magnet (PM) elements and a smart cryogenic actuator as the warm support structure. These technologies have vast applications in extremely low thermal leak cryogenic storage/delivery containers, superconducting magnetic bearings, smart thermal switches, etc. This paper reviews the development work and discusses future applications of established technologies. (C) 2005 Elsevier Ltd. All rights reserved. C1 AMAC Int Inc, Newport News, VA 23606 USA. NASA, Sierra Lobo Inc, KSC, Kennedy Space Ctr, FL 32899 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. Adelwitz Technol Zentrum GmbH, D-04886 Arzberg, Germany. RP Shu, QS (reprint author), AMAC Int Inc, Newport News, VA 23606 USA. EM qsshu@amacintl.com NR 11 TC 8 Z9 10 U1 0 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0011-2275 J9 CRYOGENICS JI Cryogenics PD FEB-MAR PY 2006 VL 46 IS 2-3 BP 105 EP 110 DI 10.1016/j.cryogenics.2005.10.009 PG 6 WC Thermodynamics; Physics, Applied SC Thermodynamics; Physics GA 022YP UT WOS:000236092400006 ER PT J AU Custelcean, R Moyer, BA Bryantsev, VS Hay, BP AF Custelcean, R Moyer, BA Bryantsev, VS Hay, BP TI Anion coordination in metal-organic frameworks functionalized with urea hydrogen-bonding groups SO CRYSTAL GROWTH & DESIGN LA English DT Article ID BUILDING UNITS; NETWORK SOLIDS; BASIS-SETS; EXCHANGE; DESIGN; POLYMERS; ATOMS; APPROXIMATION; RECOGNITION; STRATEGIES AB A series of metal-organic frameworks (MOFs) functionalized with urea hydrogen-bonding groups has been synthesized and structurally analyzed by single-crystal X-ray diffraction to evaluate the efficacy of anion coordination by urea within the structural constraints of the MOFs. We found that urea-based functionalities may be used for anion binding within metal-organic frameworks when the tendency for urea(...)urea self-association is decreased by strengthening the intramolecular (CHO)-O-... hydrogen bonding of N-phenyl substituents to the carbonyl oxygen atom. Theoretical calculations indicate that N,N'-bis(in-pyridyl)urea (BPU) and N,N'-bis(in-cyanophenyl)urea (BCPU) should have enhanced hydrogen-bonding donor abilities toward anions and decreased tendencies to self-associate into hydrogen-bonded tapes compared to other disubstituted ureas. Accordingly, BPU and BCPU were incorporated in MOFs as linkers through coordination of various Zn, Cu, and Ag transition metal salts, including Zn(ClO4)(2), ZnSO4, Cu(NO3)(2), Cu(CF3SO3)(2), AgNO3, and AgSO3CH3. Structural analysis by single-crystal X-ray diffraction showed that these linkers are versatile anion binders, capable of chelate hydrogen bonding to all of the oxoanions explored. Anion coordination by the urea functionalities was found to successfully compete with urea self-association in all cases except for that of charge-diffuse perchlorate. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Solominow, Sonia/A-4021-2008; Custelcean, Radu/C-1037-2009; Moyer, Bruce/L-2744-2016; Bryantsev, Vyacheslav/M-5111-2016 OI Custelcean, Radu/0000-0002-0727-7972; Moyer, Bruce/0000-0001-7484-6277; Bryantsev, Vyacheslav/0000-0002-6501-6594 NR 38 TC 81 Z9 83 U1 3 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD FEB PY 2006 VL 6 IS 2 BP 555 EP 563 DI 10.1021/cg0505057 PG 9 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 010WM UT WOS:000235228600033 ER PT J AU Hu, MZ DeBaillie, AC Wei, YY Jellison, GE AF Hu, MZ DeBaillie, AC Wei, YY Jellison, GE TI Chemical-solution deposition of Hafnia films on self-assembled molecular monolayers SO CURRENT NANOSCIENCE LA English DT Article DE thin films; chemical solution deposition; self-assembled monolayer; SAM; self-assembly; nucleation and growth; hafnia; zirconia; ceramics ID CERAMIC THIN-FILMS; LOW-TEMPERATURE DEPOSITION; LIQUID-PHASE DEPOSITION; AQUEOUS-SOLUTIONS; OXIDE-FILMS; SPECTROSCOPIC ELLIPSOMETRY; INORGANIC MATERIALS; ORGANIC INTERFACES; IRON OXYHYDROXIDE; PARTICLE GROWTH AB Hafnia and zirconia films have been synthesized via solution deposition on sulfonate-terminated molecular self-assembled monolayers (SAMs) that are covalently anchored on surfaces of silicon wafers. As-prepared inorganic films, consisting of packed nanoparticles, were formed by heat-induced hydrolysis and condensation in acidic aqueous solutions of hafnium inorganic salt. The effects of several key synthesis process parameters-such as temperature, concentration of the hafnium salt, and acidity (i.e., concentration of added hydrochloric acid)-on the thickness, growth kinetics, and surface features of the films were studied through characterization by ellipsometry, atomic force microscopy, and transmission electron microscopy. In addition, solid particle precipitation in the bulk solutions was investigated with real-time dynamic light scattering and small-angle X-ray scattering techniques (for solid particle nucleation and growth kinetics) as well as with scanning electron microscopy (for visualizing solid size and morphology). The formation of hafnia films occurs right after the induction period, which is the time corresponding to the turbidity appearance due to solid particle formation in the bulk solutions. The initial growth rate of the film increases with increasing temperature and hafnium salt concentration and decreasing hydrochloric acid concentration. Our results suggest that the heterogeneous nucleation and growth mechanism might be responsible for the formation of the first layer of hafnia on the SAM surface. However, under the conditions tested, hafnia films seem to grow thicker mainly by a "cluster growth" mechanism due to adherence of nanoparticles from the bulk solutions. Although decreasing in the rate of nucleation and growth, nanoclusters or nanoparticles (continuously formed after the induction period) can still contribute to film deposition. The effects of process parameters on the film growth rate are consistent with the trend of their effects on particle growth rate in the bulk solutions. Tests of multiple batch deposition on the same surface, suggesting a liquid-flow deposition scheme, show a potential to improve film growth kinetics and to reduce film surface roughness. In comparison with zirconia systems, the hydrolysis and film growth rate for hafnia systems are slower; however, the film characteristics of hafnia are quite similar to those of zirconia. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ N Carolina, Chapel Hill, NC 27599 USA. RP Hu, MZ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM hum1@ornl.gov OI Hu, Michael/0000-0001-8461-9684 NR 81 TC 2 Z9 2 U1 0 U2 13 PU BENTHAM SCIENCE PUBL LTD PI SHARJAH PA EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES SN 1573-4137 J9 CURR NANOSCI JI Curr. Nanosci. PD FEB PY 2006 VL 2 IS 1 BP 13 EP 32 DI 10.2174/157341306775473827 PG 20 WC Biotechnology & Applied Microbiology; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Biotechnology & Applied Microbiology; Science & Technology - Other Topics; Materials Science GA 012DY UT WOS:000235319600003 ER PT J AU Cheng, MMC Cuda, G Bunimovich, YL Gaspari, M Heath, JR Hill, HD Mirkin, CA Nijdam, AJ Terracciano, R Thundat, T Ferrari, M AF Cheng, MMC Cuda, G Bunimovich, YL Gaspari, M Heath, JR Hill, HD Mirkin, CA Nijdam, AJ Terracciano, R Thundat, T Ferrari, M TI Nanotechnologies for biomolecular detection and medical diagnostics SO CURRENT OPINION IN CHEMICAL BIOLOGY LA English DT Review ID SELF-ASSEMBLED MONOLAYERS; ELECTRICAL DETECTION; NANOWIRE NANOSENSORS; NANOPARTICLE PROBES; PROTEIN MICROARRAYS; MASS-SPECTROMETRY; DNA; MICROCANTILEVER; NANOMECHANICS; EXPRESSION AB Nanotechnology-based platforms for the high-throughput, multiplexed detection of proteins and nucleic acids in heretofore unattainable abundance ranges promise to bring substantial advances in molecular medicine. The emerging approaches reviewed in this article, with reference to their diagnostic potential, include nanotextured surfaces for proteomics, a two-particle sandwich assay for the biological amplification of low-concentration biomolecular signals, and silicon-based nanostructures for the transduction of molecular binding into electrical and mechanical signals, respectively. C1 Ohio State Univ, Div Hematol & Oncol, Columbus, OH 43210 USA. Univ Studi Magna Graecia, I-88100 Catanzaro, Italy. CALTECH, Pasadena, CA 91125 USA. Northwestern Univ, Int Inst Nanotechnol, Evanston, IL 60208 USA. Northwestern Univ, Chem Dept, Evanston, IL 60208 USA. Oak Ridge Natl Lab, Nanoscale Sci & Devices Grp, Oak Ridge, TN 37831 USA. RP Ferrari, M (reprint author), Ohio State Univ, Div Hematol & Oncol, 473 W 12 Ave, Columbus, OH 43210 USA. EM ferrari.5@osu.edu RI Mirkin, Chad/E-3911-2010; Gaspari, Marco/C-2756-2009; Cuda, Giovanni/F-5359-2012; OI Gaspari, Marco/0000-0002-5411-8800; Cuda, Giovanni/0000-0001-6313-1866; Terracciano, Rosa/0000-0002-5175-1758 FU NCI NIH HHS [N01-CO-12400] NR 34 TC 270 Z9 279 U1 11 U2 121 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1367-5931 J9 CURR OPIN CHEM BIOL JI Curr. Opin. Chem. Biol. PD FEB PY 2006 VL 10 IS 1 BP 11 EP 19 DI 10.1016/j.cbpa.2006.01.006 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 019SY UT WOS:000235858200003 PM 16418011 ER PT J AU Radisky, DC Bissell, MJ AF Radisky, DC Bissell, MJ TI Matrix metalloproteinase-induced genomic instability SO CURRENT OPINION IN GENETICS & DEVELOPMENT LA English DT Review ID MAMMARY EPITHELIAL-CELLS; EXTRACELLULAR-MATRIX; CHROMOSOME INSTABILITY; TUMOR PROGRESSION; TRANSGENIC MICE; SPLICE VARIANT; DNA-DAMAGE; CARCINOGENESIS; STROMELYSIN-1; EXPRESSION AB Increased expression of matrix metalloproteinases (MMPs) is associated with nearly every tumor type. Although many studies have shown that MMPs can promote malignancy, recent evidence has revealed that MMPs can play a causative role also in the earliest stages of cancer development. A complex story is now emerging in which MMPs not only compromise cell-cell and cell-substratum adhesion processes that impact genomic surveillance mechanisms but also act directly on molecules at the cell surface to stimulate physiological processes that cause genetic alterations. Delineating the mechanisms involved in these processes and identifying how they are coordinated in vivo could aid identification of the crucial contribution of MMPs to tumorigenesis. C1 Mayo Clin, Ctr Canc, Jacksonville, FL 32225 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bissell, MJ (reprint author), Mayo Clin, Ctr Canc, Jacksonville, FL 32225 USA. EM mjbissell@lbl.gov FU NCI NIH HHS [CA57621, CA64786, R01 CA064786-06, R37 CA064786, R01 CA064786, R01 CA057621-07, R01 CA057621] NR 49 TC 33 Z9 33 U1 0 U2 1 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0959-437X J9 CURR OPIN GENET DEV JI Curr. Opin. Genet. Dev. PD FEB PY 2006 VL 16 IS 1 BP 45 EP 50 DI 10.1016/j.gde.2005.12.011 PG 6 WC Cell Biology; Genetics & Heredity SC Cell Biology; Genetics & Heredity GA 013UN UT WOS:000235435500008 PM 16377172 ER PT J AU Goddard, G Martin, JC Graves, SW Kaduchak, G AF Goddard, G Martin, JC Graves, SW Kaduchak, G TI Ultrasonic particle-concentration for sheathless focusing of particles for analysis in a flow cytometer SO CYTOMETRY PART A LA English DT Article DE portable flow cytometry; acoustic concentration; environmental sampling ID MANIPULATION; DIODE AB Background: The development of inexpensive small flow cytometers is recognized as an important goal for many applications ranging from medical uses in developing countries for disease diagnosis to use as an analytical platform in support of homeland defense. Although hydrodynamic focusing is highly effective at particle positioning, the use of sheath fluid increases assay cost and reduces instrument utility for field and autonomous remote operations. Methods: This work presents the creation of a novel flow cell that uses ultrasonic acoustic energy to focus small particles to the center of a flowing stream for analysis by flow cytometry. Experiments using this flow cell are described wherein its efficacy is evaluated under flow cytometric conditions with fluorescent microspheres. Results: Preliminary laboratory experiments demonstrate acoustic focusing of flowing 10-mu m latex particles into a tight sample stream that is similar to 40 mu m in diameter. Prototype flow cytometer measurements using an acoustic-focusing flow chamber demonstrated focusing of a microsphere sample to a central stream similar to 40 mu m in diameter, yielding a definite fluorescence peak for the microspheres as compared with a broad distribution for unfocused microspheres. Conclusions: The flow cell developed here uses acoustic focusing, which inherently concentrates the sample particles to the center of the sample stream. This method could eliminate the need for sheath fluid, and will enable increased interrogation times for enhanced sensitivity, while maintaining high particle-analysis rates. The concentration effect will also enable the analysis of extremely dilute samples on the order of several particles per liter, at analysis rates of a few particles per second. Such features offer the possibility of a truly versatile low-cost portable flow cytometer for field applications. (C) 2006 International Society for Analytical Cytology. C1 Los Alamos Natl Lab, Natl Flow Cytometry Resource, Los Alamos, NM 87566 USA. RP Goddard, G (reprint author), Los Alamos Natl Lab, Natl Flow Cytometry Resource, Mail Stop M888,POB 1663, Los Alamos, NM 87566 USA. EM ggoddard@lanl.gov FU NCRR NIH HHS [RR-01315] NR 29 TC 53 Z9 54 U1 2 U2 14 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 FEB PY 2006 VL 69A IS 2 BP 66 EP 74 DI 10.1002/cyto.a.20205 PG 9 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 010IK UT WOS:000235181100002 PM 16419065 ER PT J AU Zimmermann, T Janischowsky, K Denisenko, A Guillen, FJH Kubovic, M Gruen, DM Kohn, E AF Zimmermann, T Janischowsky, K Denisenko, A Guillen, FJH Kubovic, M Gruen, DM Kohn, E TI Nanocrystalline diamond pn-structure grown by hot-filament CVD SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE HFCVD; diamond NCD; pn-structure; diode ID FILMS AB A rectifying nanocrystalline diamond (NCD) pri-structure has been grown by Hot-Filament CVD onto a large-area silicon substrate. N-type as well as p-type doping has been realized with this HFCVD process. W-measurements at different temperatures show a diode behavior with an ideality factor of approximately n = 10 and a barrier height for current injection of approximately 0.76 eV CV-plots show a dielectric barrier of 4.2 eV This points towards a complex interface behavior, which is analysed on the basis of highly disordered materials. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Ulm, Dept Electron Devices & Circuits, D-89081 Ulm, Germany. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zimmermann, T (reprint author), Univ Ulm, Dept Electron Devices & Circuits, Albert Einstein Allee 45, D-89081 Ulm, Germany. EM tom.zimmermann@ebs.e-technik.uni-ulm.de NR 7 TC 14 Z9 14 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 203 EP 206 DI 10.1016/j.diamond.2005.07.025 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300006 ER PT J AU Xiao, X Auciello, O Cui, H Lowndes, DH Merkulov, VL Carlisle, J AF Xiao, X Auciello, O Cui, H Lowndes, DH Merkulov, VL Carlisle, J TI Synthesis and field emission properties of hybrid structures of ultrananocrystalline diamond and vertically aligned carbon nanofibers SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE diamond film; carbon nanofibers; hybrid structure; field emission ID X-RAY-ABSORPTION; FILMS; NANOTUBES; GROWTH; ARRAYS; GASES AB Ultrananocrystalline diamond (UNCD) films with and without nitrogen doping were deposited onto vertically aligned carbon nanofibers (VACNFs). The field emission properties of these hybrid structures were studied. It is found that the UNCD films were deposited on VACNFs with a high degree of conformality using an optimized seeding process. This hybrid structures exhibited greatly improved macroscopic field emission performance compared with uncoated VACNFs. Further enhancement was observed for nitrogen-doped UNCD on VACNFs, with low threshold field emission (2.5 V/mu m) and low work functions for the field emission. The stability of the emission was also improved as compared to the uncoated VACNFs. Published by Elsevier B.V. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscaled Mat, Argonne, IL 60439 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Carlisle, J (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM Carlisle@anl.gov NR 21 TC 15 Z9 15 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 244 EP 247 DI 10.1016/j.diamond.2005.07.013 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300015 ER PT J AU Wang, J Carlisle, JA AF Wang, J Carlisle, JA TI Covalent immobilization of glucose oxidase on conducting ultrananocrystalline diamond thin films SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE diamond; glucose sensor; functionalization; biosensor ID VAPOR-DEPOSITED DIAMOND; ELECTROCHEMICAL REDUCTION; SENSORS; BIOSENSORS; ENZYME; ELECTRODES; SYSTEMS; GROWTH AB We demonstrate in this report the covalent immobilization of redox enzymes onto electrically conductive ultrananocrystalline diamond (UNCD) thin films. Glucose oxidase was attached to the UNCD surface via the tethered aminophenyl functional groups which were previously grafted to UNCD surface by electrochemical reduction of aryl diazonium salt. Scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) observations confirmed the surface functionalization. The tethered glucose oxidase maintains its biocatalytic activity, and the electrical communication between the enzyme active sites and the UNCD surface was established using molecular oxygen as the electron mediator. Our results suggest that conductive diamond thin films, owing to their excellent mechanical, electrical and electrochemical properties, could serve as a robust platform for a new class of bioinorganic interfaces and electrochemical biosensors. (c) 2005 Elsevier B.V All rights reserved. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Wang, J (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jianwang@anl.gov NR 38 TC 85 Z9 85 U1 3 U2 18 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 279 EP 284 DI 10.1016/j.diamond.2005.09.017 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300022 ER PT J AU Barnard, AS AF Barnard, AS TI Theory and modeling of nanocarbon phase stability SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE nanodiamond; fullerenes; bucky-diamond; phase transitions; phase diagrams; theory and simulation ID LOW-PRESSURE SYNTHESIS; CARBON CLUSTERS; INDUCED TRANSFORMATION; DIAMOND NANOPARTICLES; AMORPHOUS-CARBON; GRAPHITE; DIAGRAM; SIZE; TEMPERATURE; TRANSITION AB The transformation of nanodiamonds into carbon-onions (and vice versa) has been observed experimentally and has been modeled computationally at various levels of sophistication. Also, several analytical theories have been derived to describe the size, temperature and pressure dependence of this phase transition. However, in most cases a pure carbon-onion or nanodiamond is not the final product. More often than not an intermediary is formed, known as a bucky-diamond, with a diamond-like core encased in an onion-like shell. This has prompted a number of studies investigating the relative stability of nanodiamonds, bucky-diamonds, carbon-onions and fullerenes, in various size regimes. Presented here is a review outlining results of numerous theoretical studies examining the phase diagrams and phase stability of carbon nanoparticles, to clarify the complicated relationship between fullerenic and diamond structures at the nanoscale. (c) 2005 Published by Elsevier B.V. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Barnard, AS (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. EM amanda.barnard@materials.ox.ac.uk RI Barnard, Amanda/A-7340-2011 OI Barnard, Amanda/0000-0002-4784-2382 NR 54 TC 27 Z9 30 U1 0 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 285 EP 291 DI 10.1016/j.diamond.2005.05.007 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300023 ER PT J AU Czaplewski, DA Sullivan, JP Friedmann, TA Wendt, JR AF Czaplewski, DA Sullivan, JP Friedmann, TA Wendt, JR TI Mechanical dissipation at elevated temperatures in tetrahedral amorphous carbon oscillators SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE diamond film; deflects; thermal properties; micro-electromechanical systems (MEMS) ID DIAMOND AB We have measured the temperature dependence of mechanical dissipation in tetrahedral amorphous carbon flexural and torsional resonators over the temperature range from 300 to 1023 K. The mechanical dissipation was found to be controlled by defects within the material, and the magnitude and temperature dependence of the dissipation were found to depend on whether flexural or torsional vibrational modes were excited. The defects that were active under flexural stresses have a relatively flat concentration from 0.4 to 0.7 eV with an ever increasing defect concentration up to 1.9 eV Under shear stresses (torsion), the defect activation energies increase immediately beginning at 0.4 eV, with increasing defect concentration at higher energies. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Dept 1762, Albuquerque, NM 87185 USA. RP Czaplewski, DA (reprint author), Sandia Natl Labs, Dept 1762, M-S 1310, Albuquerque, NM 87185 USA. EM daczapl@sandia.gov NR 13 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 309 EP 312 DI 10.1016/j.diamond.2005.07.027 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300028 ER PT J AU Sepulveda, N Aslam, D Sullivan, JP AF Sepulveda, N Aslam, D Sullivan, JP TI Polycrystalline diamond MEMS resonator technology for sensor applications SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 8th Applied Diamond Conference/NanoCarbon CY MAY 15-19, 2005 CL Argonne Natl Lab, Chicago, IL HO Argonne Natl Lab DE MEMS resonator; diamond; resonant frequency; quality factor ID NANOCRYSTALLINE-DIAMOND; DISSIPATION; CANTILEVERS AB Due to material limitations of poly-Si resonators, polycrystalline diamond (poly-C) has been explored as a new MEMS resonator material. The poly-C resonators are designed, fabricated and tested using electrostatic (Michigan State University) and piezoelectric (Sandia National Laboratories) actuation methods, and the results are compared. For comparable resonator structures, although the resonance frequencies are similar, the measured Q values in the ranges of 1000-2000 and 10,000-15,000 are obtained for electrostatic and piezoelectric actuation methods, respectively. The difference in Q for the two methods is related to different pressures used during the measurement and not to the method of measurement. For the poly-C cantilever beam resonators, the highest value of their quality factor ( Q) is reported for the first time (15,263). (c) 2005 Elsevier B.V All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Michigan State Univ, Dept Elect & Comp Engn, E Lansing, MI 48824 USA. RP Sepulveda, N (reprint author), Sandia Natl Labs, 1112,MS 1415, Albuquerque, NM 87185 USA. EM nsepulv@sandia.gov RI Sepulveda, Nelson/E-6536-2011 OI Sepulveda, Nelson/0000-0002-9676-8529 NR 11 TC 40 Z9 40 U1 0 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD FEB-MAR PY 2006 VL 15 IS 2-3 BP 398 EP 403 DI 10.1016/j.diamond.2005.08.032 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 027UE UT WOS:000236440300045 ER PT J AU Shilo, NA Lozhkin, AV Anderson, PM Brown, TA Matrosova, TV Kotov, AN AF Shilo, N. A. Lozhkin, A. V. Anderson, P. M. Brown, T. A. Matrosova, T. V. Kotov, A. N. TI Radiocarbon dates and palynological characteristics of sediments in Lake Melkoe, Anadyr River Basin, Chukotka SO DOKLADY EARTH SCIENCES LA English DT Article C1 Russian Acad Sci, Moscow 117901, Russia. Russian Acad Sci, Far E Div, NE Complex Res Inst, Magadan 685000, Russia. Univ Washington, Quaternary Res Ctr, Seattle, WA 98195 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Russian Acad Sci, Far E Div, NE Complex Res Inst, Chukchi Branch, Anadyr 686710, Russia. RP Shilo, NA (reprint author), Russian Acad Sci, Leninskii Pr 14, Moscow 117901, Russia. EM lozhkin@neisri.magadan.ru; pata@u.washington.edu; tabrown@llnl.gov; nauka@anadyr.ru NR 3 TC 1 Z9 1 U1 0 U2 0 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1028-334X J9 DOKL EARTH SCI JI Dokl. Earth Sci. PD FEB PY 2006 VL 407 IS 2 BP 230 EP 232 DI 10.1134/S1028334X06020164 PG 3 WC Geosciences, Multidisciplinary SC Geology GA 140RT UT WOS:000244524900016 ER PT J AU McLauchlan, KK Hobbie, SE Post, WM AF McLauchlan, KK Hobbie, SE Post, WM TI Conversion from agriculture to grassland builds soil organic matter on decadal timescales SO ECOLOGICAL APPLICATIONS LA English DT Article DE agriculture; carbon sequestration; chronosequence; cultivated-field conversion to grassland; restored grasslands and soil organic C; soil organic matter ID CONSERVATION RESERVE PROGRAM; GREAT-PLAINS; CARBON SEQUESTRATION; NITROGEN; DYNAMICS; TURNOVER; MINERALIZATION; DECOMPOSITION; AGGREGATION; GRASSES AB Soil organic matter (SOM) often increases when agricultural fields are converted to perennial vegetation, yet decadal scale rates and the mechanisms that underlie SOM accumulation are not clear. We measured SOM accumulation and changes in soil properties on a, replicated chronosequence of former agricultural fields in the midwestern United States that spanned 40 years after perennial-grassland establishment. Over this time period, soil organic carbon (SOC) in the top 10 cm of soil accumulated at a constant rate of 62.0 g center dot m(-2)center dot yr(-1), regardless of whether the vegetation type was dominated by C, or C, grasses. At this rate, SOC contents will be equivalent to unplowed native prairie sites within 55-75 years after cultivation ceased. Both labile (short turnover time) and recalcitrant (long turnover time) 'carbon pools increased linearly for 40 years, with recalcitrant pools increasing more rapidly than expected. This result was consistent across several different methods of measuring labile SOC. A model that investigates the mechanisms of SOM formation suggests that rapid formation of stable carbon resulted from biochemically resistant microbial products and plant material. Former agricultural soils of the Great Plains may function as carbon sinks for less than a century, although much of the carbon stored is stable. C1 Univ Minnesota, Dept Ecol Evolut & Behav, St Paul, MN USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP McLauchlan, KK (reprint author), Dartmouth Coll, Environm Studies Program, Hanover, NH 03755 USA. EM kendra.mclauchlan@dartmouth.edu RI Post, Wilfred/B-8959-2012; OI Hobbie, Sarah/0000-0001-5159-031X NR 59 TC 115 Z9 119 U1 6 U2 61 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1707 H ST NW, STE 400, WASHINGTON, DC 20006-3915 USA SN 1051-0761 J9 ECOL APPL JI Ecol. Appl. PD FEB PY 2006 VL 16 IS 1 BP 143 EP 153 DI 10.1890/04-1650 PG 11 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA 028SW UT WOS:000236510100014 PM 16705968 ER PT J AU Liu, GD Lin, YH AF Liu, GD Lin, YH TI Amperometric glucose biosensor based on self-assembling glucose oxidase on carbon nanotubes SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE carbon nanotubes; layer-by-layer; glucose biosensor ID LAYER-BY-LAYER; PYROLYTIC-GRAPHITE ELECTRODE; DIRECT ELECTROCHEMISTRY; CLAY NANOPARTICLES; NADH DETECTION; FILMS; POLYELECTROLYTE; FUNCTIONALIZATION; COMPOSITES; ENZYME AB A flow injection amperometric glucose biosensor based on electrostatic self-assembling glucose oxidase (GOx) oil a carbon nanotube (CNT) - modified glassy carbon transducer is described. GOx is immobilized on the negatively charged CNT surface by alternatively assembling a cationic polydiallyldimethylammonium chloride (PDDA) layer and a GOx layer. The unique sandwich-like layer structure (PDDA/GOx/PDDA/CNT) formed by self-assembling provides a favorable microenvironment to keep the bioactivity of GOx and to prevent enzyme molecule leakage. The excellent electrocatalytic activity toward H(2)O(2) of the fabricated PDDA/GOx/PDDA/CNT electrode indicated that the polyelectrolyte-protein multilayer does not affect the electrocatalytic properties of CNT, enabling sensitive determitiation of glucose. Flow injection amperometric detection Of glucose is carried Out at -100 mV (vs. Ag/AgCl) in 0.05 M phosphate buffer solution (pH 7.4) with a wide linear response range of 15 mu M to 6 mM and a detection limit of 7 mu M. The PDDA/GOx/PDDA/CNT/GC biosensor showed excellent properties for the sensitive determination of glucose with good reproducibility, remarkable stability, and freedom of interference from other co-existing electroactive species. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, 902 Battele Blvd, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 35 TC 161 Z9 162 U1 4 U2 45 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD FEB PY 2006 VL 8 IS 2 BP 251 EP 256 DI 10.1016/j.elecom.2005.11.015 PG 6 WC Electrochemistry SC Electrochemistry GA 009SX UT WOS:000235134100010 ER PT J AU Belharouak, I Lu, WQ Vissers, D Amine, K AF Belharouak, I Lu, WQ Vissers, D Amine, K TI Safety characteristics of Li(Ni0.8Co0.15Al0.05)O-2 and Li(Ni1/3CO1/3Mn1/3)O-2 SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE lithium-ion batteries; cathode; thermal stability; high power; HEV ID LITHIUM-ION BATTERIES; NICKEL-OXIDE DERIVATIVES; THERMAL-STABILITY; CELLS; LIXNI0.89AL0.16O2; PERFORMANCE; LIXNI1.02O2; CATHODE AB Layered Li-0.45(Ni0.8Co0.15Al0.05)O-2 and Li-0.55(Ni1/3Co1/3Mn1/3)O-2 materials have been, respectively, prepared by a chemical delithiation of layered Li(Ni0.8Co0.15Al0.05)O-2 and Li(Ni1/3Co1/3Mn1/3)O-2 compounds using NO2BF4 oxidizer in ail acetonitrile medium. The thermal gravimetric results show that both Li-0.45(Ni0.8Co0.15Al0.05)O-2 and Li-0.55(Ni1/3Co1/3Mn1/3)O-2 powders release oxygen starting from 190 and 250 degrees C with an overall oxygen loss of 11 and 9 wt% at 900 degrees C, respectively. The results show that the oxygen release from these delithiated powders was associated with the occurrence of several structural transformations, ranging from a R (3) over barm -> Fd3m (layered -> spinel) transition to a Fd3m -> Fm3m (spinel -> NiO-type) transition. The 3 wt% weight gain, solely observed for Li-0.55(Ni1/3Co1/3Mn1/3)O-2 between 800 degrees C and room temperature, involved a reversible Fd3m reversible arrow Fm3m (spinel reversible arrow NiO-type) structural transition. The reactivity of these delithiated powders with electrolytes was investigated by a differential scanning calorimetry (DSC) between room temperature and 375 degrees C. In the case of Li-0.55(Ni1/3Co1/3Mn1/3)O-2 powder, the DSC result shows that the oxidation of the electrolyte was delayed by 50 'C toward high temperatures with the generation of lower heat when compared to Li-0.45(Ni0.8Co0.15Al0.05)O-2 powder. The relationship between the safety characteristics of Li-0.45(Ni0.8Co0.15Al0.05)O-2 and Li-0.55(Ni1/3Co1/3Mn1/3)O-2 powders and their thermal stability was discussed in the light of their structural rearrangement during the thermal heating processes. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, Argonne, IL 60439 USA. RP Amine, K (reprint author), Argonne Natl Lab, Div Chem Engn, Electrochem Technol Program, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amine@cmt.anl.gov RI Amine, Khalil/K-9344-2013; OI Belharouak, Ilias/0000-0002-3985-0278 NR 14 TC 143 Z9 145 U1 8 U2 94 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD FEB PY 2006 VL 8 IS 2 BP 329 EP 335 DI 10.1016/j.elecom.2005.12.007 PG 7 WC Electrochemistry SC Electrochemistry GA 009SX UT WOS:000235134100024 ER PT J AU Park, KW Sung, YE Toney, MF AF Park, KW Sung, YE Toney, MF TI Structural effect of PtRu-WO3 alloy nanostructures on methanol electrooxidation SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE direct methanol fuel cell; methanol electrooxidation; platinum catalyst; platinum and ruthenium alloy; nanostructure; grazing incidence X-ray diffraction ID FUEL-CELL ELECTRODES; PT-RU; CATALYTIC-ACTIVITY; ADSORBED CO; PLATINUM; NANOPARTICLES; PHASE; ELECTROCHEMISTRY; ELECTROCATALYSTS AB PtRu-WO3 alloy thin-film nanostructures for use as direct methanol fuel cells have been fabricated by co-sputtering for 20 and 40 at.% Ru. The structural and electrochemical properties of these nanostructures were characterized using transmission electron microscopy, X-ray diffraction, and electrochemical measurements. The nanostructures consist of PtRu alloy nanoparticles (4 nm in size) dispersed in the WO3 matrix. For 20 at.% Ru, the alloy nanoparticles are face-centered cubic (fcc), but for 40 at.% Ru, the nanoparticles separate into Pt-rich fcc and Ru-rich hexagonal-close packed (hcp) phases. (c) 2005 Elsevier B.V. All rights reserved. C1 Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151744, South Korea. Seoul Natl Univ, Res Ctr Energy Convers & Storage, Seoul 151744, South Korea. Soongsil Univ, Dept Chem & Environm Engn, Seoul 156743, South Korea. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Sung, YE (reprint author), Seoul Natl Univ, Sch Chem & Biol Engn, Seoul 151744, South Korea. EM ysung@snu.ac.kr; mftoney@slac.Stanford.edu NR 25 TC 22 Z9 23 U1 2 U2 8 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD FEB PY 2006 VL 8 IS 2 BP 359 EP 363 DI 10.1016/j.elecom.2005.12.010 PG 5 WC Electrochemistry SC Electrochemistry GA 009SX UT WOS:000235134100029 ER PT J AU Park, KW Sung, YE Toney, MF AF Park, KW Sung, YE Toney, MF TI Electrochemical and electrochromic properties of nanoworm-shaped Ta2O5-Pt thin-films (vol 7, pg 151, 2005) SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Correction C1 Penn State Univ, Dept Chem, University Pk, PA 16802 USA. Seoul Natl Univ, Sch Chem Engn, Seoul 151744, South Korea. Seoul Natl Univ, Res Ctr Energy Convers & Storage, Seoul 151744, South Korea. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Park, KW (reprint author), Penn State Univ, Dept Chem, 104 Chem Bldg, University Pk, PA 16802 USA. EM kup12@psu.edu; ysung@snu.ac.kr; mftoney@slac.stanford.edu NR 1 TC 3 Z9 3 U1 2 U2 2 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD FEB PY 2006 VL 8 IS 2 BP 369 EP 369 DI 10.1016/j.elecom.2005.06.003 PG 1 WC Electrochemistry SC Electrochemistry GA 009SX UT WOS:000235134100031 ER PT J AU Brown, GE Sutton, SR Calas, G AF Brown, GE Sutton, SR Calas, G TI User facilities around the world SO ELEMENTS LA English DT Article DE synchrotron X-rays; neutron scattering; electron beam microcharacterization; nanoscience research AB National and international communities of scientists from a variety of disciplines have been successful in convincing a growing number of countries to construct major user facilities that collectively serve these communities. These user facilities make possible experimental studies that cannot be done in individual investigator laboratories. In addition, they have created a new style of research, in which scientists working in shared facilities conduct studies that benefit from a merging of ideas and techniques from different disciplines. Earth science users of these facilities are growing in number and are benefiting greatly from the multidisciplinary interactions such facilities stimulate and from the unique experimental capabilities they provide. C1 Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. Univ Paris 06, Inst Mineral & Phys Mil Condenses, UMR CNRS 7590, F-75015 Paris, France. Univ Paris 07, Inst Mineral & Phys Mil Condenses, UMR CNRS 7590, F-75015 Paris, France. Inst Phys Globe, F-75015 Paris, France. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. RP Brown, GE (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM gordon@pangea.stanford.edu; sutton@cars.uchicago.edu; calas@lmcp.jussieu.fr RI Calas, Georges/B-2445-2012 OI Calas, Georges/0000-0003-0525-5734 NR 11 TC 13 Z9 13 U1 2 U2 3 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 1811-5209 J9 ELEMENTS JI Elements PD FEB PY 2006 VL 2 IS 1 BP 9 EP 14 DI 10.2113/gselements.2.1.9 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 014KM UT WOS:000235478900005 ER PT J AU Brown, GE Calas, G Hemley, RJ AF Brown, GE Calas, G Hemley, RJ TI Scientific advances made possible by user facilities SO ELEMENTS LA English DT Article DE national scientific user facilities; synchrotron radiation sources; neutron sources; Earth science research ID X-RAY-DIFFRACTION; SYNCHROTRON-RADIATION; NEUTRON-DIFFRACTION; STRUCTURAL-CHANGES; MINERAL SURFACES; SOUND VELOCITIES; SILICATE-GLASSES; PHASE-TRANSITION; TRACE-ELEMENTS; HEMATITE 0001 AB National scientific user facilities are becoming increasingly available to many different scientific communities in a number of countries. There is a growing use of these facilities by Earth and environmental scientists to study a broad range of materials and processes under realistic P-T and environmental conditions at unprecedented levels of energy and spatial resolution and elemental and isotopic sensitivity. The results of these studies are providing new insights into biogeochemical processes operating at Earth's surface as well as petrological, geochemical, and geophysical processes in Earth's interior. The availability of national user facilities is changing scientific approaches and is leading to multidisciplinary studies that were not possible a decade ago. C1 Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Paris 06, Inst Mineral & Phys Mil Condenses, UMR CNRS 7590, IPGP, F-75015 Paris, France. Univ Paris 07, Inst Mineral & Phys Mil Condenses, UMR CNRS 7590, IPGP, F-75015 Paris, France. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Brown, GE (reprint author), Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. EM gordon@pangea.stanford.edu; calas@lmcp.jussieu.fr; r.hemley@gl.ciw.edu RI Calas, Georges/B-2445-2012 OI Calas, Georges/0000-0003-0525-5734 NR 58 TC 10 Z9 10 U1 1 U2 4 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 1811-5209 J9 ELEMENTS JI Elements PD FEB PY 2006 VL 2 IS 1 BP 23 EP 30 DI 10.2113/gselements.2.1.23 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 014KM UT WOS:000235478900007 ER PT J AU Parise, JB Brown, GE AF Parise, JB Brown, GE TI New opportunities at emerging facilities SO ELEMENTS LA English DT Article DE national user facilities; synchrotron X-ray; neutron scattering; X-ray fluorescence; imaging ID NEUTRON-SCATTERING; CONTRAST VARIATION; SOUND VELOCITIES; DIFFRACTION; IRON; CELL AB Synchrotron X-ray sources and pulsed neutron sources are getting brighter. This permits new opportunities for scattering, spectroscopy, and imaging studies of Earth materials and processes that were not possible a decade ago. The impact of these latest-generation facilities on Earth sciences research requiring nanometer- to micrometer-scale resolution is growing and will continue to grow as next-generation X-ray and neutron sources become available over the next six years. These facilities will include the world's first X-ray free-electron lasers in the US (2009) and Europe (2012) and the Spallation Neutron Source at Oak Ridge National Laboratory, USA (2006). In addition, five nanoscale science research centers are under construction in the US and will impact the emerging field of nanogeoscience. C1 SUNY Stony Brook, Ctr Environm Mol Sci, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Parise, JB (reprint author), SUNY Stony Brook, Ctr Environm Mol Sci, Stony Brook, NY 11794 USA. EM John.Parise@sunysb.edu; gordon@pangea.stanford.edu NR 20 TC 5 Z9 5 U1 2 U2 6 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 1811-5209 J9 ELEMENTS JI Elements PD FEB PY 2006 VL 2 IS 1 BP 37 EP 42 DI 10.2113/gselements.2.1.37 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 014KM UT WOS:000235478900009 ER PT J AU Lutz, J Lekov, A Chan, P Whitehead, CD Meyers, S McMahon, J AF Lutz, J Lekov, A Chan, P Whitehead, CD Meyers, S McMahon, J TI Life-cycle cost analysis of energy efficiency design options for residential furnaces and boilers SO ENERGY LA English DT Article AB In 2001, the US Department of Energy (DOE) initiated a rulemaking process to consider whether to amend the existing energy efficiency standards for furnaces and boilers. A key factor in DOE's consideration of new standards is the economic impacts on consumers of possible revisions to energy-efficiency standards. Determining cost-effectiveness requires an appropriate comparison of the additional first cost of energy efficiency design options with the savings in operating costs. DOE's preferred approach involves comparing the total life-cycle cost (LCC) of owning and operating a more efficient appliance with the LCC for a baseline design. This study describes the method used to conduct the LCC analysis and presents the estimated change in LCC associated with more energy-efficient equipment. The results indicate that efficiency improvement relative to the baseline design can reduce the LCC in each of the product classes considered. (c) 2005 Elsevier Ltd. All rights reserved. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Meyers, S (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM spmeyers@lbl.gov NR 17 TC 16 Z9 16 U1 2 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD FEB-MAR PY 2006 VL 31 IS 2-3 BP 311 EP 329 DI 10.1016/j.energy.2005.02.002 PG 19 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 975ST UT WOS:000232682900009 ER PT J AU Nelson, EA Specht, WL Knox, AS AF Nelson, EA Specht, WL Knox, AS TI Metal removal from water discharges by a constructed treatment wetland SO ENGINEERING IN LIFE SCIENCES LA English DT Article; Proceedings Paper CT 1st International Conference on Environmental Science and Technology (ICEST) CY JAN, 2005 CL New Orleans, LA ID PERFORMANCE; BACTERIA AB A full-scale constructed wetland treatment system consisting of four pairs of wetland cells (3.2 ha total area) with water flowing through a pair of cells in series prior to discharge was investigated. A retention basin provided stable water flow to the system. Water retention time in the wetland system was approximately 48 hours, and the wetland cells operated at circumneutral pH. Vegetation development within the cells has been excellent. Copper removal efficiency was greater than 75 % from the start-up of the system, while mercury efficiency improved with maturation of the treatment cells. Sampling of the water course through the wetlands conducted during the fourth year of operation validated continued performance, and assessed the fate of a larger suite of metals present in the water. Copper and mercury removal efficiencies were still very high, both in excess of 80 % removal from the water after passage through the wetland system. Mercury removal continued along the entire water course through the system, while copper was removed almost immediately upon entering the wetland cells. Lead removal from the water by the system was 83 %, zinc removal was 60 %, and nickel was generally unaffected. Organic carbon in the water was also increased by the system and reduced the bioavailability of some metals. Operation and maintenance of the system continued to be minimal, and mainly consisted of checking for growth of the vegetation and free flow of the water through the system. The system was entirely passive, relying on gravity as the power source of water flow. No reportable permit exceedances have been experienced since the wetland began treating an outfall discharge. C1 Savannah River Ecol Lab, Dept Environm Sci & Technol, Aiken, SC 29803 USA. RP Nelson, EA (reprint author), Savannah River Ecol Lab, Dept Environm Sci & Technol, Bldg 773-42A, Aiken, SC 29803 USA. EM eric.nelson@srnl.doe.gov NR 19 TC 10 Z9 11 U1 2 U2 9 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1618-0240 J9 ENG LIFE SCI JI Eng. Life Sci. PD FEB PY 2006 VL 6 IS 1 BP 26 EP 30 DI 10.1002/elsc.200620112 PG 5 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 025KG UT WOS:000236264000003 ER PT J AU Knox, AS Dunn, DL Paller, MH Nelson, EA Specht, WL Seaman, JC AF Knox, AS Dunn, DL Paller, MH Nelson, EA Specht, WL Seaman, JC TI Assessment of contaminant retention in constructed wetland sediments SO ENGINEERING IN LIFE SCIENCES LA English DT Article; Proceedings Paper CT 1st International Conference on Environmental Science and Technology (ICEST) CY JAN, 2005 CL New Orleans, LA ID TRACE-METALS; EXTRACTION AB The A-01 wetland treatment system (WTS) was designed to remove metals from an industrial effluent at the Savannah River Site, Aiken, SC. Sequential extraction data were used to evaluate remobilization and retention of Cu, Pb, Zn, Mn, and Fe in the wetland sediment. Remobilization of metals was determined by the Potentially Mobile Fraction (PMF) and metal retention by the Recalcitrant Factor (RF). The PMF, which includes water soluble, exchangeable, and arnorphous oxides fractions, is the contaminant fraction that has the potential to enter into the mobile aqueous phase under fluctuating environmental conditions. PMF values were low for Cu, Zn, and Pb (13-27 %) and high for Fe and Mn (62-70 %). The RF, which includes crystalline oxides. sulfides or silicates and aluminosilicates, is the ratio of strongly bound fractions to the total concentration of elements in sediment. RF values ranged from 73-87 % for Cu, Zn, and Pb, indicating high retention in the sediment and from 30-38 % for Fe and Mn, indicating low retention. Contaminant retention. which is determined by solid phase metal speciation, determines the potential mobility and bioavailability of captured metals in wetland sediments; hence, their likelihood of being released if chemical, physical, or biological conditions within the wetland change. C1 Savannah River Ecol Lab, Dept Environm Sci & Technol, Aiken, SC 29803 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29803 USA. RP Knox, AS (reprint author), Savannah River Ecol Lab, Dept Environm Sci & Technol, Bldg 773-42A, Aiken, SC 29803 USA. EM anna.knox@srnl.doe.gov NR 11 TC 5 Z9 5 U1 1 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1618-0240 J9 ENG LIFE SCI JI Eng. Life Sci. PD FEB PY 2006 VL 6 IS 1 BP 31 EP 36 DI 10.1002/elsc.200620116 PG 6 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 025KG UT WOS:000236264000004 ER PT J AU Dauble, DD Moursund, RA Bleich, MD AF Dauble, DD Moursund, RA Bleich, MD TI Swimming behaviour of juvenile Pacific lamprey, Lampetra tridentata SO ENVIRONMENTAL BIOLOGY OF FISHES LA English DT Article DE hydroelectric dam passage; agnatha ID CHINOOK SALMON; RIVER; PERFORMANCE AB We collected actively migrating juvenile Pacific lamprey Lampetra tridentata [Richardson, J. 1836. Fauna Boreali-Americana; or the zoology of the northern parts of British America: containing descriptions of the objects of natural history collected on the late northern land expeditions, under the command of Sir John Franklin. R.N., Fauna Boreali-Americana, 327 pp.] from hydroelectric bypass facilities in the Columbia River and transferred them to the laboratory to study diel movement patterns and swimming ability. Volitional movement of lamprey was restricted mainly to night, with 94% of all swimming activity occurring during the 12 h dark period. Burst speed of juvenile lamprey (mean length 136 +/- 5 mm SD) ranged from 56 to 94 cm s(-1) with a mean of 71 +/- 5 SD cm s(-1) or an average speed of 5.2 s(-1)body lengths (BL). Sustained swim speed for 5 min test intervals ranged from 0 to 46 cm s(-1) with a median of 23 cm s-(1). Critical swimming speed was 36.0 +/- 10.0 SD cm s(-1) and 2.4 +/- 0.6 SD BL s(-1). We found no significant relationship between fish length and critical swimming speed. These findings show that swimming performance of juvenile Pacific lamprey is low compared to anadromous teleosts. Their poor swimming ability provides a challenge when they encounter man-made structures and reservoirs during the freshwater migration interval downstream to the Pacific Ocean. C1 Pacific NW Natl Lab, Nat Resource Div, Environm Technol Directorate, Richland, WA 99352 USA. RP Dauble, DD (reprint author), Pacific NW Natl Lab, Nat Resource Div, Environm Technol Directorate, POB 999, Richland, WA 99352 USA. EM dd.dauble@pnl.gov NR 19 TC 16 Z9 18 U1 1 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0378-1909 EI 1573-5133 J9 ENVIRON BIOL FISH JI Environ. Biol. Fishes PD FEB PY 2006 VL 75 IS 2 BP 167 EP 171 DI 10.1007/s10641-005-4698-7 PG 5 WC Ecology; Marine & Freshwater Biology SC Environmental Sciences & Ecology; Marine & Freshwater Biology GA 037XW UT WOS:000237182300003 ER PT J AU Webb, SM Fuller, CC Tebo, BM Bargar, JR AF Webb, SM Fuller, CC Tebo, BM Bargar, JR TI Determination of uranyl incorporation into biogenic manganese oxides using X-ray absorption spectroscopy and scattering SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SYNTHETIC NA-BIRNESSITE; MARINE BACILLUS SP.; STRAIN SG-1; HEXAGONAL BIRNESSITE; RIETVELD REFINEMENT; MN OXIDES; OXIDATION; URANIUM; EXAFS; DIFFRACTION AB Biogenic manganese oxides are common and an important source of reactive mineral surfaces in the environment that may be potentially enhanced in bioremediation cases to improve natural attenuation. Experiments were performed in which the uranyl ion, UO22+ (U(VI)), at various concentrations was present during manganese oxide biogenesis. At all concentrations, there was strong uptake of U onto the oxides. Synchrotron-based extended X-ray absorption fine structure (EXAFS) spectroscopy and X-ray diffraction (XRD) studies were carried out to determine the molecular-scale mechanism by which uranyl is incorporated into the oxide and how this incorporation affects the resulting manganese oxide structure and mineralogy. The EXAFS experiments show that at low concentrations (< 0.3 mol % U, < 1 mu M U(VI) in solution), U(VI) is present as a strong bidentate surface complex. At high concentrations (> 2 mol % U, > 4 mu M U(VI) in solution), the presence of U(VI) affects the stability and structure of the Mn oxide to form poorly ordered Mn oxide tunnel structures, similar to todorokite. EXAFS modeling shows that uranyl is present in these oxides predominantly in the tunnels of the Mn oxide structure in a tridentate complex. Observations by XRD corroborate these results. Structural incorporation may lead to more stable U(VI) sequestration that may be suitable for remediation uses. These observations, combined with the very high uptake capacity of the Mn oxides, imply that Mn-oxidizing bacteria may significantly influence dissolved U(VI) concentrations in impacted waters via sorption and incorporation into Mn oxide biominerals. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. US Geol Survey, Menlo Pk, CA 94025 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Webb, SM (reprint author), Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM samwebb@slac.stanford.edu RI Webb, Samuel/D-4778-2009; Tebo, Bradley/A-8432-2017; OI Webb, Samuel/0000-0003-1188-0464; Tebo, Bradley/0000-0002-6301-4325; Fuller, Christopher/0000-0002-2354-8074 NR 58 TC 42 Z9 52 U1 6 U2 45 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD FEB 1 PY 2006 VL 40 IS 3 BP 771 EP 777 DI 10.1021/es051679f PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 010WC UT WOS:000235227600030 PM 16509317 ER PT J AU Dobson, R Schroth, MH Oostrom, M Zeyer, J AF Dobson, R Schroth, MH Oostrom, M Zeyer, J TI Determination of NAPL-water interfacial areas in well-characterized porous media SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID NONAQUEOUS-PHASE LIQUID; DISSOLUTION; TRANSPORT; SATURATION; MODEL; WETTABILITY; PRESSURE; SOILS AB The nonaqueous-phase liquid (NAPL)-water interfacial area is an important parameter which influences the rate of NAPL dissolution in porous media. The aim of this study was to generate a set of baseline data for specific interfacial area for a two-phase-entrapped NAPL-water system in well-characterized porous media and subsequently use these data to evaluate two current theoretical models. The first model tested distributes entrapped NAPL over the pore classes based on Land's algorithm and assumes the resulting blobs to be spherical. The other model is thermodynamically based, assuming that reversible work done on the system results in an increase in interfacial area, such that the area between drainage and imbibition retention curves can be related to the interfacial area. Interfacial tracer tests (IFTT) were used to measure specific entrapped NAPL (hexadecane)-water interfacial areas in columns packed with four grades (12/20, 20/30, 30/40, 40/50) of silica sand. By use of the anionic surfactant dihexylsulfosuccinate (Aerosol MA80), IFTT gave specific interfacial areas between 58 cm(-1) for the finest sand and 16 cm(-1) for the coarsest, compared to values of between 33 and 7 cm(-1) for the first model and between 19 and 5 cm(-1) for the thermodynamic model. Results from the literature suggest that nonspherical blobs shapes occur relatively frequently; hence it is reasonable to suggest that the assumption of spherical NAPL blobs may explain the underprediction by the first model. The thermodynamic model underestimates the interfacial area because it assumes that entrapment occurs only within the largest pores. A modified version of the latter model, allowing entrapment across all pore classes, yielded values between 58 and 13 cm(-1). Of the models tested the modified thermodynamic model best predicts the interfacial area. C1 ETH, Inst Terr Ecol, CH-8092 Zurich, Switzerland. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Dobson, R (reprint author), ETH, Inst Terr Ecol, CH-8092 Zurich, Switzerland. EM richard.dobson@env.ethz.ch NR 30 TC 26 Z9 28 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD FEB 1 PY 2006 VL 40 IS 3 BP 815 EP 822 DI 10.1021/es050037p PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 010WC UT WOS:000235227600036 PM 16509323 ER PT J AU Hecker, M Murphy, MB Giesy, JP Hopkins, WA AF Hecker, M Murphy, MB Giesy, JP Hopkins, WA TI Induction of cytochrome P4501A in African brown house snake (Lamprophis fuliginosus) primary hepatocytes SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE reptile; aryl hydrocarbon receptor; relative potencies; halogenated aromatic hydrocarbons ID HALOGENATED AROMATIC-HYDROCARBONS; MONO-OXYGENASE SYSTEMS; TROUT CELL BIOASSAY; IN-VITRO; ALLIGATOR-MISSISSIPPIENSIS; POLYCHLORINATED-BIPHENYLS; SPECIES-DIFFERENCES; RELATIVE POTENCIES; CATALYTIC ACTIVITY; O-DEETHYLASE AB Although there have been numerous studies involving fish, birds, and mammals, little is known about the response of the cytochrome P4501 A system of snakes to halogenated aromatic hydrocarbons (HAHs). The present study describes the induction of ethoxyresorufin-O-deethylase (EROD) in primary hepatocytes of the African brown house snake (Lamprophis fuliginosus). Hepatocytes were exposed in multiwell plates to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) and four different non-ortho-substituted coplanar polychlorinated biphenyls (PCBs 77, 81, 126, and 169). Exposure to TCDD and PCB 126 resulted in a dose-dependent increase in EROD activity, with maximum inducible EROD activities of 177 +/- 56 (mean +/- SEM) and 101.1 +/- 55 pmol/min/mg protein for TCDD and PCB 126, respectively. None of the other PCBs caused a measurable induction of EROD, which suggests reduced inducibility of snake hepatocytes compared to some vertebrate taxa. Median effective concentrations (EC50s) were 0.16 +/- 0.03 nM for TCDD and 8.25 +/- 4.14 nM for PCB 126. The relative potency (REP20-80) range for PCB 126 was 0.044 to 0.046. Compared to results from in vitro systems using other vertebrate species, both the maximum inducibility and the REPS estimated for L. fuliginosus were within the same range as those reported for mammals and the more sensitive bird species but were greater than the values reported for most fish species. In conclusion, induction of EROD activity in primary hepatocytes appears to be a useful approach for evaluating the dioxin-like potencies of aryl hydrocarbon-receptor agonists in snakes. The test system offers a method for rapid screening of reptilian responsiveness to these compounds using smaller numbers of organisms than with in vivo studies, an important consideration for many declining reptile species. C1 Michigan State Univ, Ctr Integrat Toxicol, Dept Zool, Natl Food Safety & Toxicol Ctr, E Lansing, MI 48824 USA. City Univ Hong Kong, Dept Biol & Chem, Ctr Coastal Pollut & Conservat, Kowloon, Hong Kong, Peoples R China. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29801 USA. RP Hecker, M (reprint author), Michigan State Univ, Ctr Integrat Toxicol, Dept Zool, Natl Food Safety & Toxicol Ctr, E Lansing, MI 48824 USA. EM heckerm@msu.edu FU NIEHS NIH HHS [T32ES07255] NR 45 TC 6 Z9 6 U1 3 U2 6 PU SETAC PI PENSACOLA PA 1010 NORTH 12TH AVE, PENSACOLA, FL 32501-3367 USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD FEB PY 2006 VL 25 IS 2 BP 496 EP 502 DI 10.1897/05-348R.1 PG 7 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 004ZS UT WOS:000234792000023 PM 16519311 ER PT J AU Karny, M Batist, L Banu, A Becker, F Blazhev, A Brown, B Bruchle, W Doring, J Faestermann, T Gorska, M Grawe, H Janas, Z Jungclaus, A Kavatsyuk, M Kavatsyuk, O Kirchner, R La Commara, M Mandal, S Mazzocchi, C Miernik, K Mukha, I Muralithar, S Plettner, C Plochocki, A Roeckl, E Romoli, M Rykaczewski, K Schadel, M Schmidt, K Schwengner, R Zylicz, J AF Karny, M Batist, L Banu, A Becker, F Blazhev, A Brown, B Bruchle, W Doring, J Faestermann, T Gorska, M Grawe, H Janas, Z Jungclaus, A Kavatsyuk, M Kavatsyuk, O Kirchner, R La Commara, M Mandal, S Mazzocchi, C Miernik, K Mukha, I Muralithar, S Plettner, C Plochocki, A Roeckl, E Romoli, M Rykaczewski, K Schadel, M Schmidt, K Schwengner, R Zylicz, J TI Beta decay of the proton-rich nuclei Sn-102 and Sn-104 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID GAMOW-TELLER STRENGTH; TOTAL ABSORPTION SPECTROMETER; ISOTOPES; IN-102; TIN AB The beta decays of Sn-102 and Sn-104 were studied by using high-resolution germanium detectors as well as a Total Absorption Spectrometer (TAS). For Sn-104, with three new beta-delayed gamma-rays identified, the total Gamow-Teller strength (B-GT) value of 2.7(3) was obtained. For Sn-102, the gamma-gamma coincidence data were collected for the first time, allowing us to considerably extend the decay scheme. This scheme was used to unfold the TAS data and to deduce a B-GT value of 4.2(8) for this decay. This result is compared to shell model predictions, yielding a hindrance factor of 3.6(7) in agreement with those obtained previously for Cd-98 and In-100. Together with the latter two, Sn-102 completes the triplet of Z <= 50, N >= 50 nuclei with two proton holes, one proton hole and one neutron particle, and two neutron particles with respect to the doubly magic Sn-100 core. C1 Univ Warsaw, Inst Phys Expt, Warsaw, Poland. Inst Nucl Phys, St Petersburg, Russia. Gesell Schwerionenforsch mbH, D-6100 Darmstadt, Germany. Univ Sofia, BU-1126 Sofia, Bulgaria. Michigan State Univ, NSCL, Dept Phys & Astron, E Lansing, MI 48824 USA. Tech Univ Munich, D-8000 Munich, Germany. Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. Taras Shevchenko Kiev Natl Univ, Kiev, Ukraine. Univ Naples Federico II, Dipartimento Sci Fisiche, Naples, Italy. Ist Nazl Fis Nucl, I-80125 Naples, Italy. Ctr Nucl Sci, New Delhi, India. Oak Ridge Natl Lab, Oak Ridge, TN USA. Continental Teves AG & Co, Frankfurt, Germany. Forschungszentrum Rossendorf EV, Inst Kern & Hadronenphys, Dresden, Germany. RP Karny, M (reprint author), Univ Warsaw, Inst Phys Expt, Warsaw, Poland. EM karny@mimuw.edu.pl RI Kavatsyuk, Myroslav/K-3159-2013 NR 33 TC 14 Z9 14 U1 2 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD FEB PY 2006 VL 27 IS 2 BP 129 EP 136 DI 10.1140/epja/i2005-10258-0 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 029SW UT WOS:000236585700001 ER PT J AU Johansson, EK Rudolph, D Ekman, J Fahlander, C Andreoiu, C Bentley, MA Carpenter, MP Charity, RJ Clark, RM Fallon, P Janssens, RVF Kondev, FG Khoo, TL Lauritsen, T Macchiavelli, AO Reviol, W Sarantites, DG Seweryniak, D Svensson, CE Williams, SJ AF Johansson, EK Rudolph, D Ekman, J Fahlander, C Andreoiu, C Bentley, MA Carpenter, MP Charity, RJ Clark, RM Fallon, P Janssens, RVF Kondev, FG Khoo, TL Lauritsen, T Macchiavelli, AO Reviol, W Sarantites, DG Seweryniak, D Svensson, CE Williams, SJ TI Gamma-ray spectroscopy of the doubly magic nucleus Ni-56 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID SHELL-MODEL; GAMMASPHERE; DECAY AB The doubly magic N = Z nucleus Ni-56 has been investigated with two fusion-evaporation reactions; Ca-40(Si-28, 3 alpha)Ni-56 at a beam energy of 122MeV and Si-28(S-32, 2p2n)Ni-56 at 130MeV. To detect gamma-rays in coincidence with evaporated particles the Ge-detector array Gammasphere was used in conjunction with the charged-particle detector system, Microball and a 1 pi neutron detector array. Results include a significantly extended level scheme of Ni-56, which is compared to large-scale shell model calculations in the fp shell. The experimental and theoretical results agree to a large extent, with one notable exception; the theoretical model fails to predict the proper sequence of the yrast and yrare 8(+) states. C1 Lund Univ, Dept Phys, S-22100 Lund, Sweden. Univ Keele, Sch Chem & Phys, Keele ST5 5BG, Staffs, England. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Nucl Sci Div, Berkeley, CA 94720 USA. RP Johansson, EK (reprint author), Lund Univ, Dept Phys, Solvegatan 14, S-22100 Lund, Sweden. EM emma.johansson@nuclear.lu.se RI Rudolph, Dirk/D-4259-2009; Ekman, Jorgen/C-1385-2013; Carpenter, Michael/E-4287-2015; OI Rudolph, Dirk/0000-0003-1199-3055; Carpenter, Michael/0000-0002-3237-5734; Charity, Robert/0000-0003-3020-4998 NR 24 TC 8 Z9 8 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD FEB PY 2006 VL 27 IS 2 BP 157 EP 165 DI 10.1140/epja/i2005-10259-y PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 029SW UT WOS:000236585700004 ER PT J AU Ovchinnikov, YN Varlamov, AA AF Ovchinnikov, Y. N. Varlamov, A. A. TI The effect of topological fluctuations on the heat capacity of superconductor SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article AB The effect of topological excitations in the form of small size (r << xi(T)) vortex rings on thermodynamics of a bulk superconductor is considered. These specific short wavelength fluctuations of the order parameter are analogous to small vortex-antivortex pairs in superconducting film which were recently studied in Y.N. Ovchinnikov, A.A. Varlamov, Phys. Rev. Lett. 94, 107007 (2004). The corresponding contribution to the free energy below T-c is calculated. It is shown that fluctuations of this type give the main temperature dependent contribution to the heat capacity of the superconductor in the sufficiently large interval of temperatures below the transition point. Important, that the sign of this contribution is opposite to that one appearing due to the usual long wavelength fluctuation, leading to smearing of the BCS jump of heat capacity. C1 Max Planck Inst Complex Syst, D-01187 Dresden, Germany. Russian Acad Sci, LD Landau Theoret Phys Inst, Chernogolovka 142432, Moscow District, Russia. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. CNR, Coherentia INFM, I-00133 Rome, Italy. RP Ovchinnikov, YN (reprint author), Max Planck Inst Complex Syst, D-01187 Dresden, Germany. EM varlamov@ing.uniroma2.it NR 10 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 EI 1434-6036 J9 EUR PHYS J B JI Eur. Phys. J. B PD FEB PY 2006 VL 49 IS 4 BP 421 EP 424 DI 10.1140/epjb/e2006-00094-0 PG 4 WC Physics, Condensed Matter SC Physics GA 109IG UT WOS:000242300800004 ER PT J AU Voigt, J Kentzinger, E Rucker, U Schweika, W Wermeille, D Schmidt, W Bruckel, T AF Voigt, J. Kentzinger, E. Ruecker, U. Schweika, W. Wermeille, D. Schmidt, W. Brueckel, Th. TI Structural and magnetic properties of [Er vertical bar Tb] multilayers SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID RARE-EARTH SUPERLATTICES; X-RAY; POLARIZATION DEPENDENCE; EXCHANGE SCATTERING; ERBIUM; FILMS; ORDER AB We have investigated the structural and magnetic properties of [Er vertical bar Tb] multilayers by different scattering methods. Diffuse X-ray scattering under grazing incidence reveals the interface structure in [Er vertical bar Tb] bilayers and trilayers, indicating vertically correlated roughness between the Er and Tb interfaces. The magnetic properties of [Er(nEr)vertical bar Tb(nTb)] superlattices have been studied as a function of the superlattice composition (indices denote the number of atomic layers). Coupled ferromagnetic structures exist in all investigated samples. The phase transition temperature varies with the Tb layer thickness. Modulated magnetic order is short range for all samples beside the [Er(20)vertical bar Tb(5)] superlattice, the sample with the smallest Tb layer thickness. We observe dipolar antiferromagnetic coupling between single ferromagnetic Tb layers in all samples, with the onset of this ordering depending on the Tb layer thickness. Due to competing interactions, exchange coupling is limited to the interface near region. Therefore long range modulated magnetic order is observed in the [Er(20)vertical bar Tb(5)] superlattice only, where the interface regions overlap. The distinct differences to the magnetic structure of an Er(0.8)Tb(0.2) alloy film are explained by a highly anisotropic arrangement of neighbouring atoms due to the correlated roughness. C1 Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. Paul Scherrer Inst, Labor Neutronenstreuung, CH-5232 Villigen, Switzerland. US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. RP Voigt, J (reprint author), Forschungszentrum Julich, Inst Festkorperforsch, Postfach 1913, D-52425 Julich, Germany. EM j.voigt@fz-juelich.de RI Bruckel, Thomas/J-2968-2013 OI Bruckel, Thomas/0000-0003-1378-0416 NR 31 TC 2 Z9 2 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD FEB PY 2006 VL 49 IS 4 BP 441 EP 451 DI 10.1140/epjb/e2006-00080-6 PG 11 WC Physics, Condensed Matter SC Physics GA 109IG UT WOS:000242300800007 ER PT J AU Ben-Naim, E Vazquez, F Redner, S AF Ben-Naim, E. Vazquez, F. Redner, S. TI On the structure of competitive societies SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID HIERARCHY FORMATION; MODELS AB We model the dynamics of social structure by a simple interacting particle system. The social standing of an individual agent is represented by an integer-valued fitness that changes via two offsetting processes. When two agents interact one advances: the fitter with probability p and the less fit with probability 1-p. The fitness of an agent may also decline with rate r. From a scaling analysis of the underlying master equations for the fitness distribution of the population, we find four distinct social structures as a function of the governing parameters p and r. These include: (i) a static lower-class society where all agents have finite fitness; (ii) an upwardly-mobile middle-class society; (iii) a hierarchical society where a finite fraction of the population belongs to a middle class and a complementary fraction to the lower class; (iv) an egalitarian society where all agents are upwardly mobile and have nearly the same fitness. We determine the basic features of the fitness distributions in these four phases. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ebn@lanl.gov; fvazquez@buphy.bu.edu; redner@bu.edu RI Ben-Naim, Eli/C-7542-2009 OI Ben-Naim, Eli/0000-0002-2444-7304 NR 31 TC 22 Z9 22 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD FEB PY 2006 VL 49 IS 4 BP 531 EP 538 DI 10.1140/epjb/e2006-00095-y PG 8 WC Physics, Condensed Matter SC Physics GA 109IG UT WOS:000242300800016 ER PT J AU Ayvazyan, V Baboi, N Bahr, J Balandin, V Beutner, B Brandt, A Bohnet, I Bolzmann, A Brinkmann, R Brovko, OI Carneiro, JP Casalbuoni, S Castellano, M Castro, P Catani, L Chiadroni, E Choroba, S Cianchi, A Delsim-Hashemi, H Di Pirro, G Dohlus, M Dusterer, S Edwards, HT Faatz, B Fateev, AA Feldhaus, J Flottmann, K Frisch, J Frohlich, L Garvey, T Gensch, U Golubeva, N Grabosch, HJ Grigoryan, B Grimm, O Hahn, U Han, JH Hartrott, MV Honkavaara, K Huning, M Ischebeck, R Jaeschke, E Jablonka, M Kammering, R Katalev, V Keitel, B Khodyachykh, S Kim, Y Kocharyan, V Korfer, M Kollewe, M Kostin, D Kramer, D Krassilnikov, M Kube, G Lilje, L Limberg, T Lipka, D Lohl, F Luong, M Magne, C Menzel, J Michelato, P Miltchev, V Minty, M Moller, WD Monaco, L Muller, W Nagl, M Napoly, O Nicolosi, P Nolle, D Nunez, T Oppelt, A Pagani, C Paparella, R Petersen, B Petrosyan, B Pfluger, J Piot, P Plonjes, E Poletto, L Proch, D Pugachov, D Rehlich, K Richter, D Riemann, S Ross, M Rossbach, J Sachwitz, M Saldin, EL Sandner, W Schlarb, H Schmidt, B Schmitz, M Schmuser, P Schneider, JR Schneidmiller, EA Schreiber, HJ Schreiber, S Shabunov, AV Sertore, D Setzer, S Simrock, S Sombrowski, E Staykov, L Steffen, B Stephan, F Stulle, F Sytchev, KP Thom, H Tiedtke, K Tischer, M Treusch, R Trines, D Tsakov, I Vardanyan, A Wanzenberg, R Weiland, T Weise, H Wendt, M Will, I Winter, A Wittenburg, K Yurkov, MV Zagorodnov, I Zambolin, P Zapfe, K AF Ayvazyan, V Baboi, N Bahr, J Balandin, V Beutner, B Brandt, A Bohnet, I Bolzmann, A Brinkmann, R Brovko, OI Carneiro, JP Casalbuoni, S Castellano, M Castro, P Catani, L Chiadroni, E Choroba, S Cianchi, A Delsim-Hashemi, H Di Pirro, G Dohlus, M Dusterer, S Edwards, HT Faatz, B Fateev, AA Feldhaus, J Flottmann, K Frisch, J Frohlich, L Garvey, T Gensch, U Golubeva, N Grabosch, HJ Grigoryan, B Grimm, O Hahn, U Han, JH Hartrott, MV Honkavaara, K Huning, M Ischebeck, R Jaeschke, E Jablonka, M Kammering, R Katalev, V Keitel, B Khodyachykh, S Kim, Y Kocharyan, V Korfer, M Kollewe, M Kostin, D Kramer, D Krassilnikov, M Kube, G Lilje, L Limberg, T Lipka, D Lohl, F Luong, M Magne, C Menzel, J Michelato, P Miltchev, V Minty, M Moller, WD Monaco, L Muller, W Nagl, M Napoly, O Nicolosi, P Nolle, D Nunez, T Oppelt, A Pagani, C Paparella, R Petersen, B Petrosyan, B Pfluger, J Piot, P Plonjes, E Poletto, L Proch, D Pugachov, D Rehlich, K Richter, D Riemann, S Ross, M Rossbach, J Sachwitz, M Saldin, EL Sandner, W Schlarb, H Schmidt, B Schmitz, M Schmuser, P Schneider, JR Schneidmiller, EA Schreiber, HJ Schreiber, S Shabunov, AV Sertore, D Setzer, S Simrock, S Sombrowski, E Staykov, L Steffen, B Stephan, F Stulle, F Sytchev, KP Thom, H Tiedtke, K Tischer, M Treusch, R Trines, D Tsakov, I Vardanyan, A Wanzenberg, R Weiland, T Weise, H Wendt, M Will, I Winter, A Wittenburg, K Yurkov, MV Zagorodnov, I Zambolin, P Zapfe, K TI First operation of a free-electron laser generating GW power radiation at 32 nm wavelength SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article ID AMPLIFIED SPONTANEOUS EMISSION; TESLA-TEST-FACILITY; FEL; VUV AB Many scientific disciplines ranging from physics, chemistry and biology to material sciences, geophysics and medical diagnostics need a powerful X-ray source with pulse lengths in the femtosecond range [1-4]. This would allow, for example, time-resolved observation of chemical reactions with atomic resolution. Such radiation of extreme intensity, and tunable over a wide range of wavelengths, can be accomplished using high-gain free-electron lasers (FEL) [5-10]. Here we present results of the first successful operation of an FEL at a wavelength of 32 nm, with ultra-short pulses (25 fs FWHM), a peak power at the Gigawatt level, and a high degree of transverse and longitudinal coherence. The experimental data are in full agreement with theory. This is the shortest wavelength achieved with an FEL to date and an important milestone towards a user facility designed for wavelengths down to 6 nm. With a peak brilliance exceeding the state-of-the-art of synchrotron radiation sources [4] by seven orders of magnitude, this device opens a new field of experiments, and it paves the way towards sources with even shorter wavelengths, such as the Linac Coherent Light Source [3] at Stanford, USA, and the European X-ray Free Electron Laser Facility [4] in Hamburg, Germany. C1 DESY, Deutsch Elektron Synchrotron, D-22603 Hamburg, Germany. CEA Saclay, F-91191 Gif Sur Yvette, France. Univ Wurzburg, Inst Theoret Phys & Astrophys, D-97074 Wurzburg, Germany. BESSY GmbH, D-12489 Berlin, Germany. Ctr Advancement Nat Discoveries Using Light Emiss, CANDLE, Yerevan 375040, Armenia. Tech Univ Darmstadt, Inst TEMF, D-64289 Darmstadt, Germany. DESY, Deutsch Elektronen Synchrotron, D-15738 Zeuthen, Germany. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Hamburg, Inst Expt Phys, D-22761 Hamburg, Germany. Univ Padua, Dept Informat Engn, INFM, I-35131 Padua, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. INFN Milano, LASA, I-20090 Segrate, MI, Italy. INRN Roma 2, I-00100 Rome, Italy. Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, BU-1784 Sofia, Bulgaria. Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. Univ Paris 11, CNRS, IN2P3, Accelerateur Lineaire Lab, F-91898 Orsay, France. Max Born Inst, D-12489 Berlin, Germany. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Ayvazyan, V (reprint author), DESY, Deutsch Elektron Synchrotron, Notkestr 85, D-22603 Hamburg, Germany. EM joerg.rossbach@desy.de RI Cianchi, Alessandro/H-1493-2012; Feldhaus, Josef/C-1130-2014; Treusch, Rolf/C-3935-2015; Cianchi, Alessandro/A-9581-2016; OI Cianchi, Alessandro/0000-0002-9631-2505; Chiadroni, Enrica/0000-0003-0350-8590; Treusch, Rolf/0000-0001-8479-8862; Simrock, Stefan/0000-0002-1116-5316 NR 33 TC 250 Z9 253 U1 7 U2 40 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD FEB PY 2006 VL 37 IS 2 BP 297 EP 303 DI 10.1140/epjd/e2005-00308-1 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 006VF UT WOS:000234924900021 ER PT J AU Bankiewicz, KS Daadi, M Pivirotto, P Bringas, J Sanftner, L Cunningham, J Forsayeth, JR Eberling, JL AF Bankiewicz, KS Daadi, M Pivirotto, P Bringas, J Sanftner, L Cunningham, J Forsayeth, JR Eberling, JL TI Focal striatal dopamine may potentiate dyskinesias in parkinsonian monkeys SO EXPERIMENTAL NEUROLOGY LA English DT Article DE dyskinesias; MPTP; AADC; AAV; L-dopa; Parkinson's disease; monkey; striatum; dopamine ID LEVODOPA-INDUCED DYSKINESIAS; GENE-EXPRESSION; DISEASE; TRANSPLANTATION; PRIMATES; NEURONS; LESIONS; PLASMA; MODEL; RATS AB Striatal neurons convert L-dopa to dopamine (DA) following gene transfer of aromatic L-amino acid decarboxylase (AADC) via adeno-associated virus (AAV) in parkinsonian monkeys. We investigated whether AAV-AADC could reduce or eliminate L-dopa-induced dyskinesias (LIDs) and side effects in MPTP-treated monkeys. Five monkeys were made parkinsonian by bilateral MPTP lesions. The optimal therapeutic dose Of L-dopa was determined using an acute dose response regimen. After 3 weeks of chronic L-dopa treatment, AAV-AADC or control vector was bilaterally injected into the striatum. Animals were assessed for 6 months with the same L-dopa dosing as presurgery as well as chronic oral L-dopa treatment. Presurgery LID was observed at doses greater than 5 mg/kg. The AAV-AADC-treated animals displayed an average 7.3-fold decrease in the therapeutic dose Of L-dopa throughout the 6-month follow-up period. Only AAV-AADC-treated monkeys were susceptible to dyskinesias even at sub-clinical doses. Immunohistochemical analysis revealed well-delineated foci of AADC within the striatum. These results suggest that high levels of focal DA were generated in response to L-dopa administration and may be responsible for the exacerbation of dyskinesias. This may be similar to focal dopaminergic activity in PD patients that developed off-drug or "runaway" dyskinesias following fetal rnesencephalic grafts. (c) 2005 Elsevier Inc. All rights reserved. C1 Univ Calif San Francisco, Dept Neurol Sci, San Francisco, CA 94103 USA. Avigen Inc, Alameda, CA 94502 USA. Lawrence Berkeley Lab, Dept Funct Imaging, Berkeley, CA 94720 USA. RP Bankiewicz, KS (reprint author), Univ Calif San Francisco, Dept Neurol Sci, Miss Ctr Bldg 0555,1855 Folsom St,Room 230, San Francisco, CA 94103 USA. EM kbank@itsa.ucsf.edu FU NINDS NIH HHS [R21 NS43707, R01 NS050156, U54 NS045309-010001, R01 NS050156-02, U54 NS045309] NR 31 TC 35 Z9 36 U1 1 U2 2 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0014-4886 J9 EXP NEUROL JI Exp. Neurol. PD FEB PY 2006 VL 197 IS 2 BP 363 EP 372 DI 10.1016/j.expneurol.2005.10.022 PG 10 WC Neurosciences SC Neurosciences & Neurology GA 009RV UT WOS:000235131000012 PM 16337943 ER PT J AU Zangar, RC Daly, DS White, AM AF Zangar, Richard C. Daly, Don S. White, Amanda M. TI ELISA microarray technology as a high-throughput system for cancer biomarker validation SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE antibody; biomarkers; cancer; detection; ELISA; microarray; normalization; profile; quality control; statistics ID ANTIBODY MICROARRAYS; PROTEIN MICROARRAYS; PLASMA-PROTEOME; DISCOVERY; DISEASE; NORMALIZATION; IMMUNOASSAYS; PROMISE; PROJECT; FORMAT AB A large gap currently exists between the ability to discover potential biomarkers and the ability to assess the real value of these proteins for cancer screening. One major challenge in biomarker validation is the inherent variability in biomarker levels. This variability stems from the diversity across the human population and the considerable molecular heterogeneity between individual tumors, even those that originate from a single tissue. An additional challenge with cancer screening is that most cancers are rare in the general population, meaning that assay specificity must be very high. Otherwise, the number of false positives will be much greater than the number of true positives. Due to these challenges associated with biomarker validation, it is necessary to analyze thousands of samples in order to obtain a clear idea of the utility of a screening assay. Enzyme-linked immunosorbent assay (ELISA) microarray technology can simultaneously quantify levels of multiple proteins and, thus, has the potential to accelerate validation of protein biomarkers for clinical use. This review will discuss current ELISA microarray technology and potential advances that could help to achieve the reproducibility and throughput that are required to evaluate cancer biomarkers. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zangar, RC (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM richard.zangar@pnl.gov FU NCI NIH HHS [CA97536, CA117378] NR 39 TC 63 Z9 67 U1 2 U2 38 PU FUTURE DRUGS LTD PI LONDON PA UNITEC HOUSE, 3RD FL, 2 ALBERT PLACE, FINCHLEY CENTRAL, LONDON N3 1QB, ENGLAND SN 1478-9450 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD FEB PY 2006 VL 3 IS 1 BP 37 EP 44 DI 10.1586/14789450.3.1.37 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 089YZ UT WOS:000240919100010 PM 16445349 ER PT J AU Dattelbaum, AM Iyer, S AF Dattelbaum, Andrew M. Iyer, Srinivas TI Surface-assisted laser desorption/ionization mass spectrometry SO EXPERT REVIEW OF PROTEOMICS LA English DT Review DE DIOS; proteomics; SALDI-MS; small molecules; surface ID OXIDIZED CARBON NANOTUBES; MALDI-TOF-MS; POROUS SILICON; LIQUID-CHROMATOGRAPHY; SMALL MOLECULES; MATRIX; DESORPTION; FILMS; IONIZATION; PROTEINS AB Laser desorption/ionization mass spectrometry (MS) is rapidly growing in popularity as an analytical characterization method in several fields. The technique shot to prominence using matrix-assisted desorption/ionization for large biomolecules (>700 Da), such as proteins, peptides and nucleic acids. However, because the matrix, which consists of small organic molecules, is also ionized, the technique is of limited use in the low-molecular-mass range (<700 Da). Recent advances in surface science have facilitated the development of matrix-free laser desorption/ionization MS approaches, which are referred to here as surface-assisted laser desorption/ionization (SALDI) MS. In contrast to traditional matrix-assisted techniques, the materials used for SALDI-MS are not ionized, which expands the usefulness of this technique to small-molecule analyses. This review discusses the current status of SALDI-MS as a standard analytical technique, with an emphasis on potential applications in proteomics. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Iyer, S (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM siyer@lanl.gov NR 57 TC 34 Z9 35 U1 2 U2 35 PU FUTURE DRUGS LTD PI LONDON PA UNITEC HOUSE, 3RD FL, 2 ALBERT PLACE, FINCHLEY CENTRAL, LONDON N3 1QB, ENGLAND SN 1478-9450 J9 EXPERT REV PROTEOMIC JI Expert Rev. Proteomics PD FEB PY 2006 VL 3 IS 1 BP 153 EP 161 DI 10.1586/14789450.3.1.153 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 089YZ UT WOS:000240919100020 PM 16445359 ER PT J AU Rosenberg, OS Deindl, S Comolli, LR Hoelz, A Downing, KH Nairn, AC Kuriyan, J AF Rosenberg, OS Deindl, S Comolli, LR Hoelz, A Downing, KH Nairn, AC Kuriyan, J TI Oligomerization states of the association domain and the holoenyzme of Ca2+/CaM kinase II SO FEBS JOURNAL LA English DT Article DE association domain; Ca2+/calmodulin dependent protein kinase II; holoenzyme; kinase activation; oligomerization ID DEPENDENT PROTEIN-KINASE; CAM KINASE; CA-2+-INDEPENDENT ACTIVITY; AUTOPHOSPHORYLATION SITES; SELF-ASSOCIATION; CALMODULIN; CALCIUM; ALPHA; IDENTIFICATION; RECONSTRUCTIONS AB Ca2+/calmodulin activated protein kinase II (CaMKII) is an oligomeric protein kinase with a unique holoenyzme architecture. The subunits of CaMKII are bound together into the holoenzyme by the association domain, a C-terminal region of approximate to 140 residues in the CaMKII polypeptide. Single particle analyses of electron micrographs have suggested previously that the holoenyzme forms a dodecamer that contains two stacked 6-fold symmetric rings. In contrast, a recent crystal structure of the isolated association domain of mouse CaMKII alpha has revealed a tetradecameric assembly with two stacked 7-fold symmetric rings. In this study, we have determined the crystal structure of the Caenorhabditis elegans CaMKII association domain and it too forms a tetradecamer. We also show by electron microscopy that in its fully assembled form the CaMKII holoenzyme is a dodecamer but without the kinase domains, either from expression of the isolated association domain in bacteria or following their removal by proteolysis, the association domains form a tetradecamer. We speculate that the holoenzyme is held in its 6-fold symmetric state by the interactions of the N-terminal approximate to 1-335 residues and that the removal of this region allows the association domain to convert into a more stable 7-fold symmetric form. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Yale Univ, Sch Med, Dept Cell Biol, New Haven, CT 06510 USA. Yale Univ, Dept Psychiat 4, New Haven, CT 06510 USA. Rockefeller Univ, New York, NY 10021 USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu OI Nairn, Angus/0000-0002-7075-0195; Deindl, Sebastian/0000-0001-6807-8654 NR 40 TC 47 Z9 51 U1 0 U2 3 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1742-464X J9 FEBS J JI FEBS J. PD FEB PY 2006 VL 273 IS 4 BP 682 EP 694 DI 10.1111/j.1742-4658.2005.05088.x PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 007MU UT WOS:000234974600002 PM 16441656 ER PT J AU Sakharkar, KR Sakharkar, MK Culiat, CT Chow, VTK Pervaiz, S AF Sakharkar, KR Sakharkar, MK Culiat, CT Chow, VTK Pervaiz, S TI Functional and evolutionary analyses on expressed intronless genes in the mouse genome SO FEBS LETTERS LA English DT Article DE intronless; single exonic genes; housekeeping; ortholog; mouse models; human disease ID PROTEIN; DATABASE; IDENTIFICATION AB Using computational approaches we have identified 2017 expressed intronless genes in the mouse genome. Evolutionary analysis reveals that 56 intronless genes are conserved among the three domains of life - bacteria, archea and eukaryotes. These highly conserved intronless genes were found to be involved in essential housekeeping functions. About 80% of expressed mouse intronless genes have orthologs in eukaryotic genomes only, and thus are specific to eukaryotic organisms. 608 of these genes have intronless human orthologs and 302 of these orthologs have a match in OMIM database. Investigation into these mouse genes will be important in generating mouse models for understanding human diseases. (c) 2006 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved. C1 Natl Univ Singapore, Yong Loo Lin Sch Med, Inst Med, Singapore 117548, Singapore. Nanyang Technol Univ, Nanyang Ctr Supercomp & Visualisat, Singapore, Singapore. Oak Ridge Natl Lab, Mammalian Genet & Genom Grp Life Sci, Oak Ridge, TN 37831 USA. Natl Univ Singapore, Yong Loo Lin Sch Med, Dept Microbiol, Singapore 117548, Singapore. Natl Univ Singapore, Yong Loo Lin Sch Med, NUS Grad Sch Integrat Sci & Engn, Dept Physiol,Oncol Res Inst, Singapore 117597, Singapore. RP Pervaiz, S (reprint author), Natl Univ Singapore, Yong Loo Lin Sch Med, Inst Med, Singapore 117548, Singapore. EM phssp@nus.edu.sg RI Pervaiz, Shazib/C-4188-2015 NR 23 TC 18 Z9 18 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0014-5793 EI 1873-3468 J9 FEBS LETT JI FEBS Lett. PD FEB PY 2006 VL 580 IS 5 BP 1472 EP 1478 DI 10.1016/j.febslet.2006.01.070 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 016CG UT WOS:000235597700043 PM 16469316 ER PT J AU Gaillard, MK AF Gaillard, MK TI Effective supergravity from the weakly coupled heterotic string SO FORTSCHRITTE DER PHYSIK-PROGRESS OF PHYSICS LA English DT Article; Proceedings Paper CT Symposium in Honor of the 70th Birthday of Julius Wess CY JAN 10-11, 2005 CL Max Planck Inst Physics, Munich, GERMANY HO Max Planck Inst Physics ID YANG-MILLS MATTER; MODULAR INVARIANT SUPERGRAVITY; SOFT SUPERSYMMETRY BREAKING; EFFECTIVE FIELD-THEORIES; SIGMA-MODEL ANOMALIES; ONE-LOOP; GAUGINO CONDENSATION; SUPERSTRING THEORY; CHIRAL MATTER; MU-TERM AB The motivation for Calabi-Yau-like compactifications of the weakly coupled E-8 circle times E-8 heterotic string theory, its particle spectrum and the issue of dilaton stabilization are briefly reviewed. Modular invariant models for hidden sector condensation and supersymmetry breaking are described at the quantum level of the effective field theory. Their phenomenological and cosmological implications, including a possible origin for R-parity, are discussed. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Phys, 50A-5101, Berkeley, CA 94720 USA. EM mkgaillard@lbl.gov NR 61 TC 0 Z9 0 U1 0 U2 0 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0015-8208 EI 1521-3978 J9 FORTSCHR PHYS JI Fortschritte Phys.-Prog. Phys. PD FEB-MAR PY 2006 VL 54 IS 2-3 BP 90 EP 101 DI 10.1002/prop.200510258 PG 12 WC Physics, Multidisciplinary SC Physics GA 020TF UT WOS:000235933400003 ER PT J AU Zumino, B AF Zumino, B TI Supersymmetry then and now SO FORTSCHRITTE DER PHYSIK-PROGRESS OF PHYSICS LA English DT Article; Proceedings Paper CT Symposium in Honor of the 70th Birthday of Julius Wess CY JAN 10-11, 2005 CL Max Planck Inst Physics, Munich, GERMANY HO Max Planck Inst Physics ID COSMOLOGICAL CONSTANT AB A brief description of some salient aspects of four-dimensional supersymmetry: early history, supermanifolds, the MSSM, cold dark matter, the cosmological constant and the string landscape. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. NR 14 TC 2 Z9 2 U1 0 U2 0 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0015-8208 J9 FORTSCHR PHYS JI Fortschritte Phys.-Prog. Phys. PD FEB-MAR PY 2006 VL 54 IS 2-3 BP 199 EP 204 DI 10.1002/prop.200510268 PG 6 WC Physics, Multidisciplinary SC Physics GA 020TF UT WOS:000235933400013 ER PT J AU Morley, NB Abdou, MA Anderson, M Calderoni, P Kurtz, RJ Nygren, R Raffray, R Sawan, M Sharpe, P Smolentsev, S Willms, S Ying, AY AF Morley, NB Abdou, MA Anderson, M Calderoni, P Kurtz, RJ Nygren, R Raffray, R Sawan, M Sharpe, P Smolentsev, S Willms, S Ying, AY TI Overview of fusion nuclear technology in the US SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE blanket; first wall; tritium; plasma facing components; safety; ITER ID POWER DENSITY CONCEPTS; FE; INTERFACE; TRITIUM; PLANT; IFE AB Fusion nuclear technology (FNT) research in the United States encompasses many activities and requires expertise and capabilities in many different disciplines. The US Enabling Technology program is divided into several task areas, with aspects of magnet fusion energy (MFE) fusion nuclear technology being addressed mainly in the Plasma Chamber, Neutronics, Safety, Materials, Tritium and Plasma Facing Component Programs. These various programs work together to address key FNT topics, including support for the ITER basic machine and the ITER Test Blanket Module, support for domestic plasma experiments, and development of DEMO relevant material and technological systems for blankets, shields, and plasma facing components. In addition, two inertial fusion energy (IFE) research programs conducting FNT-related research for IFE are also described. While it is difficult to describe all these activities in adequate detail, this paper gives an overview of critical FNT activities. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Los Angeles, MAE Dept, Los Angeles, CA 90095 USA. Univ Wisconsin, Madison, WI USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Calif San Diego, San Diego, CA 92103 USA. Idaho Natl Lab, Idaho Falls, ID USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Morley, NB (reprint author), Univ Calif Los Angeles, MAE Dept, 43-133 E-4, Los Angeles, CA 90095 USA. EM morley@fusion.ucla.edu OI Calderoni, Pattrick/0000-0002-2316-6404 NR 23 TC 5 Z9 5 U1 2 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 33 EP 43 DI 10.1016/j.fusengdes.2005.06.359 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500005 ER PT J AU Sauthoff, NR AF Sauthoff, NR TI US contributions to ITER SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE ITER; tokamak; burning plasmas; magnets; project management; international collaboration AB The United States participates in the ITER project to undertake the study of the science and technology of burning plasmas. The 2003 U.S. decision to enter the ITER negotiations followed an extensive series of community and governmental reviews of the benefits, readiness, and approaches to the study of burning plasmas. This paper describes both the technical and the organizational preparations and plans for U.S. participation in the ITER construction activity: in-kind contributions, staff contributions, and cash contributions as well as supporting physics and technology research. Near-term technical activities focus on the completion of R&D and design and mitigation of risks in the areas of provisionally assigned US contributions. Outside the project, the U.S. is engaged in preparations for the test blanket module program. Organizational activities focus on preparations of the project management arrangements to maximize the overall success of the ITER project: elements include refinement of U.S. positions on the international arrangements, the establishment of the U.S. Domestic Agency, progress along the path of the U.S. Department of Energy's Project Management Order, and overall preparations for commencement of the fabrication of major items of equipment and for provision of staff and cash as specified in the upcoming ITER agreement. (c) 2005 Elsevier B.V. All rights reserved. C1 Princeton Univ, DOE Princeton Plasma Phys Lab MS 37, US ITER Project Off, Princeton, NJ 08543 USA. RP Sauthoff, NR (reprint author), Princeton Univ, DOE Princeton Plasma Phys Lab MS 37, US ITER Project Off, POB 451, Princeton, NJ 08543 USA. EM nsauthoff@pppl.gov NR 1 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 87 EP 92 DI 10.1016/j.fusengdes.2005.07.005 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500010 ER PT J AU Nagasaka, T Muroga, T Li, MM Hoelzer, DT Zinkle, SJ Grossbeck, ML Matsui, H AF Nagasaka, T Muroga, T Li, MM Hoelzer, DT Zinkle, SJ Grossbeck, ML Matsui, H TI Tensile property of low activation vanadium alloy after liquid lithium exposure SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE first wall/blanket materials; impurity effect; mechanical property ID PRECIPITATION BEHAVIOR; TI ALLOYS; V-4CR-4TI; RECRYSTALLIZATION AB A candidate low activation vanadium (V) alloy, V-4Cr-4Ti (NIFS-HEAT-2), was exposed to liquid lithium (Li) at 973 and 1073 K for up to 1963 h. Contamination by carbon (C) and nitrogen (N) from the Li on the order of thousands of wppm were observed. Oxygen (O) levels were reduced to the several 10 wppm level by Li exposure at 1073 K, but not at 973 K. The Li exposure caused strength degradation as measured by tensile tests at 973 and 1073 K. On the other hand, good ductility was demonstrated after the Li exposure even with the significant contamination of C and N. From microstructural observations, C and N are likely to be scavenged by Ti-C-N type precipitates. Reduction of O was attributed to disappearance of Ti-C-O type precipitates. (c) 2005 Published by Elsevier B.V. C1 Natl Inst Fus Sci, Gifu 5095292, Japan. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. Tohoku Univ, Mat Res Inst, Aoba Ku, Sendai, Miyagi 9808577, Japan. RP Nagasaka, T (reprint author), Natl Inst Fus Sci, Oroshi 322-6, Gifu 5095292, Japan. EM nagasaka@nifs.ac.jp RI Hoelzer, David/L-1558-2016; OI Zinkle, Steven/0000-0003-2890-6915 NR 13 TC 11 Z9 11 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 307 EP 313 DI 10.1016/j.fusengdes.2005.09.029 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500043 ER PT J AU Glazunov, GP Andreev, AA Baron, DI Causey, RA Hassanein, A Kitayevskiy, KM Konotopskiy, AL Lapshin, VI Neklyudov, IM Patokin, AP Surkov, AE Volkov, ED AF Glazunov, GP Andreev, AA Baron, DI Causey, RA Hassanein, A Kitayevskiy, KM Konotopskiy, AL Lapshin, VI Neklyudov, IM Patokin, AP Surkov, AE Volkov, ED TI Hydrogen permeability and erosion behavior of W-Pd bimetallic systems SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE plasma-material interaction; Tungsten; erosion; hydrogen; permeation ID PLASMA; DIFFUSION; PALLADIUM; TUNGSTEN AB The erosion behavior of W-Pd bimetallic systems has been investigated for both hydrogen-saturated (H/Pd similar to 0.65) and unsaturated states during impact of a steady-state nitrogen plasma from a mirror Penning discharge. An essential decrease by factors of about 2-5 in the erosion rate of W was observed for hydrogen-saturated W-Pd samples in the nitrogen ion energy range from 0.8 to 1.6keV. Possible reasons for this erosion behavior are discussed. Isotherms and isobars of hydrogen permeability through W-Pd systems were measured in the temperature range of 573-973 K and hydrogen pressure range of 1.33 x 10(2) to 10(5) Pa. It is shown that the limiting stage of permeation process is, most likely, the diffusion in the W film. The activation energy of hydrogen permeability was determined to be similar to 12 kJ/mol, this being much lower than the literature data for bulk tungsten at molecular hydrogen-driven permeation. Possible mechanisms are suggested and analyzed to explain the observed decrease in the activation energy of hydrogen penetration through W-Pd systems. (c) 2005 Elsevier B.V. All rights reserved. C1 Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-61108 Kharkov, Ukraine. Sandia Natl Labs, Livermore, CA 94550 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Glazunov, GP (reprint author), Kharkov Phys & Technol Inst, Natl Sci Ctr, UA-61108 Kharkov, Ukraine. EM glazunov@ipp.kharkov.ua NR 16 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 375 EP 380 DI 10.1016/j.fusengdes.2005.08.034 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500053 ER PT J AU Nygren, RE Ulrickson, MA Tanaka, TJ Youchison, DL Lutz, TJ Bullock, J Hollis, KJ AF Nygren, RE Ulrickson, MA Tanaka, TJ Youchison, DL Lutz, TJ Bullock, J Hollis, KJ TI ITER first wall module 18 - The US effort SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE first wall materials; beryllium; joining; fabrication; Eddy currents; plasma facing components ID DESIGN; CONSTRUCTION; COMPONENTS AB The US will supply outboard Module 18 for the International Thermonuclear Experimental Reactor. This module, radially thinner than other modules with a "nose" that curves radially outward to mate with the divertor, has the potential for high electromagnetic (EM) loads from vertical displacement events and high heat loads. The 316LN-IG shield block and first wall (FW) panels must be slotted to mitigate the EM loads and progress in developing the design is summarized. The FW has beryllium (Be) armor joined to a water-cooled CuCrZr heat sink with embedded 316LN-IG cooling channels. The US Team is considering possible fabrication methods as the design develops. Brief results of high heat flux experiments at Sandia on mockups with plasma-sprayed Be armor prepared at Los Alamos National Laboratory are noted. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nygren, RE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM renygre@sanida.gov OI Youchison, Dennis/0000-0002-7366-1710 NR 13 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 387 EP 392 DI 10.1016/j.fusengdes.2005.06.362 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500055 ER PT J AU Ying, A Abdou, M Wong, C Malang, S Morley, N Sawan, M Merrill, B Sze, DK Kurtz, R Willms, S Ulrickson, M Zinkle, S AF Ying, A Abdou, M Wong, C Malang, S Morley, N Sawan, M Merrill, B Sze, DK Kurtz, R Willms, S Ulrickson, M Zinkle, S TI An overview of USITER test blanket module program SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE ITER test blanket module program; helium-cooled solid breeder blanket; dual-coolant lead-lithium breeder blanket ID BREEDER BLANKET; REQUIREMENTS; DESIGN; ISSUES; ITER AB A testing strategy and corresponding test plan have been presented for the two proposed US candidate breeder blankets: (1) a helium-cooled solid breeder concept with ferritic steel structure and Be neutron multiplier, but without a fully independent TBM and (2) a dual-coolant helium-cooled ferritic steel structure with self-cooled LiPb breeding zone that uses a flow channel insert as MHD and thermal insulator. Example test module designs and configuration choices for each line of ITER TBM are shown and discussed in the paper. In addition, near-term R&D items for decision-making on testing of both solid breeder and dual-coolant PbLi liquid breeder blanket concepts in ITER are identified. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Gen Atom, Fus Div, San Diego, CA USA. Fus Nucl Technol Consulting, Linkenheim, Germany. Univ Wisconsin, Madison, WI USA. Idaho Natl Labs, Idaho Falls, ID USA. Univ Calif San Diego, San Diego, CA USA. Los Alamos Natl Lab, Los Alamos, NM USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Ying, A (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90024 USA. EM ying@fusion.ucla.edu OI Zinkle, Steven/0000-0003-2890-6915 NR 14 TC 16 Z9 23 U1 2 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 433 EP 441 DI 10.1016/j.fusengdes.2005.06.379 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500060 ER PT J AU Wong, CPC Malang, S Sawan, M Dagher, M Smolentsev, S Merrill, B Youssef, M Reyes, S Sze, DK Morley, NB Sharafat, S Calderoni, P Sviatoslavsky, G Kurtz, R Fogarty, P Zinkle, S Abdou, M AF Wong, CPC Malang, S Sawan, M Dagher, M Smolentsev, S Merrill, B Youssef, M Reyes, S Sze, DK Morley, NB Sharafat, S Calderoni, P Sviatoslavsky, G Kurtz, R Fogarty, P Zinkle, S Abdou, M TI An overview of dual coolant Pb-17Li breeder first wall and blanket concept development for the USITER-TBM design SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE blanket; Pb-17Li breeder; dual-coolant; helium-cooled; ITER-TBM ID POWER CONVERSION; SYSTEM AB An attractive blanket concept for the fusion reactor is the dual coolant Pb-17Li liquid (DCLL) breeder design. Reduced activation ferritic steel (RAFS) is used as the structural material. Helium is used to cool the first wall and blanket structure, and the self-cooled breeder Pb-17Li is circulated for power conversion and for tritium breeding. A SiCf/SiC composite insert is used as the magnetohydrodynamic (MHD) insulation to reduce the impact from the MHD pressure drop of the circulating Pb-17Li and as the thermal insulator to separate the high temperature Pb-17Li from the helium cooled RAFS structure. For the reference tokamak power reactor design, this blanket concept has the potential of satisfying the design limits of RAFS while allowing the feasibility of having a high Pb-17Li outlet temperature of 700 degrees C. We have identified critical issues for the concept, some of which include the first wall design, the assessment of MHD effects with the SiC-composite flow coolant insert, and the extraction and control of the bred tritium from the Pb-17Li breeder. R&D programs have been proposed to address these issues. At the same time we have proposed a test plan for the DCLL ITER-Test Blanket Module program. (c) 2005 Elsevier B.V. All rights reserved. C1 Gen Atom Co, San Diego, CA 92186 USA. Fus Nucl Technol Consulting, Linkenheim, Germany. Univ Wisconsin, Madison, WI USA. Univ Calif Los Angeles, Los Angeles, CA USA. INEEL, Idaho Falls, ID USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif San Diego, San Diego, CA USA. Pacific NW Natl Lab, Richland, WA USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Wong, CPC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM wongc@fusion.gat.com OI Zinkle, Steven/0000-0003-2890-6915; Calderoni, Pattrick/0000-0002-2316-6404 NR 12 TC 76 Z9 81 U1 2 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 461 EP 467 DI 10.1016/j.fusengdes.2005.05.012 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500064 ER PT J AU Simpson, MF Smolik, GR Sharpe, JP Anderl, RA Petti, DA Hatano, Y Hara, M Oya, Y Fukada, S Tanaka, S Terai, T Sze, DK AF Simpson, MF Smolik, GR Sharpe, JP Anderl, RA Petti, DA Hatano, Y Hara, M Oya, Y Fukada, S Tanaka, S Terai, T Sze, DK TI Quantitative measurement of beryllium-controlled redox of hydrogen fluoride in molten Flibe SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE redox; beryllium; Flibe; corrosion; kinetics AB In order to investigate the viability of using Be as a redox agent in a molten Flibe (2LiF-BeF2) blanket, a series of kinetics experiments were performed in which HF was bubbled through Flibe with varying concentrations of dissolved Be. The feed gas consisted of 910-1800 ppm HF and 0.1-0.2 vol.% H-2, with the balance comprised of He. A cylindrical rod of Be was contacted with the salt for periods of time ranging from 600 to 3600 s, resulting in mole fractions in the salt ranging from 4.3 x 10(-5) to 2.6 x 10(-4). Initially, high HF conversion levels in excess of 90% were observed. As HF reacted with the Be, the conversion levels slowly dropped over a period of several hours to a few days. A simple kinetic model, which is first order in both HF and Be concentration has been coupled with a non-mixed reactor model to yield a good fit to the data. Application of this model indicates that Be should be suitable for keeping the TF concentration in the salt below 0.02 ppb. (c) 2006 Published by Elsevier B.V. C1 Idaho Natl Lab, Idaho Falls, ID 83403 USA. Toyama Univ, Hydrogen Isotope Res Ctr, Toyama, Japan. Univ Tokyo, Tokyo, Japan. Kyushu Univ, Dept Appl Quantum Phys & Nucl Engn, Fukuoka 812, Japan. Univ Calif San Diego, San Diego, CA USA. RP Simpson, MF (reprint author), Idaho Natl Lab, POB 2528, Idaho Falls, ID 83403 USA. EM simpmf@inl.energy.gov NR 8 TC 9 Z9 9 U1 1 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 541 EP 547 DI 10.1016/j.fusengdes.2005.08.031 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500075 ER PT J AU Hara, M Hatano, Y Simpson, MF Smolik, GR Sharp, JP Oya, Y Okuno, K Nishikawa, M Terai, T Tanaka, S Anderl, RA Petti, DA Sze, DK AF Hara, M Hatano, Y Simpson, MF Smolik, GR Sharp, JP Oya, Y Okuno, K Nishikawa, M Terai, T Tanaka, S Anderl, RA Petti, DA Sze, DK TI Interactions between molten flibe and metallic Be SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE 2LiF-BeF2; Be dissolution; fluorine potential; reductant; JUPITER-II ID AUGER-ELECTRON SPECTRUM; BERYLLIUM; BEHAVIOR; SALT; SPECTROSCOPY; BREEDER AB To understand the interactions between molten Flibe and Be, a metallic Be rod was immersed in molten Flibe at 803 K under He atmosphere for 210h. The Be rod was significantly eroded during immersion in molten Flibe, and the Flibe changed from a clear crystal to a brownish-gray marble-like appearance. The concentration of Be-0 in Flibe was evaluated by dissolving salt samples in acid solutions. This dissolution test is based on the reaction of Be-0 with proton ions in the acid solutions to generate H-2. Hydrogen gas was generated from Flibe contacted with Be under flowing He. The amounts of gas generated corresponded to mole fractions of [Be-0]/[Flibe] ranging from 9.9 x 10(-4) to 7.6 x 10(-3). On the other hand, no H-2 was generated from Flibe that was not exposed to Be or which was exposed to Be and then given significant H-2-HF-He bubbling. These observations showed that Be does, indeed, dissolve in Flibe as Beo. The fact that no Be-0 was detected after bubbling H-2-HF-He into the salt indicates that Be-0 is an effective redox agent for reacting HF. (c) 2005 Elsevier B.V. All rights reserved. C1 Toyama Univ, Hydrogen Isotope Res Ctr, Toyama, Japan. Argonne Natl Lab W, Idaho Falls, ID 83403 USA. INEEL, Idaho Falls, ID 83415 USA. Univ Tokyo, Bunkyo Ku, Tokyo 1138656, Japan. Shizuoka Univ, Shizuoka 4228529, Japan. Kyushu Univ, Higashi Ku, Fukuoka 8128581, Japan. Univ Calif San Diego, La Jolla, CA 92093 USA. RP Hara, M (reprint author), Toyama Univ, Hydrogen Isotope Res Ctr, Gofuku 3190, Toyama, Japan. EM hara@hrc.toyama-u.ac.jp NR 19 TC 10 Z9 10 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 561 EP 566 DI 10.1016/j.fusengdes.2005.06.372 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500078 ER PT J AU Ying, A Abdou, M Calderoni, P Sharafat, S Youssef, M An, Z Abou-Sena, A Kim, E Reyes, S Willms, S Kurtz, R AF Ying, A Abdou, M Calderoni, P Sharafat, S Youssef, M An, Z Abou-Sena, A Kim, E Reyes, S Willms, S Kurtz, R TI Solid breeder test blanket module design and analysis SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE solid breeder blankets; TBM; ITER AB This paper presents the design and analysis for the US ITER solid breeder blanket test articles. Objectives of solid breeder blanket testing during the first phase of the ITER operation focus on exploration of fusion break-in phenomena and configuration scoping. Specific emphasis is placed on first wall structural response, evaluation of neutronic parameters, assessment of thermomechanical behavior and characterization of tritium release. The tests will be conducted with three unit cell arrays/sub-modules. The development approach includes: (1) design the unit celUsub-module for low temperature operations and (2) refer to a reactor blanket design and use engineering scaling to reproduce key parameters under ITER wall loading conditions, so that phenomena under investigation can be measured at a reactor-like level. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Los Angeles, Los Angeles, CA 90095 USA. LANL, Livermore, CA USA. LANL, Los Alamos, NM USA. PNNL, Richland, WA USA. RP Ying, A (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM ying@fusion.ucla.edu OI Calderoni, Pattrick/0000-0002-2316-6404 NR 9 TC 11 Z9 12 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 1-7 BP 659 EP 664 DI 10.1016/j.fusengdes.2005.06.378 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 016CY UT WOS:000235599500094 ER PT J AU Pint, BA Moser, JL Tortorelli, R AF Pint, BA Moser, JL Tortorelli, R TI Liquid metal compatibility issues for test blanket modules SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE compatibility; liquid metals; magnetohydrodynamic effect; coatings ID ELECTRICALLY INSULATING COATINGS; TRITIUM PERMEATION BARRIERS; IRON-ALUMINIDE COATINGS; STRUCTURAL-MATERIALS; VANADIUM ALLOYS; CORROSION BEHAVIOR; LITHIUM BLANKET; FUSION-REACTORS; COOLED BLANKETS; RECENT PROGRESS AB Liquid metal compatibility issues are being investigated for two different test blanket modules involving either Li or Pb-17 at .%Li. A solution to the magnetohydrodynamic (MHD) problem for the V-Li concept may be attainable using multilayer coatings or a flow channel insert with vanadium in contact with the flowing Li instead of a ceramic insulating layer. These strategies rely on the expected excellent compatibility of vanadium alloys which is being further investigated. For systems using Pb-17Li, capsule testing of SiC and various alloys is being conducted. Monolithic SiC specimens exposed for 1000h in Pb-Li at 800 and 1100 degrees C showed no mass change after cleaning and no detectable increase in the Si content of the Pb-Li after the test. In order to investigate the behavior of corrosion resistant aluminide coatings, initial capsule testing at 700 degrees C has been used to establish baseline dissolution rates for 316 stainless steel, FeCrAl, Fe3Al and NiAl. The samples containing Al showed significantly less mass loss than 316 stainless steel, suggesting that aluminide coatings will be beneficial in this temperature range. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, 1 Bethel Valley Rd,POB 2008,MS 6156, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 NR 49 TC 27 Z9 32 U1 0 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 901 EP 908 DI 10.1016/j.fusengdes.2005.07.010 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300006 ER PT J AU Katoh, Y Nozawa, T Snead, LL Hinoki, T Kohyama, A AF Katoh, Y Nozawa, T Snead, LL Hinoki, T Kohyama, A TI Property tailorability for advanced CVI silicon carbide composites for fusion SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE blanket material; SiC/SiC composite; thermal conductivity; electrical conductivity; mechanical property; thermal stress ID MECHANICAL-PROPERTIES; THERMAL-CONDUCTIVITY; SIC/SIC COMPOSITES; MATRIX COMPOSITES; SICF/SIC COMPOSITES; IRRADIATION; TEMPERATURE; REACTORS; FIBERS AB Chemically vapor infiltrated (CVI) silicon carbide (SiQ matrix composites with uni-directional and various two- and three-dimensional reinforcements by the near-stoichiometric SiC fibers or SiC/graphite hybrid fabrics were produced and evaluated for tensile, thermal and electrical properties. The parallel-serial approach models of these properties reasonably explained the experimental results. The experimental data and the model-based analysis suggested that, for the composite systems studied: (1) the strength properties are determined primarily by the volume fraction of longitudinal fibers, approximately following the theory that assumes the global load sharing; (2) presence of the axial fiber tows is the key factor in providing high thermal conductivity; (3) the maximum and minimum post-irradiation through-thickness conductivity of 10-15 W/m K at 800-1000 degrees C for 3D architecture and < 5 W/m K at < 800 degrees C for 2D architecture, respectively, and (4) the orthogonal 3D configurations of x:y:z = 1:1:0.2 to 1:1:0.5 will provide the highest post-irradiation resistance to thermal stress due to a through-thickness heat flow. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan. RP Katoh, Y (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM katohy@ornl.gov OI Katoh, Yutai/0000-0001-9494-5862 NR 18 TC 32 Z9 34 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 937 EP 944 DI 10.1016/j.fusengdes.2005.08.045 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300011 ER PT J AU Sharpe, JP Humrickhouse, PW AF Sharpe, JP Humrickhouse, PW TI Dust mobilization studies in the TDMX facility SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE tokamak dust; mobilization; aerosols; fusion source term; fusion safety ID FUSION; FLOWS AB The Toroidal Dust Mobilization eXperiment (TDMX) system is designed to experimentally simulate flow features and dust mobilization mechanisms in tokamak fusion reactor loss of vacuum accidents. A transparent toroidal chamber with several flow and aerosol mass diagnostics comprises the experiment system. Scoping tests have demonstrated the ability to generate conditions resulting in dust re-suspension and deposition in a toroidal geometry and explore effective methods of monitoring the distribution of re-deposited dust. This paper introduces TDMX by providing a description of the TDMX preliminary design, a summary of results from initial scoping tests, and a discussion of experiment improvements and future directions of the research. (c) 2005 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. Univ Wisconsin, Dept Nucl Engn & Engn Phys, Madison, WI 53706 USA. RP Sharpe, JP (reprint author), Idaho Natl Lab, Fus Safety Program, 2525 Fremont Ave, Idaho Falls, ID 83415 USA. EM Phil.Sharpe@inl.gov NR 8 TC 9 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 1409 EP 1415 DI 10.1016/j.fusengdes.2005.08.081 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300079 ER PT J AU Petti, DA Smolik, GR Simpson, MF Sharpe, JP Anderl, RA Fukada, S Hatano, Y Hara, M Oya, Y Terai, T Sze, DK Tanaka, S AF Petti, DA Smolik, GR Simpson, MF Sharpe, JP Anderl, RA Fukada, S Hatano, Y Hara, M Oya, Y Terai, T Sze, DK Tanaka, S TI JUPITER-II molten salt Flibe research: An update on tritium, mobilization and redox chemistry experiments SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE JUPITER-II; Flibe; molten salt ID NEUTRON-IRRADIATION; LI2BEF4 SALT; FLUORIDE; RELEASE; SOLUBILITIES; DEUTERIUM; RECOVERY; HYDROGEN; BEHAVIOR AB The second Japan/US Program on Irradiation Tests for Fusion Research (JUPITER-II) began on April 1, 2001. Part of the collaborative research centers on studies of the molten salt 2LiF(2)-BeF2, (also known as Flibe) for fusion applications. Flibe has been proposed as a self-cooled breeder in both magnetic and inertial fusion power plant designs over the last 25 years. The key feasibility issues associated with the use of Flibe are the corrosion of structural material by the molten salt, tritium behavior and control in the molten salt blanket system, and safe handling practices and releases from Flibe during an accidental spill. These issues are all being addressed under the JUPITER-II program at the Idaho National Laboratory in the Safety and Tritium Applied Research (STAR) facility. In this paper, we review the program to date in the area of tritiun/deuterium behavior, Flibe mobilization under accident conditions and testing of Be as a redox agent to control corrosion. Future activities planned through the end of the collaboration are also presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID 83415 USA. Kyushu Univ, Higashi Ku, Fukuoka 8128581, Japan. Toyama Univ, Hydrogen Isotope Res Ctr, Toyama 9308555, Japan. Univ Tokyo, Bunkyo Ku, Tokyo 1138656, Japan. Univ Calif San Diego, La Jolla, CA 92093 USA. RP Petti, DA (reprint author), Idaho Natl Lab, Fus Safety Program, POB 1625, Idaho Falls, ID 83415 USA. EM pti@inel.gov NR 28 TC 21 Z9 21 U1 1 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 1439 EP 1449 DI 10.1016/j.fusengdes.2005.08.101 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300083 ER PT J AU Cabellos, O Reyes, S Sanz, J Rodriguez, A Youssef, M Sawan, M AF Cabellos, O Reyes, S Sanz, J Rodriguez, A Youssef, M Sawan, M TI Effect of activation cross-section uncertainties on the radiological assessment of the MFE/DEMO first wall SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE DEMO; activation cross-section; uncertainty analysis ID OPTIONS AB A Monte Carlo procedure has been applied in this work in order to address the impact of activation cross-sections (XS) uncertainties on contact dose rate and decay heat calculations for the outboard first wall (FW) of a magnetic fusion energy (MFE) demonstration (DEMO) reactor. The XSs inducing the major uncertainty in the prediction of activation related quantities have been identified. Results have shown that for times corresponding to maintenance activities the uncertainties effect is insignificant since the dominant XSs involved in these calculations are based on accurate experimental data evaluations. However, for times corresponding to waste management/recycling activities, the errors induced by the XSs uncertainties, which in this case are evaluated using systematic models, must be considered. It has been found that two particular isotopes, Co-60 and Nb-94, are key contributors to the global DEMO FW activation uncertainty results. In these cases, the benefit from further improvements in the accuracy of the critical reaction XSs is discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Politecn Madrid, Inst Fus Nucl, Madrid, Spain. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Nacl Educ Distancia, Dept Ingn Energet, E-28040 Madrid, Spain. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Cabellos, O (reprint author), Univ Politecn Madrid, Inst Fus Nucl, Madrid, Spain. EM cabellos@din.upm.es NR 12 TC 2 Z9 2 U1 2 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 1561 EP 1565 DI 10.1016/j.fusengdes.2005.07.033 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300101 ER PT J AU Raffray, AR Blanchard, J Latkowski, J Najmabadi, F Renk, I Sethian, J Sharafat, S Snead, L AF Raffray, AR Blanchard, J Latkowski, J Najmabadi, F Renk, I Sethian, J Sharafat, S Snead, L TI Progress towards realization of a laser IFE solid wall chamber SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE inertial fusion energy; tungsten armor; armor thenno-mechanical response; ion implantation; He retention ID DRY-WALL; POWER-PLANT; 1ST-WALL; FUSION; TUNGSTEN; WINDOWS; HELIUM; DESIGN; ARMOR AB The high average power laser (HAPL) program aims at developing laser inertial fusion energy (Laser IFE) based on lasers, direct drive targets and a solid wall chamber. The preferred first wall configuration is based on tungsten and ferritic steel as armor and structural materials, respectively. A key concern is the survival of the first wall under the X-ray and ion energy deposition from the fusion micro-explosion. The HAPL design and R&D effort in the chamber and material area is focused toward understanding and resolving the key armor survival issues. This includes modeling and experimental testing of the armor thermo-mechanical behavior in facilities utilizing ion, X-rays and laser sources to simulate IFE conditions. Helium management is addressed by conducting implantation experiments along with modeling of He behavior in tungsten. This paper summarizes the HAPL chamber activities. The first wall/armor configuration and design analysis are described, key chamber issues are discussed, and the R&D to address them is highlighted. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif San Diego, Mech & Aerosp Dept, La Jolla, CA 90093 USA. Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif San Diego, Energy Res Ctr, Dept Elect & Comp Engn, La Jolla, CA 92030 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. USN, Res Lab, Washington, DC 20375 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Raffray, AR (reprint author), Univ Calif San Diego, Mech & Aerosp Dept, 458 EBU II,9500 Gilman Dr, La Jolla, CA 90093 USA. EM raffray@fusion.ucsd.edu NR 16 TC 14 Z9 14 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 1627 EP 1638 DI 10.1016/j.fusengdes.2005.07.041 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300110 ER PT J AU Meier, WR Schmitt, RC Abbott, RP Latkowski, JF Reyes, S AF Meier, WR Schmitt, RC Abbott, RP Latkowski, JF Reyes, S TI Nuclear design considerations for Z-IFE chambers SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 7th International Symposium on Fusion Nuclear Technology CY MAY 22-27, 2005 CL Natl Museum Emerging Sci & Innovat, Tokyo, JAPAN SP JAERI, Atom Energy Soc Japan, Japanese Soc Plasma Sci & Nucl Fus Res, Natl Inst Fus Sci HO Natl Museum Emerging Sci & Innovat DE IFE; Z-pinch; fusion chamber; neutronics AB Z-pinch driven IFE (Z-IFE) requires the design of a repetitive target insertion system that allows coupling of the pulsed power to the target with adequate standoff, and a chamber that can withstand blast and radiation effects from large yield targets. The present strategy for Z-IFE is to use high yield targets (similar to 2-3 GJ/shot), low repetition rate per chamber (similar to 0.1 Hz), and 10 chambers per power plant. In this study, we propose an alternative power plant configuration that uses very high yield targets (20 GJ/shot) in a single chamber operating at 0.1 Hz. A thick-liquid-wall chamber is proposed to absorb the target emission (X-rays, debris and neutrons) and mitigate the blast effects on the chamber wall. The target is attached to the end of a conical shaped recyclable transmission line (RTL) made from a solid coolant (e.g., frozen flibe), or a material that is easily separable from the coolant (e.g.., steel). The RTL/target assembly is inserted through a single opening at the top of the chamber for each shot. This stud looks at the RTL material choice from a safety and environmental point of view. Materials were assessed according to waste disposal rating (WDR) and contact dose rate (CDR). Neutronics calculations, using the TART2002 Monte Carlo code from Lawrence Livermore National Laboratory (LLNL), were performed for the RTL and Z-IFE chamber, and key results reported here. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Bettis Atom Power Lab, Pittsburgh, PA 15203 USA. RP Meier, WR (reprint author), Lawrence Livermore Natl Lab, POB 808,L-641, Livermore, CA 94551 USA. EM meier5@llnl.gov NR 9 TC 3 Z9 3 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD FEB PY 2006 VL 81 IS 8-14 BP 1661 EP 1666 DI 10.1016/j.fusengdes.2005.08.092 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 017FK UT WOS:000235679300114 ER PT J AU Ongena, JPHE Evrard, M McCune, D AF Ongena, JPHE Evrard, M McCune, D TI Numerical transport codes SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 7th Carolus Magnus Summer School on Plasma and Fusion Energy Physics CY SEP 05-16, 2005 CL Mechelen, NETHERLANDS SP Trilateral Euregio Cluster TEC, EURATOM Assoc, FOM-Inst Plasma Phys Rijnhuizen, Assoc EURATOM-FOM, Inst Plasmaphys, Assoc EURATOM-FZJ, Forsch Zentrum Julich GmbH, Lab Plasma Phys, Assoc EURATOM -Belgian State, Royal Military Acad ID ION THERMAL-CONDUCTIVITY; TOKAMAK PLASMA; CONFINEMENT AB This paper gives a brief introduction on numerical transport codes. The relevant equations which are used in these codes are established, and on the basis of these equations, the necessary calculations needed to resolve them are pointed out. Finally, some examples are given, illustrating their application. C1 Ecole Royale Mil, Associate EURATOM,Belg Staat Assoc EURATOM Etat B, Koninklijke Mil Sch,Lab Plasmafys, Lab Phys Plasmas, B-1000 Brussels, Belgium. Trilateral Euregio Cluster, Nieuwegein, Netherlands. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ongena, JPHE (reprint author), Ecole Royale Mil, Associate EURATOM,Belg Staat Assoc EURATOM Etat B, Koninklijke Mil Sch,Lab Plasmafys, Lab Phys Plasmas, B-1000 Brussels, Belgium. NR 21 TC 1 Z9 1 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD FEB PY 2006 VL 49 IS 2T BP 337 EP 345 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 033OS UT WOS:000236859000037 ER PT J AU Hoisie, A Mendes, C Reed, D Snavely, A AF Hoisie, A Mendes, C Reed, D Snavely, A TI Special section: Large-scale system performance modeling and analysis SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Univ Illinois, Urbana, IL 61801 USA. Univ N Carolina, Chapel Hill, NC USA. San Diego Supercomp Ctr, San Diego, CA USA. RP Hoisie, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM hoisie@lanl.gov; cmendes@cs.uiuc.edu; dan_reed@unc.edu; allans@sdsc.edu NR 0 TC 2 Z9 2 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD FEB PY 2006 VL 22 IS 3 BP 291 EP 292 DI 10.1016/j.future.2004.11.014 PG 2 WC Computer Science, Theory & Methods SC Computer Science GA 000WU UT WOS:000234493900005 ER PT J AU Daly, JT AF Daly, JT TI A higher order estimate of the optimum checkpoint interval for restart dumps SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Article; Proceedings Paper CT International Conference on Computational Science (ICCS 2003) CY JUN 02-04, 2003 CL MELBOURNE, AUSTRALIA SP Univ Amsterdam, Hewlett Packard, Springer Verlag, Netherlands Inst St Petersburg, Russian Federat, Minist Ind, Sci & Technol, Govt St Petersburg, Comm Sci & High Educ, St Petersburg State Tech Univ, Inst High Performance Comp & Informat Syst, IBM Australia, Microsoft, Cray Inc, Dolphin Interconnect, Microway, Etnus, ceanet, NAG, Pallas GmbH DE optimal checkpointing; Poisson failures; perturbation series; Lambert function AB This paper examines methods of approximating the optimum checkpoint restart strategy for minimizing application run time oil a system exhibiting Poisson single component failures. Two different models will be developed and compared. We will begin with a simplified cost function that yields a first-order model. Then we will derive a more complete cost function and demonstrate a perturbation solution that provides accurate high order approximations to the optimum checkpoint interval, (c) 2004 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Daly, JT (reprint author), Los Alamos Natl Lab, M-S T080, Los Alamos, NM 87545 USA. EM jtd@lanl.gov NR 7 TC 103 Z9 107 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD FEB PY 2006 VL 22 IS 3 BP 303 EP 312 DI 10.1016/j.future.2004.11.016 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA 000WU UT WOS:000234493900007 ER PT J AU Mathis, MM Kerbyson, DJ Hoisie, A AF Mathis, MM Kerbyson, DJ Hoisie, A TI A performance model of non-deterministic particle transport on large-scale systems SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Article; Proceedings Paper CT International Conference on Computational Science (ICCS 2003) CY JUN 02-04, 2003 CL MELBOURNE, AUSTRALIA SP Univ Amsterdam, Hewlett Packard, Springer Verlag, Netherlands Inst St Petersburg, Russian Federat, Minist Ind, Sci & Technol, Govt St Petersburg, Comm Sci & High Educ, St Petersburg State Tech Univ, Inst High Performance Comp & Informat Syst, IBM Australia, Microsoft, Cray Inc, Dolphin Interconnect, Microway, Etnus, ceanet, NAG, Pallas GmbH DE performance modeling; performance analysis; large-scale systems AB In this work we present a predictive analytical model that encompasses the performance and scaling characteristics of a nondeterministic particle transport application, MCNP (Monte Carlo N-Particle), that represents part of the Advanced Simulation and Computing (ASC) workload. MCNP can be used for the simulation of neutron, photon, electron, or coupled transport, and has found uses in many problem areas including nuclear reactors, radiation shielding, and medical physics. Monte Carlo methods in general and MCNP specifically do not solve an explicit equation, but rather obtain answers by simulating the interactions between individual particles and it predefined geometry. This is in contrast to deterministic transport methods, the most common of which is the discrete ordinates method, that solve the transport equation directly for the average particle behavior. Previous studies on the scalability of parallel Monte Carlo calculations have been rather general in nature. The performance model developed here is both detailed and parametric with both application characteristics (e.g. problem size), and system characteristics (e.g. communication latency, bandwidth, achieved processing rate) serving as input. The model is validated against measurements on an AlphaServer ES40 system showing high accuracy across many processor/problem combinations. The model is then used to provide insight into the achievable performance that should be possible on systems containing thousands of processors and to quantify the impact that possible improvements in sub-system performance may have. In addition, the impact on performance of modifying the communication structure of the code is also quantified. (c) 2004 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, PAL, Los Alamos, NM 87545 USA. Texas A&M Univ, Dept Comp Sci, College Stn, TX 77843 USA. RP Kerbyson, DJ (reprint author), Los Alamos Natl Lab, PAL, CCS-3,POB 1663, Los Alamos, NM 87545 USA. EM djk@lanl.gov NR 23 TC 3 Z9 3 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD FEB PY 2006 VL 22 IS 3 BP 324 EP 335 DI 10.1016/j.future.2004.11.018 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA 000WU UT WOS:000234493900009 ER PT J AU Spooner, DP Kerbyson, DJ AF Spooner, DP Kerbyson, DJ TI Performance feature identification by comparative trace analysis SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Article; Proceedings Paper CT International Conference on Computational Science (ICCS 2003) CY JUN 02-04, 2003 CL MELBOURNE, AUSTRALIA SP Univ Amsterdam, Hewlett Packard, Springer Verlag, Netherlands Inst St Petersburg, Russian Federat, Minist Ind, Sci & Technol, Govt St Petersburg, Comm Sci & High Educ, St Petersburg State Tech Univ, Inst High Performance Comp & Informat Syst, IBM Australia, Microsoft, Cray Inc, Dolphin Interconnect, Microway, Etnus, ceanet, NAG, Pallas GmbH DE performance modeling; high performance systems; dynamic trace analysis; performance visualization ID PREDICTION; PARALLEL AB This work introduces a method for instrumenting applications. producing execution traces. and visualizing multiple trace instances to identify performance features. The approach provides information on the execution behavior of each process within a parallel application and allows differences across processes to be readily identified. Traces events are directly related to the source code and call-chain that produced them. This allows the identification of the causes of events to be easily obtained. The approach is particularly suited to aid in the Understanding of the achieved performance from an application centric viewpoint. In particular, it can be used to assist in the formation of analytical performance models which can be a time-consuming task for large complex applications. The approach is one of human-effort reduction: focus the interest of the performance specialist on performance critical code regions rather than automating the performance model formulation process completely. A supporting implementation analyses trace files front different runs of an application to determine the relative performance characteristics for critical regions of code and communication functions. (c) 2004 Elsevier B.V. All rights reserved. C1 Univ Warwick, Dept Comp Sci, High Performance Syst Grp, Coventry CV4 7AL, W Midlands, England. Los Alamos Natl Lab, PAL, Los Alamos, NM 87545 USA. RP Spooner, DP (reprint author), Univ Warwick, Dept Comp Sci, High Performance Syst Grp, Coventry CV4 7AL, W Midlands, England. EM dps@dcs.warwick.ac.uk NR 15 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD FEB PY 2006 VL 22 IS 3 BP 369 EP 380 DI 10.1016/j.future.2004.11.022 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA 000WU UT WOS:000234493900013 ER PT J AU Shoguchi, E Kawashima, T Satou, Y Hamaguchi, M Sin-I, T Kohara, Y Putnam, N Rokhsar, DS Satoh, N AF Shoguchi, E Kawashima, T Satou, Y Hamaguchi, M Sin-I, T Kohara, Y Putnam, N Rokhsar, DS Satoh, N TI Chromosomal mapping of 170 BAC clones in the ascidian Gona intestinalis SO GENOME RESEARCH LA English DT Article ID CIONA-INTESTINALIS; CHORDATE; DETERMINANTS; EVOLUTION; INSIGHTS; EMBRYOS; GENOME; GENE; CELL AB The draft genome (similar to 160 Mb) of the urochordate ascidian Ciona intestinalis has been sequenced by the whole-genome shotgun method and should provide important insights into the origin and evolution of chordates as well as vertebrates. However, because this genomic data has not yet been mapped onto chromosomes, important biological questions including regulation of gene expression at the genome-wide level cannot yet be addressed. Here, we report the Molecular cytogenetic characterization of all 14 pairs of C. intestinalis chromosomes, as well as initial large-scale mapping of genomic sequences onto chromosomes by fluorescent in situ hybridization (FISH). Two-color FISH using 170 bacterial artificial chromosome (BAC) clones and construction of joined scaffolds using paired BAC end sequences allowed for mapping of up to 65% of the deduced 117-Mb nonrepetitive sequence onto chromosomes. This map lays the foundation for future Studies of the protochordate C. intestinalis genome at the chromosomal level. C1 Kyoto Univ, Grad Sch Sci, Dept Zool, Sakyo Ku, Kyoto 6068502, Japan. Japan Sci & Technol Agcy, CREST, Kawaguchi, Saitama 3320012, Japan. Natl Inst Genet, Shizuoka 4118540, Japan. US Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Dept Cell & Mol Biol, Ctr Integrat Genom, Berkeley, CA 94720 USA. RP Shoguchi, E (reprint author), Kyoto Univ, Grad Sch Sci, Dept Zool, Sakyo Ku, Kyoto 6068502, Japan. EM eiichi@ascidian.zool.kyoto-u.ac.jp RI Putnam, Nicholas/B-9968-2008; Satoh, Nori/C-4123-2009; Kawashima, Takeshi/M-4510-2015; Satou, Yutaka/K-7131-2012 OI Putnam, Nicholas/0000-0002-1315-782X; Satou, Yutaka/0000-0001-5193-0708 NR 19 TC 35 Z9 38 U1 0 U2 0 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD FEB PY 2006 VL 16 IS 2 BP 297 EP 303 DI 10.1101/gr.4156606 PG 7 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 009OP UT WOS:000235122000018 PM 16354750 ER PT J AU Arvidson, RS Collier, M Davis, KJ Vinson, MD Amonette, JE Luttge, A AF Arvidson, RS Collier, M Davis, KJ Vinson, MD Amonette, JE Luttge, A TI Magnesium inhibition of calcite dissolution kinetics SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID ATOMIC-FORCE MICROSCOPY; ACIDIC AQUEOUS-SOLUTION; SEA-WATER; SURFACE SPECIATION; SOLUTION INTERFACE; SATURATION STATE; CRYSTAL-GROWTH; CARBONATE; RATES; MODEL AB We present evidence of inhibition of calcite dissolution by dissolved magnesium through direct observations of the (104) surface using atomic force microscopy (AFM) and vertical scanning interferometry (VSI). Far from equilibrium, the pattern of magnesium inhibition is dependent on solution composition and specific to surface step geometry. In CO2-free solutions (pH 8.8), dissolved magnesium brings about little inhibition even at concentrations of 0.8 X 10(-3) molal. At the same pH, magnesium concentrations of less than 0.05 x 10(-3) molal in carbonate-buffered solutions generate significant inhibition, although no changes in surface and etch pit morphology are observed. As concentrations exceed magnesite saturation, the dissolution rate shows little additional decrease; however, selective pinning of step edges results in unique etch pit profiles, seen in both AFM and VSI datasets. Despite the decreases in step velocity, magnesium addition in carbonated solutions also appears to activate the surface by increasing the nucleation rate of new defects. These relationships suggest that the modest depression of the bulk rate measured by VSI reflects a balance between competing reaction mechanisms that simultaneously depress the rate through selective inhibition of step movement, but also enhance reactivity on terraces by lowering the energy barrier to new etch pit formation. (c) 2005 Elsevier Inc. All rights reserved. C1 Rice Univ, Dept Earth Sci, Houston, TX 77251 USA. Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Rice Univ, Dept Chem, Ctr Biol & Environm Nanotechnol, Houston, TX 77251 USA. RP Arvidson, RS (reprint author), Rice Univ, Dept Earth Sci, MS-126,POB 1892, Houston, TX 77251 USA. EM rsa4046@ruf.rice.edu RI Luttge, Andreas/A-2560-2011; OI Luttge, Andreas/0000-0002-5878-4026; Arvidson, Rolf/0000-0002-8997-1262 NR 45 TC 54 Z9 55 U1 3 U2 48 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD FEB 1 PY 2006 VL 70 IS 3 BP 583 EP 594 DI 10.1016/j.gca.2005.10.005 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 011KB UT WOS:000235265900004 ER PT J AU Lippmann, MJ Dickson, MH AF Lippmann, MJ Dickson, MH TI Under the Auspices of the Geothermal Resources Council and the International Geothermal Association SO GEOTHERMICS LA English DT Editorial Material C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. CNR, Inst Geosci & Georisorse, Pisa, Italy. RP Lippmann, MJ (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM mjlippmann@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0375-6505 J9 GEOTHERMICS JI Geothermics PD FEB PY 2006 VL 35 IS 1 BP 1 EP 2 DI 10.1016/j.geothermics.2005.12.002 PG 2 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA 023YC UT WOS:000236161100001 ER PT J AU Kennedy, BM van Soest, MC AF Kennedy, BM van Soest, MC TI A helium isotope perspective on the Dixie Valley, Nevada, hydrothermal system SO GEOTHERMICS LA English DT Article DE helium isotopes; noble gases; magmatic; permeability; geothermal; Dixie Valley; basin and range ID WESTERN UNITED-STATES; RANGE PROVINCE; NOBLE-GASES; GEOTHERMAL-FIELD; BASIN; CALIFORNIA; ORIGIN; MANTLE; TRANSPORT; RESERVOIR AB Fluids from springs, fumaroles, and wells throughout Dixie Valley, NV were analyzed for noble gas abundances and isotopic compositions. The helium isotopic compositions of fluids produced from the Dixie Valley geothermal field range from 0.70 to 0.76 Ra, are among the highest values in the valley, and indicate that similar to 7.5% of the total helium is derived from the mantle. A lack of recent volcanics or other potential sources requires flow of mantle-derived helium up along the valley bounding Stillwater Range Front Fault, from which the geothermal fluids are produced. Using a one-dimensional flow model, a lower limit fluid flow rate up through the fault of 7 mm/yr is estimated, corresponding to a mantle He-3 flux of similar to 104 atoms m(-2) s(-1). A comparison between the fluids from Dixie Valley springs, fumaroles, and wells and the fluids produced from the geothermal field reveals a mixing trend between the geothermal fluid and younger, cooler ground-waters. The exceptions are those features that either emanate directly from the Stillwater fault or wells that penetrate and extract fluids from the fault zone, all of which have helium isotopic compositions that are indistinguishable from the geothermal production fluids. The results of our study indicate that the Stillwater Range Front Fault system must act as a permeable conduit that can sustain high vertical fluid flow rates from deep within the crust and crust-mantle boundary and that high permeability may exist along most of its length. This suggests that the geothermal potential of the Stillwater fault may be significantly greater than the 6-8 km long system presently under production. Since all the numerous springs, wells, and fumaroles in the valley also contain a fluid component that is indistinguishable from the geothermal/Stillwater fault fluid, the potential for an additional deeper and more pervasive geothermal system also exists and should be further evaluated. Furthermore, we suggest that elevated helium isotope compositions in regions with little or no recent magmatism are an indicator of the deep crustal permeability that is required to drive and sustain extensional geothermal systems. (c) 2005 CNR. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Lab, Ctr Isotope Geochem, Div Earth Sci, Berkeley, CA 94720 USA. RP Kennedy, BM (reprint author), Lawrence Berkeley Lab, Ctr Isotope Geochem, Div Earth Sci, MS 70A-4418, Berkeley, CA 94720 USA. EM bmkennedy@lbl.gov NR 39 TC 34 Z9 38 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0375-6505 J9 GEOTHERMICS JI Geothermics PD FEB PY 2006 VL 35 IS 1 BP 26 EP 43 DI 10.1016/j.geothermics.2005.09.004 PG 18 WC Energy & Fuels; Geosciences, Multidisciplinary SC Energy & Fuels; Geology GA 023YC UT WOS:000236161100003 ER PT J AU Lam, PJ Bishop, JKB Henning, CC Marcus, MA Waychunas, GA Fung, IY AF Lam, PJ Bishop, JKB Henning, CC Marcus, MA Waychunas, GA Fung, IY TI Wintertime phytoplankton bloom in the subarctic Pacific supported by continental margin iron SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article ID SOUTHERN-OCEAN; NORTHEAST PACIFIC; COLLOIDAL IRON; ENRICHMENT; ECOSYSTEM; WATERS; MODEL; FLUX; ENHANCEMENT; VARIABILITY AB [1] Heightened biological activity was observed in February 1996 in the high-nutrient low-chlorophyll (HNLC) subarctic North Pacific Ocean, a region that is thought to be iron-limited. Here we provide evidence supporting the hypothesis that Ocean Station Papa (OSP) in the subarctic Pacific received a lateral supply of particulate iron from the continental margin off the Aleutian Islands in the winter, coincident with the observed biological bloom. Synchrotron X-ray analysis was used to describe the physical form, chemistry, and depth distributions of iron in size fractionated particulate matter samples. The analysis reveals that discrete micron-sized iron-rich hot spots are ubiquitous in the upper 200 m at OSP, more than 900 km from the closest coast. The specifics of the chemistry and depth profiles of the Fe hot spots trace them to the continental margins. We thus hypothesize that iron hot spots are a marker for the delivery of iron from the continental margin. We confirm the delivery of continental margin iron to the open ocean using an ocean general circulation model with an iron-like tracer source at the continental margin. We suggest that iron from the continental margin stimulated a wintertime phytoplankton bloom, partially relieving the HNLC condition. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley Atmospher Sci Ctr, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Lam, PJ (reprint author), Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. EM pjlam@whoi.edu NR 51 TC 107 Z9 108 U1 3 U2 33 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 EI 1944-9224 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD FEB 1 PY 2006 VL 20 IS 1 AR GB1006 DI 10.1029/2005GB002557 PG 12 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA 010BC UT WOS:000235157300001 ER PT J AU Cisneros-Dozal, LM Trumbore, S Hanson, PJ AF Cisneros-Dozal, LM Trumbore, S Hanson, PJ TI Partitioning sources of soil-respired CO(2) and their seasonal variation using a unique radiocarbon tracer SO GLOBAL CHANGE BIOLOGY LA English DT Article DE (14)C; litter decomposition; radiocarbon; root respiration; soil respiration sources ID CARBON-DIOXIDE; EUROPEAN FORESTS; BEECH FOREST; RESPIRATION; EFFLUX; ROOT; TEMPERATURE; EXCHANGE; PATTERNS; RATES AB Soil respiration is derived from heterotrophic (decomposition of soil organic matter) and autotrophic (root/rhizosphere respiration) sources, but there is considerable uncertainty about what factors control variations in their relative contributions in space and time. We took advantage of a unique whole-ecosystem radiocarbon label in a temperate forest to partition soil respiration into three sources: (1) recently photosynthesized carbon (C), which dominates root and rhizosphere respiration; (2) leaf litter decomposition and (3) decomposition of root litter and soil organic matter > 1-2 years old. Heterotrophic sources and specifically leaf litter decomposition were large contributors to total soil respiration during the growing season. Relative contributions from leaf litter decomposition ranged from a low of similar to 1 +/- 3% of total soil respiration (6 +/- 3 mg C m(-2) h(-1)) when leaf litter was extremely dry, to a high of 42 +/- 16% (96 +/- 38 mg C m(-2) h(-1)). Total soil respiration fluxes varied with the strength of the leaf litter decomposition source, indicating that moisture-dependent changes in litter decomposition drive variability in total soil respiration fluxes. In the surface mineral soil layer, decomposition of C fixed in the original labeling event (3-5 years earlier) dominated the isotopic signature of heterotrophic respiration. Root/rhizosphere respiration accounted for 16 +/- 10% to 64 +/- 22% of total soil respiration, with highest relative contributions coinciding with low overall soil respiration fluxes. In contrast to leaf litter decomposition, root respiration fluxes did not exhibit marked temporal variation ranging from 34 +/- 14 to 40 +/- 16 mg C m(-2) h(-1) at different times in the growing season with a single exception (88 +/- 35 mg C m(-2) h(-1)). Radiocarbon signatures of root respired CO(2) changed markedly between early and late spring (March vs. May), suggesting a switch from stored nonstructural carbohydrate sources to more recent photosynthetic products. C1 Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Cisneros-Dozal, LM (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, 3200 Croul Hall, Irvine, CA 92697 USA. EM cisnerol@uci.edu RI Hanson, Paul J./D-8069-2011; Trumbore, Susan/B-1948-2013 OI Hanson, Paul J./0000-0001-7293-3561; NR 29 TC 57 Z9 62 U1 2 U2 31 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD FEB PY 2006 VL 12 IS 2 BP 194 EP 204 DI 10.1111/j.1365-2486.2005.001061.x PG 11 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 007MX UT WOS:000234974900005 ER PT J AU Randerson, JT Masiello, CA Still, CJ Rahn, T Poorter, H Field, CB AF Randerson, JT Masiello, CA Still, CJ Rahn, T Poorter, H Field, CB TI Is carbon within the global terrestrial biosphere becoming more oxidized? Implications for trends in atmospheric O-2 SO GLOBAL CHANGE BIOLOGY LA English DT Article DE chemical and elemental composition of organic matter; ecosystem respiration; global carbon cycle; plant allocation ID NET PRIMARY PRODUCTION; LEAF LIFE-SPAN; COST-BENEFIT-ANALYSIS; CONSTRUCTION COST; ELEMENTAL COMPOSITION; CHEMICAL-COMPOSITION; TISSUE CONSTRUCTION; LITTER QUALITY; CO2 ENRICHMENT; OXYGEN FLUXES AB Measurements of atmospheric O-2 and CO2 concentrations serve as a widely used means to partition global land and ocean carbon sinks. Interpretation of these measurements has assumed that the terrestrial biosphere contributes to changing O-2 levels by either expanding or contracting in size, and thus serving as either a carbon sink or source (and conversely as either an oxygen source or sink). Here, we show how changes in atmospheric O-2 can also occur if carbon within the terrestrial biosphere becomes more reduced or more oxidized, even with a constant carbon pool. At a global scale, we hypothesize that increasing levels of disturbance within many biomes has favored plant functional types with lower oxidative ratios and that this has caused carbon within the terrestrial biosphere to become increasingly more oxidized over a period of decades. Accounting for this mechanism in the global atmospheric O-2 budget may require a small increase in the size of the land carbon sink. In a scenario based on the Carnegie-Ames-Stanford Approach model, a cumulative decrease in the oxidative ratio of net primary production (NPP) (moles of O-2 produced per mole of CO2 fixed in NPP) by 0.01 over a period of 100 years would create an O-2 disequilibrium of 0.0017 and require an increased land carbon sink of 0.1 Pg C yr(-1) to balance global atmospheric O-2 and CO2 budgets. At present, however, it is challenging to directly measure the oxidative ratio of terrestrial ecosystem exchange and even more difficult to detect a disequilibrium caused by a changing oxidative ratio of NPP. Information on plant and soil chemical composition complement gas exchange approaches for measuring the oxidative ratio, particularly for understanding how this quantity may respond to various global change processes over annual to decadal timescales. C1 Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. Rice Univ, Dept Earth Sci, Houston, TX 77005 USA. Univ Calif Santa Barbara, Dept Geog, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Utrecht, Utrecht, Netherlands. Carnegie Inst Washington, Dept Global Ecol, Stanford, CA 94305 USA. RP Randerson, JT (reprint author), Univ Calif Irvine, Dept Earth Syst Sci, 3212 Croul Hall, Irvine, CA 92697 USA. EM jranders@uci.edu RI Masiello, Caroline/A-2653-2011; Poorter, Hendrik/B-8062-2010; Rahn, Thom/C-5211-2012; OI Masiello, Caroline/0000-0003-2102-6229; Poorter, Hendrik/0000-0001-9900-2433; Rahn, Thomas/0000-0001-8634-1348 NR 76 TC 22 Z9 22 U1 0 U2 17 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD FEB PY 2006 VL 12 IS 2 BP 260 EP 271 DI 10.1111/j.1365-2486.2006.01099.x PG 12 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 007MX UT WOS:000234974900010 ER PT J AU Sullivan, PT AF Sullivan, PT TI ALARA considerations for the whole body neutron irradiation facility source removal project at Brookhaven National Laboratory SO HEALTH PHYSICS LA English DT Article DE operational topics; plutonium; ALARA; dose rate AB This paper describes the activities that were involved with the safe removal or fourteen (PuBe)-Pu-238 sources from the Brookhaven National Laboratory (BNL) Whole Body Neutron Irradiation Facility (WBNIF). As part of a Department of Energy and BNL effort to reduce the radiological inventory, the WBNIF was identified as having no future use. In order to deactivate the facility and eliminate the need for nuclear safety management and long-term surveillance, it was decided to remove the neutron sources and dismantle the facility. In addition, the sources did not have DOT Special Form documentation so they would need to be encapsulated once removed for offsite storage or disposal. The planning and the administrative as well as engineering controls put in place enabled personnel to safely remove and encapsulate the sources while keeping exposure as low as reasonably achievable (ALARA). C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Sullivan, PT (reprint author), Brookhaven Natl Lab, POB 5000,Bldg 860, Upton, NY 11973 USA. EM sulli@bnl.gov NR 2 TC 1 Z9 1 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD FEB PY 2006 VL 90 IS 2 SU S BP S18 EP S23 DI 10.1097/01.HP.0000194202.45547.9a PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 022BI UT WOS:000236029300004 PM 16404183 ER PT J AU Teng, LC AF Teng, LC TI Advanced particle acceleration concepts SO HIGH ENERGY PHYSICS AND NUCLEAR PHYSICS-CHINESE EDITION LA English DT Article DE laser; plasma; accelerator; acceleration; particle AB A survey and critique of the many different "Advanced Particle Acceleration Concepts" is presented in this paper. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Teng, LC (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM teng@aps.anl.gov NR 0 TC 0 Z9 0 U1 0 U2 1 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 0254-3052 J9 HIGH ENERG PHYS NUC JI High Energy Phys. Nucl. Phys.-Chin. Ed. PD FEB PY 2006 VL 30 SU 1 BP 1 EP 5 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 020ZC UT WOS:000235951000001 ER PT J AU Chao, AW AF Chao, AW TI Gravitational instability of a nonrotating galaxy SO HIGH ENERGY PHYSICS AND NUCLEAR PHYSICS-CHINESE EDITION LA English DT Article DE galaxy; gravitational instability; Vlasov eguation; Landau damping AB Gravitational instability of the distribution of stars in a galaxy is a well-known phenomenon in astrophysics. This work is a preliminary attempt to analyze this phenomenon using the standard tools developed in accelerator physics. By applying this analysis, it is found that a stable nonrotating galaxy would become unstable if its size exceeds a certain limit that depends on its mass density. C1 Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Chao, AW (reprint author), Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. EM achao@slac.stanford.edu NR 6 TC 1 Z9 1 U1 0 U2 0 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 0254-3052 J9 HIGH ENERG PHYS NUC JI High Energy Phys. Nucl. Phys.-Chin. Ed. PD FEB PY 2006 VL 30 SU 1 BP 6 EP 10 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 020ZC UT WOS:000235951000002 ER PT J AU Wang, JW AF Wang, JW TI R&D of accelerator structures at SLAC SO HIGH ENERGY PHYSICS AND NUCLEAR PHYSICS-CHINESE EDITION LA English DT Article DE linear collider; normal conductivity; superconductivity; wakefield; damping; detuning AB The research activities for accelerator structures at SLAC are reviewed including the achievement via the main linac design for the Next Linear Collider (NLC), the program adjustment after the decision of the International Linear Collider (ILC) to be based on superconducting technology, and the work progress for the ILC, photon science at SLAC and basic accelerator structure studies. C1 SLAC, Menlo Pk, CA 94025 USA. RP Wang, JW (reprint author), SLAC, Menlo Pk, CA 94025 USA. EM jywap@slac.stanford.edu NR 6 TC 5 Z9 4 U1 0 U2 1 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 0254-3052 J9 HIGH ENERG PHYS NUC JI High Energy Phys. Nucl. Phys.-Chin. Ed. PD FEB PY 2006 VL 30 SU 1 BP 11 EP 15 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 020ZC UT WOS:000235951000003 ER PT J AU Darvas, F Ermer, JJ Mosher, JC Leahy, RM AF Darvas, F Ermer, JJ Mosher, JC Leahy, RM TI Generic head models for atlas-based EEG source analysis SO HUMAN BRAIN MAPPING LA English DT Article DE atlas; EEG; Montreal brain phantom; radial basis function; source localization; warping ID SOURCE LOCALIZATION; IMAGE REGISTRATION; INVERSE PROBLEM; ELEMENT METHOD; HUMAN BRAIN; MEG; RECONSTRUCTION; PHANTOM; SYSTEM AB We describe a method for using a generic head model, in the form of an anatomical atlas, to produce EEG source localizations. The atlas is fitted to the subject by a nonrigid warp using a set of surface landmarks. The warped atlas is used to compute a finite element model (FEM) of the forward mapping or lead-fields between neural current generators and the EEG electrodes. These lead-fields are used to localize current sources from the subject's EEG data and the sources are then mapped back to the anatomical atlas. This approach provides a mechanism for comparing source localizations across subjects in an atlas-based coordinate system, which can be used in the large fraction of EEG studies in which MR images are not available. The Montreal brain atlas was used as the reference anatomical atlas and 10 individual MR volumes were used to evaluate the method. The atlas was fitted to each subject's head by a thin-plate-spline (TPS) warp. The spatial locations of a generic 155-electrode configuration were used to constrain the warp. For the purposes of evaluation, dipolar sources were placed on the inner cortical surface in the atlas geometry and transferred to each subject's brain space using a polynomial warp. The parameters of the warp were computed using an intensity-based matching of the atlas and subject brains, thus ensuring that the sources were placed at approximately the same anatomical location in each case. Data were simulated in the subject geometry and a dipole fit was performed on these data using an FEM of the TPS warped atlas. The source positions found in the warped atlas were transferred back to the original atlas and compared to the original position. Sources were simulated at 972 locations evenly distributed over the inner cortical surface of the atlas. The mean error over all 10 subjects was 8.1 mm in the subject space and 15.2 mm in the atlas space. In comparison, using an affine transformation of the electrodes into atlas space and an FEM model generated from the atlas produced mean errors of 22.3 mm in subject space and 19.6 mm in atlas space. With a standard three-shell spherical model the errors were 27.2 mm in the subject space and 34.7 mm when mapped to atlas space. C1 Univ So Calif, Inst Signal & Image Proc, Los Angeles, CA 90089 USA. Raytheon Elect Syst, El Segundo, CA USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Leahy, RM (reprint author), Univ So Calif, Inst Signal & Image Proc, 3740 McClintock Ave, Los Angeles, CA 90089 USA. EM leahy@sipi.usc.edu RI Rohlf, F/A-8710-2008 FU NCRR NIH HHS [P41 RR013642]; NIBIB NIH HHS [R01 EB002010] NR 32 TC 31 Z9 31 U1 0 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1065-9471 J9 HUM BRAIN MAPP JI Hum. Brain Mapp. PD FEB PY 2006 VL 27 IS 2 BP 129 EP 143 DI 10.1002/hbm.20171 PG 15 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 008PY UT WOS:000235054400004 PM 16037984 ER PT J AU Ahituv, N Kavaslar, N Schackwitz, W Ustaszewska, A Collier, JM Hebert, S Doelle, H Dent, R Pennacchio, LA McPherson, R AF Ahituv, N Kavaslar, N Schackwitz, W Ustaszewska, A Collier, JM Hebert, S Doelle, H Dent, R Pennacchio, LA McPherson, R TI A PYY Q62P variant linked to human obesity SO HUMAN MOLECULAR GENETICS LA English DT Article ID INHIBITS FOOD-INTAKE; Y2 RECEPTOR GENES; PEPTIDE YY; PANCREATIC-POLYPEPTIDE; EXPRESSION; PYY3-36; Y-1 AB Peptide YY (PYY) has been implicated in the control of food intake through functional studies in rodents and humans. To investigate whether genetic alterations within this gene result in abnormal weight in humans, we sequenced its coding exons and splice sites in a large cohort of extremely obese [n = 379; average body mass index (BMI), 49.0 kg/m(2)] and lean (n = 378; average BMI, 19.5 kg/m(2)) individuals. In total, three rare non-synonymous variants were identified, only one of which, PYY Q62P, exhibited familial segregation with body mass. Through serendipity, previous studies based on cell culture revealed this precise variant to have altered receptor-binding selectivity in vitro. We further show, using mouse peptide injection experiments, that while the wild-type PYY peptide reduces food intake, the mutant PYY 62P had an insignificant effect in reducing food intake in vivo. Taken together, these results are the first to support that rare sequence variants within PYY can influence human susceptibility to obesity. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Ottawa, Inst Heart, Div Cardiol & Lipoprot, Ottawa, ON K1Y 4W7, Canada. Univ Ottawa, Inst Heart, Atherosclerosis Res Grp, Ottawa, ON K1Y 4W7, Canada. RP Pennacchio, LA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, 1 Cyclotron Rd,MS 84-171, Berkeley, CA 94720 USA. EM lapennacchio@lbl.gov OI Ahituv, Nadav/0000-0002-7434-8144 NR 24 TC 20 Z9 21 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0964-6906 J9 HUM MOL GENET JI Hum. Mol. Genet. PD FEB 1 PY 2006 VL 15 IS 3 BP 387 EP 391 DI 10.1093/hmg/ddi455 PG 5 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA 004VF UT WOS:000234779900002 PM 16368708 ER PT J AU Sahoo, B Keune, W Schuster, E Sturhahn, W Toellner, TS Alp, EE AF Sahoo, B. Keune, W. Schuster, E. Sturhahn, W. Toellner, T. S. Alp, E. E. TI Amorphous Fe-Mg alloy thin films: magnetic properties and atomic vibrational dynamics SO HYPERFINE INTERACTIONS LA English DT Article DE conversion electron Mossbauer spectroscopy; nuclear resonant inelastic X-ray scattering; Fe-Mg amorphous alloys; magnetic properties; atomic vibrational dynamics ID DENSITY-OF-STATES; X-RAY-SCATTERING; NUCLEAR RESONANT SCATTERING; SYNCHROTRON-RADIATION; LATTICE-DYNAMICS; CRYSTALLINE; MULTILAYERS AB Amorphous (a-) Fe (x) Mg1-x alloys are interesting materials for the investigation of non-Debye-like low-energy vibrational excitations. We have prepared a-Fe (x) Mg1-x alloy thin films (0.3 <= x <= 0.7) by vapour quenching. The amorphous state was confirmed by conversion electron Mossbauer spectroscopy between 4.2-300 K, and the x- and temperature-dependence of the isomer shift and hyperfine magnetic field was measured. For x= 0.6 and 0.7, magnetic ordering occurs below similar to 150 K. The atomic vibrational density of states, g(E), was determined by nuclear resonant inelastic scattering, providing clear evidence for the non-Debye-like low-energy vibrational excitations. C1 Univ Duisburg Gesamthsch, Appl Phys Lab, D-47048 Duisburg, Germany. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Sahoo, B (reprint author), Univ Duisburg Gesamthsch, Appl Phys Lab, D-47048 Duisburg, Germany. EM balaram_sahoo@uni-duisburg.de RI Sahoo, Balaram/E-4828-2011 OI Sahoo, Balaram/0000-0002-2050-4746 NR 35 TC 0 Z9 0 U1 2 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0304-3843 J9 HYPERFINE INTERACT JI Hyperfine Interact. PD FEB PY 2006 VL 168 IS 1-3 BP 1185 EP 1190 DI 10.1007/s10751-006-9421-3 PG 6 WC Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Physics, Nuclear SC Physics GA 127AE UT WOS:000243556100043 ER PT J AU Johnson, RE Luhmann, JG Tokar, RL Bouhram, M Berthelier, JJ Sittler, EC Cooper, JF Hill, TW Smith, HT Michael, M Liu, M Crary, FJ Young, DT AF Johnson, RE Luhmann, JG Tokar, RL Bouhram, M Berthelier, JJ Sittler, EC Cooper, JF Hill, TW Smith, HT Michael, M Liu, M Crary, FJ Young, DT TI Production, ionization and redistribution of O-2 in Saturn's ring atmosphere SO ICARUS LA English DT Article DE Saturn; magnetosphere; atmosphere; rings ID WATER ICE; INNER MAGNETOSPHERE; GALILEAN SATELLITES; OXYGEN ATMOSPHERE; HEAVY-IONS; PLASMA; RADIATION; EROSION; SURFACE; SYSTEM AB Molecular oxygen produced by the decomposition of icy surfaces is ubiquitous in Saturn's magnetosphere. A model is described for the toroidal O-2 atmosphere indicated by the detection of O-2(+) and O+ over the main rings. The O-2 ring atmosphere is produced primarily by UV photon-induced decomposition of ice oil the sunlit side of the ring. Because O-2 has a long lifetime and interacts frequently with the ring particles, equivalent columns of O-2 exist above and below the ring plane with the scale height determined by the local ring temperature. Energetic particles also decompose ice, but estimates of their contribution over the main rings appear to be very low. In steady state the O-2 column density over the rings also depends on the relative efficiency of hydrogen to oxygen loss from the ring/atmosphere system with oxygen being recycled oil the grain surfaces. Unlike the neutral density, the ion densities call differ oil the Sunlit and shaded sides due to differences in the ionization rate, the quenching of ions by the interaction with the ring particles, and the northward shift of the magnetic equator relative to the ring plane. Although O+ is produced with a significant excess energy O-2(+) is not. Therefore. O-2(+) should mirror well below those altitudes at which ions were detected. However, scattering by ion-molecule collisions results in much larger mirror altitudes, in ion temperatures that go through a minimum over the B-ring, and in the redistribution of both molecular hydrogen and oxygen throughout the magnetosphere. The proposed model is used to describe the measured oxygen ion densities in Saturn's toroidal ring atmosphere and its hydrogen content. The oxygen ion densities over the B-ring appear to require either significant levels of UV light scattering or ion transmission through the ring plane. (c) 2005 Elsevier Inc. All rights reserved. C1 Univ Virginia, Charlottesville, VA 22904 USA. NYU, Dept Phys, New York, NY 10003 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. Observ St Maur, Ctr Etud Environm Terr & Planetaires, F-94107 St Maur, France. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Rice Univ, Dept Phys & Astron, Houston, TX 77251 USA. 9VTT Informat Technol, SW Res Inst, San Antonio, TX 78238 USA. RP Johnson, RE (reprint author), Univ Virginia, Charlottesville, VA 22904 USA. EM rej@virginia.edu RI Cooper, John/D-4709-2012; Smith, Howard/H-4662-2016 OI Smith, Howard/0000-0003-3537-3360 NR 51 TC 59 Z9 59 U1 0 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0019-1035 J9 ICARUS JI Icarus PD FEB PY 2006 VL 180 IS 2 BP 393 EP 402 DI 10.1016/j.icarus.2005.08.021 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 009DT UT WOS:000235092200012 ER PT J AU Arghavani, R Xia, L M'Saad, H Balseanu, M Karunasiri, G Mascarenhas, A Thompson, SE AF Arghavani, R Xia, L M'Saad, H Balseanu, M Karunasiri, G Mascarenhas, A Thompson, SE TI A reliable and manufacturable method to induce a stress of > 1 GPa on a p-channel MOSFET in high volume manufacturing SO IEEE ELECTRON DEVICE LETTERS LA English DT Article DE compressive silicon; mobility enhancement; Si-Ge; strain; strained transistors; stress; stress nitride; stress oxide; tensile silicon AB This letter discusses a reliable and manufacturable-integration technique to induce greater than 1 GPa of stress into a p-channel MOSFET, which will be required to increase the drive current beyond I mA/mu m at the sub-90-nm process generation. Uniaxial compressive stress is introduced into the p-channel by both a selective deposition of SiGe in the source/drain and an engineered 2.5-GPa compressively stressed nitride. The highest to date compressively stressed SiN film is obtained by heavy ion bombardment during the deposition of the film. C1 Appl Mat Inc, Santa Clara, CA 95054 USA. USN, Postgrad Sch, Dept Phys, Monterey, CA 93943 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. Univ Florida, Coll Engn, Gainesville, FL 32611 USA. RP Arghavani, R (reprint author), Appl Mat Inc, Santa Clara, CA 95054 USA. EM Reza-Arghavani@amat.com NR 5 TC 19 Z9 19 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0741-3106 J9 IEEE ELECTR DEVICE L JI IEEE Electron Device Lett. PD FEB PY 2006 VL 27 IS 2 BP 114 EP 116 DI 10.1109/LED.2005.862277 PG 3 WC Engineering, Electrical & Electronic SC Engineering GA 005UV UT WOS:000234850400012 ER PT J AU Batrakov, AV Onischenko, SA Proskurovsky, DI Johnson, DJ AF Batrakov, AV Onischenko, SA Proskurovsky, DI Johnson, DJ TI On priorities of cathode and anode contaminations in triggering the short-pulsed voltage breakdown in vacuum SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article; Proceedings Paper CT 21st International Symposium on Discharges and Electrical Insulation in Vacuum CY SEP 27-OCT 01, 2004 CL Yalta, UKRAINE SP Tavrida Elect, IEEE, DEIS, Sandia Natl Labs, ABB, Toshiba, Rusian Acad Sci DE vacuum breakdown; vacuum insulation; vacuum measurement ID DUST PARTICLES; PLASMA; LASER AB Modern theoretical notations on electrical breakdown in vacuum consider cathode triggering mechanisms to be most responsible on short-pulsed (<1 mu s) breakdowns while anode mechanisms to be responsible in a part on dc and long-pulsed breakdowns. Following those notations, we tried to reveal conditions at which either mechanism steps aside to another one. The study involved several experimental techniques including the anode-probe surface scanning, pulsed electron-beam surface melting in vacuum for surface cleaning, and intentional dust particle contamination of electrode surfaces. Breakdown tests were performed using a pulser capable of producing 220 kV quasi-square pulses that were adjustable to similar to 30 to 80 ns pulse length. Our experiments showed that cathode emission sites are responsible for breakdowns at relatively low hold-off fields. At higher electric fields of up to 1 MV/cm, the anode share in the mechanism of triggering breakdown becomes probably more significant than the cathode mechanism. C1 Russian Acad Sci, Inst High Current Elect, SB, Tomsk 634055, Russia. Sandia Natl Labs, Albuquerque, NM 87115 USA. RP Batrakov, AV (reprint author), Russian Acad Sci, Inst High Current Elect, SB, 2-3 Akad Ave, Tomsk 634055, Russia. RI Batrakov, Alexander/E-1326-2014; Onischenko, Sergey/E-9752-2017 OI Batrakov, Alexander/0000-0003-3002-4276; Onischenko, Sergey/0000-0003-4409-1322 NR 26 TC 9 Z9 9 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1070-9878 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD FEB PY 2006 VL 13 IS 1 BP 41 EP 51 DI 10.1109/TDEI.2006.1593400 PG 11 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 013OR UT WOS:000235419200007 ER PT J AU Johnson, DJ Savage, ME Sharpe, RA Batrakov, AV Proskurovsky, DI AF Johnson, DJ Savage, ME Sharpe, RA Batrakov, AV Proskurovsky, DI TI Pulsed HV vacuum breakdown of polished, powder coated, and E-beam treated large area stainless steel electrodes with 0.5 to 7 mm gaps SO IEEE TRANSACTIONS ON DIELECTRICS AND ELECTRICAL INSULATION LA English DT Article; Proceedings Paper CT 21st International Symposium on Discharges and Electrical Insulation in Vacuum CY SEP 27-OCT 01, 2004 CL Yalta, UKRAINE SP Tavrida Elect, IEEE, DEIS, Sandia Natl Labs, ABB, Toshiba, Rusian Acad Sci DE electrical insulation in vacuum; electrical breakdown in vacuum; vacuum discharge ID FIELD-EMISSION SITES; ELECTRICAL BREAKDOWN; PREBREAKDOWN CURRENTS; LOW-ENERGY; MICROPARTICLES; CATHODES; SURFACE AB An investigation of the HV vacuum breakdown between polished. powder coated, and e-beam treated 304L and 316L stainless steel electrodes is described. Tests were performed with 160 ns, 1-cos(omega t), and 260 ns flat-top voltage pulses of up to 500 kV. The high voltage hold-off for the 160 ns pulse was similar to 130 kV/mm for 2 mm gaps for 80-mm diameter polished stainless steel electrodes, and 15% lower for 120-mm polished and e-beam treated electrodes. The longer 260 ns pulse gave 15% lower hold-off for 80-mm electrodes. These electrodes showed voltage hold-off that scaled as the square root of the gap between 0.5 and 7 mm. This total voltage effect has been interpreted in the past as due to accelerated particles. We analyze our data in terms of this mechanism and show that only nanoparticles of molecular size could be responsible. We also discuss how ions or background gas could affect the breakdown thresholds but existing models do not predict square root dependence. We test how extremely fine powers affect hold-off and show that contaminated surfaces have relatively constant reduced breakdown E-fields that intersect the clean-electrode voltage-dependent breakdown at critical gaps defined by the type and quantity of contamination. The hold-off was similar to 55 and 65 kV/mm with copper powder on the cathode and anode for 2 to 6.5 mm gaps, respectively, and similar to 95 and 75 kV/mm for tale powder on the cathode and anode for gaps <3.5 and 6.5 mm. Optical diagnostics show no difference in the light emission from clean and contaminated electrode breakdown arcs. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. RP Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Batrakov, Alexander/E-1326-2014 OI Batrakov, Alexander/0000-0003-3002-4276 NR 41 TC 10 Z9 10 U1 1 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1070-9878 EI 1558-4135 J9 IEEE T DIELECT EL IN JI IEEE Trns. Dielectr. Electr. Insul. PD FEB PY 2006 VL 13 IS 1 BP 52 EP 64 DI 10.1109/TDEI.2006.1593401 PG 13 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 013OR UT WOS:000235419200008 ER PT J AU Kjornrattanawanich, B Korde, R Boyer, CN Holland, GE Seely, JF AF Kjornrattanawanich, B Korde, R Boyer, CN Holland, GE Seely, JF TI Temperature dependence of the EUV responsivity of silicon photodiode detectors SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE extreme ultraviolet (EUV) photodiodes; silicon radiation detectors; ultraviolet detectors ID STABILITY AB Responsivity of silicon photodiodes was measured from -100 C to +50 C in the 3 to 250 nm wavelength range using synchrotron and laboratory radiation sources. Two types of silicon photodiodes were studied, the AXUV series having a thin nitrided silicon dioxide surface layer and the SXUV series having a thin metal silicide surface layer. Depending on the wavelength, the responsivity increases with temperature with the rates 0.013%/C to 0.053%/C for the AXUV photodiode and 0.020%/C to 0.084%/C for the SXUV photodiode. The increase in responsivity is consistent with the decrease in the silicon bandgap energy which causes a decrease in the pair creation energy. These results are particularly important for dose measurement in extreme ultraviolet (EUV) lithography steppers and sources since the detector temperature often increases because of the high EUV intensities involved. C1 Univ Space Res Assoc, Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Int Radiat Detectors Inc, Torrance, CA 90505 USA. Praxis Inc, Alexandria, VA 22314 USA. Div Space Sci, Largo, MD 20774 USA. USN, Res Lab, Div Space Sci, Washington, DC 20375 USA. RP Kjornrattanawanich, B (reprint author), Univ Space Res Assoc, Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. EM benjawan@bnl.gov; john.seely@nrl.navy.mil NR 13 TC 9 Z9 12 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9383 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD FEB PY 2006 VL 53 IS 2 BP 218 EP 223 DI 10.1109/TED.2005.862500 PG 6 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 005UX UT WOS:000234850600006 ER PT J AU Braudaway, DW AF Braudaway, DW TI Uncertainty specification for data acquisition (DAQ) devices SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article DE calibration; coverage factor; expanded uncertainty DAQ; statistics; uncertainty AB Specification of uncertainty has historically been done by a variety of methods with differences in results, especially for instruments and standards that achieve small uncertainty values. A relatively simple but practical approach is used in newly published standard IEC 62008 1st Edition, "Performance characteristics and calibration methods for digital data acquisition systems and relevant software." The standard currently covers only relevant manufacturer's specifications for direct current (dc) data acquisition (DAQ) devices. These are plug-in cards without the associated computer for readout and control or power supply. Rather than complete instruments, the cards require an associated computer for readout and control. The history of uncertainty is reviewed; some popular current techniques for specifying uncertainty are compared. The components of uncertainty chosen for DAQ plug-in cards are reviewed, and their effects are discussed. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. EM dwbraudaway@worldnet.att.net NR 10 TC 3 Z9 3 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD FEB PY 2006 VL 55 IS 1 SI SI BP 74 EP 78 DI 10.1109/TIM.2005.862014 PG 5 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 015ET UT WOS:000235535400011 ER PT J AU Bradley, EL Cella, J Majewski, S Popov, V Qian, JG Saha, MS Smith, MF Weisenberger, AG AF Bradley, EL Cella, J Majewski, S Popov, V Qian, JG Saha, MS Smith, MF Weisenberger, AG TI A compact gamma camera for biological imaging SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE biomedical imaging; scintillation detectors; single photon emission computed tomography; small animal imaging ID RESOLUTION; EXPRESSION; SYSTEM; PERFORMANCE; TOMOGRAPHY; SYMPORTER; DESIGN AB A compact detector, sized particularly for imaging a mouse, is described. The active area of the detector is approximately 46 mm x 96 mm. Two flat-panel Hamamatsu H8500 position-sensitive photomultiplier tubes (PSPMTs) are coupled to a pixellated NaI(TI) scintillator which views the animal through a copper-beryllium (CuBe) parallel-hole collimator specially designed for I-125. Although the PSPMTs have insensitive areas at their edges and there is a physical gap, corrections for scintillation light collection at the junction between the two tubes results in a uniform response across the entire rectangular area of the detector. The system described has been developed to optimize both sensitivity and resolution for in-vivo imaging of small animals injected with iodinated compounds. We demonstrate an in-vivo application of this detector, particularly to SPECT, by imaging mice injected with approximately 10-15 mu Ci of I-125. C1 Coll William & Mary, Dept Biol, Williamsburg, VA 23187 USA. Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. RP Bradley, EL (reprint author), Coll William & Mary, Dept Biol, Williamsburg, VA 23187 USA. EM elbrad@wm.edu RI Qian, Jianguo/B-3663-2010 NR 32 TC 15 Z9 15 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 59 EP 65 DI 10.1109/TNS.2005.862977 PN 1 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GA UT WOS:000236473800012 ER PT J AU Kundu, BK Stolin, AV Pole, J Baumgart, L Fontaine, M Wojcik, R Kross, B Zorn, C Majewski, S Williams, MB AF Kundu, BK Stolin, AV Pole, J Baumgart, L Fontaine, M Wojcik, R Kross, B Zorn, C Majewski, S Williams, MB TI Tri-modality small animal imaging system SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article AB Our group is developing a scanner that combines x-ray, single gamma, and optical imaging on the same rotating gantry. Two functional modalities (SPECT and optical) are included because they have different strengths and weaknesses in terms of spatial and temporal decay lengths in the context of in vivo imaging, and because of the recent advent of multiple reporter gene constructs. The effect of attenuation by biological tissue on the detected intensity of the emitted signal was measured for both gamma and optical imaging. Attenuation by biological tissue was quantified for both the bioluminescent emission of luciferace and for the emission light of the near infrared fluorophore cyanine 5.5, using a fixed excitation light intensity. Experiments were performed to test the feasibility of using either single gamma or x-ray imaging to make depth-dependent corrections to the measured optical signal. Our results suggest that significant improvements in quantitation of optical emission are possible using straightforward correction techniques based on information from other modalities. Development of an integrated scanner in which data from each modality are obtained with the animal in a common configuration will greatly simplify this process. C1 Univ Virginia, Dept Radiol, Charlottesville, VA 22904 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Kundu, BK (reprint author), Univ Virginia, Dept Radiol, Charlottesville, VA 22904 USA. EM bkk5a@virginia.edu NR 10 TC 6 Z9 6 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 66 EP 70 DI 10.1109/TNS.2005.862970 PN 1 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GA UT WOS:000236473800013 ER PT J AU Moses, WW Ullisch, M AF Moses, WW Ullisch, M TI Factors influencing timing resolution in a commercial LSO PET camera SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE LSO; PET; time-of-flight; timing resolution ID TIME-OF-FLIGHT; CONSTANT-FRACTION DISCRIMINATOR; GAMMA-RAY SPECTROSCOPY; PHOTOMULTIPLIER SYSTEMS; RESEARCH TOMOGRAPH; PERFORMANCE; SCINTILLATOR; CE; RBGD2BR7-CE; CIRCUITS AB The CPS Accel is a commercial PET camera based on a block detector with 64 LSO scintillator crystals (each 6.75 x 6.75 x 25 mm) read out with 4 photomultiplier tubes. The excellent timing resolution of LSO suggests that this camera might be used for time-of-flight (TOF) PET, thereby reducing the statistical noise significantly. Although the Accel achieves 3 ns coincidence resolution (a factor of two better than BGO-based PET cameras), its timing resolution is nearly an order of magnitude worse than that demonstrated with individual LSO crystals. This paper quantifies the effect on the timing of each component in the Accel timing chain to identify which components most limit the camera's timing resolution. The components in the timing chain are: the scintillator crystal, the photomultiplier tube (PMT), the constant fraction discriminator (CFD), and the time to digital converter (TDC). To measure the contribution of each component, we construct a single crystal test system with high-performance versions of these components. This system achieves 221 ps FWHM coincidence timing resolution, which is used as a baseline measurement. One of the high-performance components is replaced by a production component, the coincidence timing resolution is re-measured, and the difference between measurements is the contribution of that (production) component. We find that the contributions of the TDC, CFD, PMT, and scintillator are 2000 ps, 1354 ps, 422 ps, and 326 ps FWHM, respectively, and that the overall timing resolution scales like the square root of the amount of scintillation light detected by the PMT. Based on these measurements we predict that the limit for the coincidence timing resolution in a practical, commercial, LSO-based PET camera is 528 ps FWHM. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Hamburg, Hamburg, Germany. RP Moses, WW (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM wwmoses@lbl.gov; marcus@ullisch.de NR 40 TC 40 Z9 41 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 78 EP 85 DI 10.1109/TNS.2005.862980 PN 1 PG 8 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GA UT WOS:000236473800015 ER PT J AU Qi, JY AF Qi, JY TI Comparison of statistical reconstructions with isotropic and anisotropic resolution in PET SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Emission tomography; detection; image reconstruction; penalized likelihood; point spread function; quantification ID LIKELIHOOD IMAGE-RECONSTRUCTION; HUMAN OBSERVER; MAP RECONSTRUCTION; HEPATIC SPECT; TOMOGRAPHY AB Statistical reconstruction methods based on the penalized maximum likelihood (or maximum a posteriori) principle have gained increasing attention in emission tomography. Fessler and Rogers have shown in 1996 that penalized maximum likelihood reconstruction with a conventional quadratic penalty results in anisotropic point spread functions (PSFs). Since then several approaches have been developed to design modified penalty functions to achieve isotropic PSFs. While an image with an isotropic PSF may be useful in some situations, its performance on clinical detection and quantitation tasks is unknown. In this paper we compare the task performances between reconstructions with isotropic and anisotropic PSFs using computer simulations. The performance on lesion detection is measured by a channelized Hotelling observer, and the performance on region of interest quantitation is evaluated by the bias and variance tradeoff. The results show that reconstructions with a conventional quadratic penalty function (anisotropic resolution) outperform post-smoothed maximum likelihood reconstructions (isotropic resolution) for both tasks, which indicates that isotropic resolution may not be suitable for lesion detection and quantitation. C1 Univ Calif Davis, Dept Biomed Engn, Davis, CA 95616 USA. Lawrence Berkeley Natl Lab, Dept Funct Imaging, Berkeley, CA 94720 USA. RP Qi, JY (reprint author), Univ Calif Davis, Dept Biomed Engn, Davis, CA 95616 USA. EM qi@ucdavis.edu RI Qi, Jinyi/A-1768-2010 OI Qi, Jinyi/0000-0002-5428-0322 NR 22 TC 3 Z9 3 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 147 EP 151 DI 10.1109/TNS.2005.862984 PN 1 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GA UT WOS:000236473800025 ER PT J AU Allison, J Amako, K Apostolakis, J Araujo, H Dubois, PA Asai, M Barrand, G Capra, R Chauvie, S Chytracek, R Cirrone, GAP Cooperman, G Cosmo, G Cuttone, G Daquino, GG Donszelmann, M Dressel, M Folger, G Foppiano, F Generowicz, J Grichine, V Guatelli, S Gumplinger, P Heikkinen, A Hrivnacova, I Howard, A Incerti, S Ivanchenko, V Johnson, T Jones, F Koi, T Kokoulin, R Kossov, M Kurashige, H Lara, V Larsson, S Lei, F Link, O Longo, F Maire, M Mantero, A Mascialino, B McLaren, I Lorenzo, PM Minamimoto, K Murakami, K Nieminen, P Pandola, L Parlati, S Peralta, L Perl, J Pfeiffer, A Pia, MG Ribon, A Rodrigues, P Russo, G Sadilov, S Santin, G Sasaki, T Smith, D Starkov, N Tanaka, S Tcherniaev, E Tome, B Trindade, A Truscott, P Urban, L Verderi, M Walkden, A Wellisch, JP Williams, DC Wright, D Yoshida, H AF Allison, J Amako, K Apostolakis, J Araujo, H Dubois, PA Asai, M Barrand, G Capra, R Chauvie, S Chytracek, R Cirrone, GAP Cooperman, G Cosmo, G Cuttone, G Daquino, GG Donszelmann, M Dressel, M Folger, G Foppiano, F Generowicz, J Grichine, V Guatelli, S Gumplinger, P Heikkinen, A Hrivnacova, I Howard, A Incerti, S Ivanchenko, V Johnson, T Jones, F Koi, T Kokoulin, R Kossov, M Kurashige, H Lara, V Larsson, S Lei, F Link, O Longo, F Maire, M Mantero, A Mascialino, B McLaren, I Lorenzo, PM Minamimoto, K Murakami, K Nieminen, P Pandola, L Parlati, S Peralta, L Perl, J Pfeiffer, A Pia, MG Ribon, A Rodrigues, P Russo, G Sadilov, S Santin, G Sasaki, T Smith, D Starkov, N Tanaka, S Tcherniaev, E Tome, B Trindade, A Truscott, P Urban, L Verderi, M Walkden, A Wellisch, JP Williams, DC Wright, D Yoshida, H TI Geant4 developments and applications SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE electromagnetic interactions; hadronic interactions; object-oriented technology; particle interactions; physics validation; simulation ID SIMULATION; PHYSICS; TOOLKIT; NUCLEI AB Geant4 is a software toolkit for the simulation of the passage of particles through matter. It is used by a large number of experiments and projects in a variety of application domains, including high energy physics, astrophysics and space science, medical physics and radiation protection. Its functionality and modeling capabilities continue to be extended, while its performance is enhanced. An overview of recent developments in diverse areas of the toolkit is presented. These include performance optimization for complex setups; improvements for the propagation in fields; new options for event biasing; and additions and improvements in geometry, physics processes and interactive capabilities. C1 Univ Manchester, Manchester M13 9PL, Lancs, England. Natl Lab High Energy Phys, KEK, Tsukuba, Ibaraki 3050801, Japan. CERN, CH-1211 Geneva, Switzerland. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Cantabria, E-39005 Santander, Spain. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. LAL, F-91898 Orsay, France. Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. Ist Nazl Fis Nucl, Sez Turin, I-10125 Turin, Italy. Azienda Osped Santa Croce & Carle Cuneo, I-10125 Turin, Italy. Ist Nazl Fis Nucl, Lab Nazl Sud, I-95123 Catania, Italy. Northeastern Univ, Boston, MA 02115 USA. IST Ist Nazl Ric Cancro, I-16132 Genoa, Italy. PN Lebedev Phys Inst, Moscow 117924, Russia. TRIUMF, Vancouver, BC V6T 2A3, Canada. Inst Nucl Phys, F-91898 Orsay, France. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Univ Bordeaux 1, CENBG, CNRS, IN2P3, F-33175 Gradignan, France. Moscow Engn Phys Inst, RU-115409 Moscow, Russia. Kobe Univ, Kobe, Hyogo 657, Japan. Inst Fis Corpuscular, E-46071 Valencia, Spain. Karolinska Inst, SE-17177 Stockholm, Sweden. Qinetiq, Farnborough GU14 0LX, Hants, England. Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. LAPP, F-74941 Annecy Le Vieux, France. Naruto Univ Educ, Tokushima 7728502, Japan. European Space Agcy, NL-2200 AG Noordwijk, Netherlands. Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67010 Assergi, Italy. LIP, P-1000149 Lisbon, Portugal. Ritsumeikan Univ, Shiga 5258577, Japan. RMKI, H-1525 Budapest, Hungary. Ecole Polytech, F-91128 Palaiseau, France. Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. RP Allison, J (reprint author), Univ Manchester, Manchester M13 9PL, Lancs, England. EM Katsuya.Amako@kek.jp RI Arce, Pedro/L-1268-2014; cuttone, giacomo/C-4085-2009; russo, giorgio/K-8855-2016; Kokoulin, Rostislav/A-5689-2011; Peralta, Luis/C-8369-2011; Pia, Maria Grazia/C-7034-2012; Kurashige, Hisaya/H-4916-2012; Sasaki, Takashi/K-6031-2012; Guatelli, Susanna/C-2896-2014; Tome, Bernardo/J-4410-2013; Grichine, Vladimir/M-8526-2015; Tcherniaev, Evgueni/G-3453-2016; Cirrone, Giuseppe Pablo/I-6474-2015; Starkov, Nikolai/D-9293-2014 OI Arce, Pedro/0000-0003-3009-0484; Chauvie, Stephane/0000-0003-4394-5031; Cuttone, Giacomo/0000-0002-9534-4855; Araujo, Henrique/0000-0002-5972-2783; Incerti, Sebastien/0000-0002-0619-2053; russo, giorgio/0000-0003-1493-1087; Peralta, Luis/0000-0002-3834-1762; Pia, Maria Grazia/0000-0002-3579-9639; Sasaki, Takashi/0000-0003-1591-7252; Tome, Bernardo/0000-0002-7564-8392; Tcherniaev, Evgueni/0000-0002-3685-0635; Cirrone, Giuseppe Pablo/0000-0001-5733-9281; Starkov, Nikolai/0000-0001-5735-2451 NR 51 TC 2022 Z9 2064 U1 12 U2 105 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 270 EP 278 DI 10.1109/TNS.2006.869826 PN 2 PG 9 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GB UT WOS:000236473900008 ER PT J AU Warren, GA Smith, LE Aalseth, CE Ellis, JE Valsan, AB Mengesha, W AF Warren, GA Smith, LE Aalseth, CE Ellis, JE Valsan, AB Mengesha, W TI Generalized multicoincidence analysis methods SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE coincidence systems; environmental sampling; nuclear forensics; radionuclides analysis ID RADIONUCLIDE ANALYSIS SYSTEMS AB The ability to conduct automated trace radionuclide analysis at or near the sample collection point would provide a valuable tool for emergency response, environmental monitoring, and verification of treaties and agreements. Pacific Northwest National Laboratory is developing systems for this purpose based on dual gamma-ray spectrometers, e.g., NaI(TI) or HPGe, combined with thin organic scintillator sensors to detect light charged particles. Translating the coincident signatures recorded by these systems, which include beta gamma, gamma gamma, and beta gamma gamma, into the concentration of detectable radionuclides in the sample requires generalized multi-coincidence analysis tools. The development and validation of the Coincidence Lookup Library, which currently contains the probabilities of single and coincidence signatures from more than 420 isotopes, is described. Also discussed is a method to calculate the probability of observing a coincidence signature which incorporates true coincidence summing effects. These effects are particularly important for high-geometric-efficiency detection systems. Finally, a process for verifying the integrated analysis software package is demonstrated using GEANT 4 simulations of the prototype detector systems. C1 Pacific NW Natl Lab, Radiol & Chem Sci Grp, Richland, WA 99352 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP Warren, GA (reprint author), Pacific NW Natl Lab, Radiol & Chem Sci Grp, Richland, WA 99352 USA. EM glen.warren@pnl.gov; eric.smith@pnl.gov; craig.aalseth@pnl.gov; edward.ellis@pnl.gov; andrei.valsan@pnl.gov; wmenges@sandia.gov NR 9 TC 1 Z9 1 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 351 EP 355 DI 10.1109/TNS.2006.869840 PN 2 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GB UT WOS:000236473900022 ER PT J AU Uplegger, L Appel, JA Artuso, M Cardoso, G Cease, HP Chiodini, G Christian, DC Cinabro, DA Coluccia, R Hoff, J Kwan, S Magni, S Mekkaoui, A Menasce, D Newsom, C Papavassiliou, V Schreiner, A Turqueti, MA Yarema, R Wang, JC AF Uplegger, L Appel, JA Artuso, M Cardoso, G Cease, HP Chiodini, G Christian, DC Cinabro, DA Coluccia, R Hoff, J Kwan, S Magni, S Mekkaoui, A Menasce, D Newsom, C Papavassiliou, V Schreiner, A Turqueti, MA Yarema, R Wang, JC TI First look at the beam test results of the FPIX2 readout chip for the BTeV silicon pixel detector SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE elementary particles; silicon radiation detectors; vertex detectors ID SENSORS AB High energy and nuclear physics experiments need tracking devices with increasing spatial precision and readout speed in the face of ever-higher track densities and increased radiation environments. The new generation of hybrid pixel detectors (arrays of silicon diodes bump bonded to arrays of front-end electronic cells) is the technology able to meet these challenges. We report the first results of the BTeV silicon pixel detector beam test carried out at Fermilab in summer 2004. Tests were performed using a 120 GeV/c proton beam incident on a 6 plane pixel detector telescope. The last prototype developed for the BTeV experiment (FPIX2) is tested in the middle of the telescope. There is no external trigger, and events were built using the time-stamp information provided by the readout chips. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Syracuse Univ, Syracuse, NY 13441 USA. Ist Nazl Fis Nucl, I-73100 Lecce, Italy. Wayne State Univ, Detroit, MI 48202 USA. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Iowa, Iowa City, IA 52242 USA. New Mexico State Univ, Las Cruces, NM 88003 USA. RP Uplegger, L (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM uplegger@fnal.gov RI Menasce, Dario Livio/A-2168-2016 OI Menasce, Dario Livio/0000-0002-9918-1686 NR 6 TC 3 Z9 3 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2006 VL 53 IS 1 BP 409 EP 413 DI 10.1109/TNS.2006.869851 PN 2 PG 5 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 028GB UT WOS:000236473900032 ER PT J AU Skinner, JL Cardinale, GF Talin, AA Brocato, RW AF Skinner, JL Cardinale, GF Talin, AA Brocato, RW TI Effect of critical dimension variation on SAW correlator energy SO IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL LA English DT Article ID WAVES AB The effect of critical dimension (CD) variation and metallization ratio on the efficiency of energy conversion of a surface acoustic wave (SAW) correlator is examined. We find that a :10% variation in the width of finger electrodes predicts only a 1% decrease in the efficiency of energy conversion. Furthermore, our model predicts that a metallization ratio of 0.74 represents an optimum value for energy extraction from the SAW by the interdigitated transducer (IDT). C1 Sandia Natl Labs, Livermore, CA 94550 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Skinner, JL (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM jlskinn@sandia.gov NR 10 TC 2 Z9 2 U1 1 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-3010 J9 IEEE T ULTRASON FERR JI IEEE Trans. Ultrason. Ferroelectr. Freq. Control PD FEB PY 2006 VL 53 IS 2 BP 497 EP 501 DI 10.1109/TUFFC.2006.1593390 PG 5 WC Acoustics; Engineering, Electrical & Electronic SC Acoustics; Engineering GA 012FG UT WOS:000235323000028 PM 16529126 ER PT J AU Seppanen, O Fisk, WJ Lei, QH AF Seppanen, O Fisk, WJ Lei, QH TI Ventilation and performance in office work SO INDOOR AIR LA English DT Article DE productivity; performance; ventilation; ventilation rate; office work ID CALL-CENTER OPERATORS; AIR SUPPLY RATE; BUILDINGS; QUALITY AB Outdoor air ventilation rates vary considerably between and within buildings, and may be too low in some spaces. The purpose of this study was to evaluate the potential work performance benefits of increased ventilation. We analyzed the literature relating work performance with ventilation rate and employed statistical analyses with weighting factors to combine the results of different studies. The studies included in the review assessed performance of various tasks in laboratory experiments and measured performance at work in real buildings. Almost all studies found increases in performance with higher ventilation rates. The studies indicated typically a 1-3% improvement in average performance per 10 l/s-person increase in outdoor air ventilation rate. The performance increase per unit increase in ventilation was bigger with ventilation rates below 20 l/s-person and almost negligible with ventilation rates over 45 l/s-person. The performance increase was statistically significant with increased ventilation rates up to 15 l/s-person with 95% CI and up to 17 l/s-person with 90% CI. C1 Helsinki Univ Technol, Dept Engn Mech, FIN-02015 Helsinki, Finland. Lawrence Berkeley Natl Lab, Indoor Environm Dept, Berkeley, CA USA. RP Seppanen, O (reprint author), Helsinki Univ Technol, Dept Engn Mech, POB 4100, FIN-02015 Helsinki, Finland. EM olli.seppanen@hut.fi NR 14 TC 72 Z9 74 U1 4 U2 31 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0905-6947 J9 INDOOR AIR JI Indoor Air PD FEB PY 2006 VL 16 IS 1 BP 28 EP 36 DI 10.1111/j.1600-0668.2005.00394.x PG 9 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 002YR UT WOS:000234648800006 PM 16420495 ER PT J AU Zhao, HB Tonkyn, RG Barlow, SE Peden, CHF Koel, BE AF Zhao, HB Tonkyn, RG Barlow, SE Peden, CHF Koel, BE TI Fractional factorial study of HCN removal over a 0.5% Pt/Al2O3 catalyst: Effects of temperature, gas flow rate, and reactant partial pressure SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID SURFACE ELEMENTARY STEPS; LIGHTING-OFF TESTS; OXIDATION CATALYSTS; DESIGN; ALUMINA; CO; OPTIMIZATION; PLATINUM; STRATEGIES; PLASMA AB Hydrogen cyanide (HCN) oxidation under lean conditions was studied on 0.5% Pt/Al2O3 catalysts. Fractional factorial design was used to determine which factors had significant effects on HCN conversion in these experiments. We conclude that reaction temperature and gas hourly space velocity (GHSV) had the most significant effects on HCN conversion, whereas no significant effects were caused by the presence of either nitric oxide (NO) or propene (C3H6). Then, a central composite design was used to study the effects of temperature and GHSV on HCN conversion, C3H6 Conversion, and NOx selectivity. On the basis of a second-order polynomial equation model, regression analysis was used to study the significance of each variable and derive equations for each response. This showed that there was a significant interaction between temperature and GHSV in HCN conversion. HCN conversion decreased at larger values of GHSV and increased at higher temperatures, up to a transition temperature that depends on the GHSV value. Temperature and gas hourly space velocity also strongly affect both C3H6 Conversion and NOx selectivity, but in these two cases, there is no significant interaction between temperature and GHSV. Contour plots of HCN conversion, C3H6 conversion, and NOx selectivity versus temperature and GHSV were constructed from an analysis of the measured data, and these plots were then utilized to find optimum values of HCN conversion, C3H6 conversion, and NOx selectivity over the range of conditions investigated. Conditions for optimum catalyst operation, described by high HCN conversion and low NOx selectivity, are reported. C1 Lehigh Univ, Dept Chem, Bethlehem, PA 18015 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Koel, BE (reprint author), Lehigh Univ, Dept Chem, 6 E Packer Ave, Bethlehem, PA 18015 USA. EM brk205@lehigh.edu RI Koel, Bruce/H-3857-2013; OI Koel, Bruce/0000-0002-0032-4991; Peden, Charles/0000-0001-6754-9928 NR 32 TC 11 Z9 13 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD FEB 1 PY 2006 VL 45 IS 3 BP 934 EP 939 DI 10.1021/ie048777e PG 6 WC Engineering, Chemical SC Engineering GA 008CR UT WOS:000235018300007 ER PT J AU Rachman, H Strong, M Ulrichs, T Grode, L Schuchhardt, J Mollenkopf, H Kosmiadi, GA Eisenberg, D Kaufmann, SHE AF Rachman, H Strong, M Ulrichs, T Grode, L Schuchhardt, J Mollenkopf, H Kosmiadi, GA Eisenberg, D Kaufmann, SHE TI Unique transcriptome signature of Mycobacterium tuberculosis in pulmonary tuberculosis SO INFECTION AND IMMUNITY LA English DT Article ID PROTEIN FUNCTION; CELL-DIVISION; MICROARRAY ANALYSIS; ESCHERICHIA-COLI; GENE-EXPRESSION; CALMETTE-GUERIN; INFECTION; LUNG; MACROPHAGES; MECHANISMS AB Although tuberculosis remains a substantial global threat, the mechanisms that enable mycobacterial persistence and replication within the human host are ill defined. This study represents the first genome-wide expression analysis of Mycobacterium tuberculosis from clinical lung samples, which has enabled the identification of M. tuberculosis genes actively expressed during pulmonary tuberculosis. To obtain optimal information from our DNA array analyses, we analyzed the differentially expressed genes within the context of computationally inferred protein networks. Protein networks were constructed using functional linkages established by the Rosetta stone, phylogenetic profile, conserved gene neighbor, and operon computational methods. This combined approach revealed that during pulmonary tuberculosis, M. tuberculosis actively transcribes a number of genes involved in active fortification and evasion from host defense systems. These genes may provide targets for novel intervention strategies. C1 Max Planck Inst Infect Immunol, D-10117 Berlin, Germany. UCLA DOE, Inst Geonom & Proteom, Mol Biol Inst, Howard Hughes Med Inst, Los Angeles, CA USA. MicroDiscovery GmbH, Berlin, Germany. Cent Tuberculosis Res Inst, Dept Immunol 2, Moscow, Russia. Max Planck Inst Infect Biol, Dept Immunol, Berlin, Germany. RP Kaufmann, SHE (reprint author), Max Planck Inst Infect Immunol, Schumannstr 21-22, D-10117 Berlin, Germany. EM kaufmann@mpiib-berlin.mpg.de RI Kaufmann, Stefan HE/I-5454-2014 OI Kaufmann, Stefan HE/0000-0001-9866-8268 FU NIGMS NIH HHS [GM07185, T32 GM007185] NR 41 TC 144 Z9 156 U1 1 U2 9 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0019-9567 J9 INFECT IMMUN JI Infect. Immun. PD FEB PY 2006 VL 74 IS 2 BP 1233 EP 1242 DI 10.1128/IAI.74.2.1223-1242.2006 PG 10 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA 009EC UT WOS:000235093100052 PM 16428773 ER PT J AU Linehan, JC Stiff, CM Fryxell, GE AF Linehan, JC Stiff, CM Fryxell, GE TI A simple determination of alkylsilane monolayer population density SO INORGANIC CHEMISTRY COMMUNICATIONS LA English DT Article DE silane; monolayer; population; NMR ID SELF-ASSEMBLED MONOLAYERS AB Silane population density of a variety of organosilane-based monolayers on silica nanoparticles were determined using solid-state (29)si NMR. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. RP Fryxell, GE (reprint author), Pacific NW Natl Lab, Dept Mat Sci, Mailstop K2-44,POB 999, Richland, WA 99352 USA. EM glen.fryxell@pnl.gov NR 13 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-7003 J9 INORG CHEM COMMUN JI Inorg. Chem. Commun. PD FEB PY 2006 VL 9 IS 2 BP 239 EP 241 DI 10.1016/j.inoche.2005.11.013 PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 011LG UT WOS:000235269100029 ER PT J AU Tang, YJ Zakharov, LN Rheingold, AL Kemp, RA AF Tang, YJ Zakharov, LN Rheingold, AL Kemp, RA TI Two new bulky amido ligands useful for the preparation of metal complexes and examples of their reactivity SO INORGANICA CHIMICA ACTA LA English DT Article DE X-ray crystallography; silylamide; Sn cage; adamantyl substituted ligand ID METALLOCENE POLYMERIZATION CATALYSTS; DIPP = 2,6-I-PR2C6H3; STRUCTURAL-CHARACTERIZATION; ASYMMETRIC CATALYSIS; CARBON-DIOXIDE; METATHETICAL EXCHANGE; CRYSTAL-STRUCTURES; CHIRAL LIGANDS; N BONDS; MAGNESIUM AB The search for new ligands with interesting properties is a quest that can occupy much of a synthetic chemist's time. We have recently discovered two new ligands based on an adamantyl-substituted, 2,6-Pr-i(2)-substituted phenyl (Dipp) system. In an attempt to prepare the extremely bulky amine [(ad)(2,6-(Pr2C6H3)-Pr-i)NH] (ad = adamantyl) we found instead that the adamantyl group attacks the aromatic ring in the 4-position to form a new primary amine, (4-ad-2,6-(Pr2C6H2)-Pr-i)NH2 (1) (ad-Dipp-NH2) characterized by normal techniques. Compound 1 could be converted into a Li salt by a 1: 1 reaction with (BuLi)-Bu-n, or converted into a more bulky silylamine, [(ad-Dipp)NH-(SiMe3)] (3), by treatment with Me3SiCl. We have characterized the lithium salt by X-ray crystallography as the dimeric complex, [(ad-Dipp)NHLi(Et2O)](2) (2). The lithium amide can be used as a reagent towards metal halides, and we have discovered that its reaction with SnCl, yields a compound with a tetrameric, [Sn-N](4) cubane-like cage structure. We have also demonstrated the ligand behavior of 3 by its reaction with Bu2Mg in THF to form a monomeric Mg-amide with two THF solvent molecules attached. These new ligands can provide advantages over conventional ligands in terms of improved solubility and ease of crystallization. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Kemp, RA (reprint author), Univ New Mexico, Dept Chem, MSC03 2060, Albuquerque, NM 87131 USA. EM rakemp@unm.edu NR 45 TC 8 Z9 9 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD FEB 1 PY 2006 VL 359 IS 3 BP 775 EP 781 DI 10.1016/j.ica.2005.04.032 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 009KA UT WOS:000235109400007 ER PT J AU Wan, XF Zhou, J Xu, D AF Wan, XF Zhou, J Xu, D TI CodonO: a new informatics method for measuring synonymous codon usage bias within and across genomes SO INTERNATIONAL JOURNAL OF GENERAL SYSTEMS LA English DT Article DE genomic sequence analysis; synonymous codon usage; codon adaptation index; entropy ID ESCHERICHIA-COLI; TRANSFER-RNAS; SACCHAROMYCES-CEREVISIAE; UNICELLULAR ORGANISMS; BACILLUS-SUBTILIS; RESPECTIVE CODONS; GENE-EXPRESSION; PROTEIN GENES; YEAST; DIVERSITY AB Codon usage bias reveals the silent molecular evolution pattern. Previous research showed the codon usage bias was associated with many biological processes, such as protein expression level, genetic coding error minimization, mRNA stability. codon context, tRNA richness, CpG suppression, DNA methylation, and tissue or organ specificity. In this paper were viewed major methods of codon usage bias measurement. Since most of existing methods are only suitable for the comparison of codon usage bias within a single genome, we introduced a new informatics index, referred to as synonymous codon usage order (SCUO), to measure synonymous codon usage bias within and across genomes. In this method, Shannon informational theory was applied to describe the SCUO of each gene using a value ranging from 0 to 1, with larger values associated with greater codon usage bias. We compared our method with the codon adaptation index (CAI) method for measuring codon bias in Escherichia coli and Sacharomyces cerevisiae. We also studied the correlation between SCUO and CAI, and the relation of SCUO with gene length, gene function. and GC composition. In addition, we explored the correlation between SCUO and m RNA abundance in S. cerevisiae using SAGE expression data. The software package codonO is freely available at http://digbio.niissouri.edu/similar to wanx/cu/codonO/. C1 Univ Missouri, Dept Comp Sci, Digital Biol Lab, Columbia, MO 65211 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Xu, D (reprint author), Univ Missouri, Dept Comp Sci, Digital Biol Lab, 201 Engn Bldg W, Columbia, MO 65211 USA. EM wanx@muohio.edu; zhouj@ornal.gov; xudong@missouri.edu NR 43 TC 6 Z9 6 U1 1 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0308-1079 J9 INT J GEN SYST JI Int. J. Gen. Syst. PD FEB PY 2006 VL 35 IS 1 BP 109 EP 125 DI 10.1080/0308107050050296 PG 17 WC Computer Science, Theory & Methods; Ergonomics SC Computer Science; Engineering GA 030AQ UT WOS:000236605900007 ER PT J AU Papanicolaou, A Maxwell, AR AF Papanicolaou, A Maxwell, AR TI Methodological considerations for studying self-weight fluidization in a sedimentation column SO INTERNATIONAL JOURNAL OF MINERAL PROCESSING LA English DT Article DE self-weight fluidization; batch sedimentation; mixing; channelling; modeling; kaolinite ID BATCH SEDIMENTATION; SUSPENSIONS; SYSTEMS; COMPRESSION; PARTICLES; VOLUMES; KAOLIN AB Traditionally, the onset of fluidization has been examined in the laboratory by observing the formation of inflection points atop the descending mudline interface of a batch test. Recent preliminary experiments question the efficacy of inflection points for indicating the occurrence of fluidization. The utility of the mudline interface to uniquely identify the occurrence of fluidization is examined here. Alternative ways via laboratory and computational tools are employed to describe the temporal and spatial characteristics of fluidization. Detailed controlled experiments are performed for a pure kaolinite-water mixture under different initial concentrations and initial suspension heights. The experimental work is complemented with the use of an existing 1-D batch sedimentation model that accounts for the upward propagation of fluid and provides the variation of the mudline interface with time. Analysis of the experimental results shows that the onset of self-weight fluidization occurs in the early stages of a test, and not within the second falling rate region as other researchers have reported. Formation and upward propagation of fluidization pipes, typically with a diameter of 0.5-5 mm, are recorded. The numerical results further validate the experimental observations that self-weight fluidization cannot be always detected by observing the mudline interface. These findings agree with other results reported in the literature. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Iowa, Dept Civil & Environm Engn, IIHR Hydrosci & Engn, Iowa City, IA 52242 USA. Pacific NW Natl Lab, Sequim, WA 98383 USA. RP Papanicolaou, A (reprint author), Univ Iowa, Dept Civil & Environm Engn, IIHR Hydrosci & Engn, Iowa City, IA 52242 USA. EM apapanic@engineering.uiowa.edu; adam.maxwell@pnl.gov NR 36 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-7516 J9 INT J MINER PROCESS JI Int. J. Miner. Process. PD FEB PY 2006 VL 78 IS 3 BP 140 EP 152 DI 10.1016/j.minpro.2005.10.002 PG 13 WC Engineering, Chemical; Mineralogy; Mining & Mineral Processing SC Engineering; Mineralogy; Mining & Mineral Processing GA 011KZ UT WOS:000235268400002 ER PT J AU Zotev, VS AF Zotev, VS TI Comment on "New methods for old Coulomb few-body problems" SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Editorial Material DE nonadiabatic variational calculations; 4-body problem; exponential basis; exponential-trigonometric basis; positronium molecule ID BOUND-STATE CALCULATIONS; ANALYTIC EVALUATION; 4-BODY SYSTEMS; HIGH-PRECISION; WAVE-FUNCTIONS; INTEGRALS AB In this Comment on the above-mentioned paper by F. E. Harris, A. M. Frolov, and V. H. Smith, we briefly review our contributions to development of new methods for solution of the Coulomb four-body problem. We show that our research group, headed by Professor T. K. Rebane, had a priority in using the fully correlated exponential basis for variational calculations of four-body systems. We also draw attention to the fact that our group subsequently implemented a more advanced method, which uses highly efficient exponential-trigonometric basis functions for solution of the same problem. (C) 2005 Wiley Periodicals, Inc. C1 Los Alamos Natl Lab, Biophys Grp, Los Alamos, NM 87545 USA. RP Zotev, VS (reprint author), Los Alamos Natl Lab, Biophys Grp, MS D454, Los Alamos, NM 87545 USA. NR 23 TC 1 Z9 1 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0020-7608 EI 1097-461X J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD FEB PY 2006 VL 106 IS 2 BP 550 EP 551 DI 10.1002/qua.20764 PG 2 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 992YC UT WOS:000233918900020 ER PT J AU Wos, L AF Wos, L TI Milestones for automated reasoning with OTTER SO INTERNATIONAL JOURNAL ON ARTIFICIAL INTELLIGENCE TOOLS LA English DT Article; Proceedings Paper CT Workshop on Empirically Successful First Order Reasoning (ESFOR) CY 2004 CL Cork, IRELAND DE automated reasoning; OTTER; strategy ID SINGLE AXIOM; STRATEGY AB In the beginning (the early 1960s), the long-term goal of automated reasoning (although the field at the time was not known by that name) was the design and implementation of a program whose use would lead to "real" and significant contributions to mathematics by offering sufficient power for the discovery of proofs. The realization of that goal appeared to be at least six decades in the future. However, with amazement and satisfaction, we can report that fewer than four decades were required. In this article, we present evidence for this claim, thanks to W. McCune's program OTTER. Our focus is on various landmarks, or milestones, of two types. One type concerns the formulation of new strategies and methodologies whose use greatly enhances the power of a reasoning program. A second type focuses on actual contributions to mathematics and (although not initially envisioned) to logic. We give examples of each type of milestone, and, perhaps of equal importance, demonstrate that advances are far more likely to occur if the two classes are closely intertwined. We draw heavily on material presented in great detail in the new book Automated Reasoning and the Discovery of Missing and Elegant Proofs, published by Rinton Press. C1 Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Wos, L (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM wos@mcs.anl.gov NR 22 TC 2 Z9 2 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-2130 J9 INT J ARTIF INTELL T JI Int. J. Artif. Intell. Tools PD FEB PY 2006 VL 15 IS 1 BP 3 EP 19 DI 10.1142/S0218213006002540 PG 17 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications SC Computer Science GA 008UO UT WOS:000235066400002 ER PT J AU Nakano, A Kozawa, T Tagawa, S Szreder, T Wishart, JF Kai, T Shimokawa, T AF Nakano, A Kozawa, T Tagawa, S Szreder, T Wishart, JF Kai, T Shimokawa, T TI Reactivity of acid generators for chemically amplified resists with low-energy electrons SO JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS LA English DT Article DE acid generator; reactivity; chemically amplified resist; electron beam lithography; EUV lithography ID SOLVATED ELECTRON; BEAM RESIST; PULSE-RADIOLYSIS; X-RAY; LITHOGRAPHY; PHOTOCHEMISTRY; AMPLIFICATION; SPECTRUM; SALTS; TETRAHYDROFURAN AB In chemically amplified resists for ionizing radiations such as electron beams and extreme ultraviolet (EUV), low-energy electrons play an important role in the pattern formation processes. The reactivity of acid generators with low-energy electrons was evaluated using solvated electrons in tetrahydrofuran, which were generated by a pulsed electron beam. The rate constants of acid generators with the solvated electrons ranged from 0.6 to 1.9 x 10(11) M-1 s(-1). C1 Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. JSR Corp, Yokaichi, Mie 5108552, Japan. RP Nakano, A (reprint author), Osaka Univ, Inst Sci & Ind Res, 8-1 Mihogaoka, Osaka 5670047, Japan. EM kozawa@sanken.osaka-u.ac.jp; tagawa@sanken.osaka-u.ac.jp RI Tagawa, Seiichi/B-8078-2010; Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 32 TC 48 Z9 48 U1 0 U2 1 PU INST PURE APPLIED PHYSICS PI TOKYO PA 5F YUSHIMA BLDG, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0021-4922 J9 JPN J APPL PHYS 2 JI Jpn. J. Appl. Phys. Part 2 - Lett. Express Lett. PD FEB PY 2006 VL 45 IS 4-7 BP L197 EP L200 DI 10.1143/JJAP.45.L197 PG 4 WC Physics, Applied SC Physics GA 020IT UT WOS:000235902900029 ER PT J AU Chandra, D Reilly, JJ Chellappa, R AF Chandra, D Reilly, JJ Chellappa, R TI Metal hydrides for vehicular applications: The state of the art SO JOM LA English DT Article ID REVERSIBLE HYDROGEN STORAGE; SODIUM ALUMINUM-HYDRIDE; X-RAY-DIFFRACTION; NEUTRON-DIFFRACTION; CATALYZED ALANATES; CRYSTAL-STRUCTURE; DECOMPOSITION; NAALH4; LIALH4; STABILITY AB Recent developments in light metal complex hydrides show that there is a potential for hydrogen storage using these hydrides in fuel cells for on-board vehicular and other applications. The search for new alloys promises to have practical significance with the realization that hydrogen as a fuel holds the key to filling energy needs and solving environmental problems. This review presents the U.S. Department of Energy FreedomCAR goals for hydrogen storage, storage capacities of important hydrides, and current developments in light-metal complex hydrides. C1 Univ Nevada, Dept Chem & Met Engn, Reno, NV 89557 USA. Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. RP Chandra, D (reprint author), Univ Nevada, Dept Chem & Met Engn, MS 388, Reno, NV 89557 USA. EM dchandra@unr.edu NR 62 TC 64 Z9 64 U1 1 U2 18 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD FEB PY 2006 VL 58 IS 2 BP 26 EP 32 DI 10.1007/s11837-006-0005-0 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 012CE UT WOS:000235315000004 ER PT J AU Yi, JM Chu, YS Argunova, TS Je, JH AF Yi, JM Chu, YS Argunova, TS Je, JH TI Analytic determination of the three-dimensional distribution of dislocations using synchrotron X-ray topography SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID DIFFRACTION MICRORADIOGRAPHY; CRYSTALS AB A technique, using a symmetric reflection via azimuthal rotation of a sample, is presented for characterization of the three-dimensional distribution of dislocations in single crystals. An analytic formula is derived to transform the three-dimensional geometry of a straight dislocation into its two-dimensional projection onto the detector plane. By fitting topographs to the formula, the orientations and locations of dislocations are quantitatively determined. The dislocations in a thermally stressed Si wafer are examined as an example. C1 POSTECH, Dept Mat Sci & Engn, Pohang 790784, South Korea. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RAS, AF Ioffe Physicotech Inst, St Petersburg, Russia. RP Je, JH (reprint author), POSTECH, Dept Mat Sci & Engn, Pohang 790784, South Korea. EM jhje@postech.ac.kr NR 10 TC 3 Z9 3 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD FEB PY 2006 VL 39 BP 106 EP 108 DI 10.1107/S0021889805038719 PN 1 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 003KA UT WOS:000234679400017 ER PT J AU Zhang, Z Sauter, NK van den Bedem, H Snell, G Deacon, AM AF Zhang, Z Sauter, NK van den Bedem, H Snell, G Deacon, AM TI Automated diffraction image analysis and spot searching for high-throughput crystal screening SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Software Review ID DATA-COLLECTION; STRUCTURAL GENOMICS; SYSTEM; CRYSTALLOGRAPHY AB A new software package, DISTL (Diffraction Image Screening Tool and Library), for the rapid analysis of X-ray diffraction patterns collected from macromolecular crystals is presented. Within seconds, the program characterizes the strength and quality of the Bragg spots, determines the limiting resolution of the image, and identifies deleterious features such as ice-rings and intense salt reflections. The procedure also generates a reliable set of intense peaks for auto-indexing. The ability to classify a large number of crystals quickly will be especially useful at synchrotron and home-laboratory X-ray sources where automated crystal screening and data collection systems have been implemented. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Univ Chicago, CISES, Chicago, IL 60637 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Syrrx Inc, San Diego, CA 92121 USA. RP Deacon, AM (reprint author), Stanford Synchrotron Radiat Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM adeacon@slac.stanford.edu RI Sauter, Nicholas/K-3430-2012; OI van den Bedem, Henry/0000-0003-2358-841X NR 14 TC 65 Z9 65 U1 3 U2 7 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD FEB PY 2006 VL 39 BP 112 EP 119 DI 10.1107/S0021889805040677 PN 1 PG 8 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 003KA UT WOS:000234679400019 ER PT J AU Groves, MN Singh, MA Beydaghyan, G Muller, MS Sheridan, E Schneider, DK AF Groves, MN Singh, MA Beydaghyan, G Muller, MS Sheridan, E Schneider, DK TI Design and implementation of a simple and inexpensive GISAXS sample chamber SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY-SCATTERING; THIN-FILMS; NANOCRYSTALS AB An in situ sample chamber designed for synchrotron grazing-incidence small-angle X-ray scattering measurements of polymer film microstructure as a function of temperature is described. The chamber operates in a He environment and can be used to perform thermal quenching measurements for time-dependent monitoring of phase transformation kinetics. Preliminary data on a symmetric styrene-butadiene polymer are presented. C1 Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. 463 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Singh, MA (reprint author), Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. EM marsha@physics.queensu.ca NR 13 TC 1 Z9 1 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD FEB PY 2006 VL 39 BP 120 EP 123 DI 10.1107/S0021889805041051 PN 1 PG 4 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 003KA UT WOS:000234679400020 ER PT J AU Von Dreele, RB AF Von Dreele, RB TI A rapidly filled capillary mount for both dry powder and polycrystalline slurry samples SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID IN-SITU; DIFFRACTION; CELL AB A method of rapid capillary sample loading of either dry powder or polycrystalline slurry has been developed. By embedding a Millipore filter in a Kapton capillary tube, one can then draw either loose dry powder or polycrystalline slurry into the tube and pack the solid against the filter, creating a dense column of powder suitable for a Debye-Scherrer powder diffraction experiment. C1 Argonne Natl Lab, IPNS, APS, Argonne, IL 60439 USA. RP Von Dreele, RB (reprint author), Argonne Natl Lab, IPNS, APS, Argonne, IL 60439 USA. EM vondreele@anl.gov NR 7 TC 11 Z9 11 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD FEB PY 2006 VL 39 BP 124 EP 126 DI 10.1107/S002188980503284X PN 1 PG 3 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 003KA UT WOS:000234679400021 ER PT J AU Chasteen, SV Harter, JO Rumbles, G Scott, JC Nakazawa, Y Jones, M Horhold, HH Tillman, H Carter, SA AF Chasteen, SV Harter, JO Rumbles, G Scott, JC Nakazawa, Y Jones, M Horhold, HH Tillman, H Carter, SA TI Comparison of blended versus layered structures for poly(p-phenylene vinylene)-based polymer photovoltaics SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TIME-RESOLVED PHOTOLUMINESCENCE; DONOR-ACCEPTOR HETEROJUNCTIONS; CONJUGATED POLYMER; SOLAR-CELLS; PPV DERIVATIVES; MEH-PPV; DEVICES; FILMS; LUMINESCENCE; PHOTODIODES AB We characterize and compare blended and bilayered heterojunctions of polymer photovoltaic devices using poly[oxa-1,4-phenylene-1,2-(1-cyano)-ethenylene-2,5-dioctyloxy-1,4-phenylene-1,2-(2-cyano)-ethenylene-1,4-phenylene] (CN-ether-PPV) and poly[2,5-dimethoxy-1,4-phenylene-1,2-ethenylene-2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylene-1,2-ethenylene] (M3EH-PPV) as electron- and hole-transporting polymers, respectively. We find that both blended and bilayered structures have substantially improved current densities (>3 mA/cm(2)) and power efficiencies (similar to 1% under white light) over neat films. Improved exciton dissociation at multiple interfaces and reduced recombination due to energy and charge transfers increases the charge-carrier collection in both types of heterojunction devices, but low electron mobilities in the polymers lead to low fill factors and reduced quantum efficiency (similar to 20%) that limit the power efficiency. Time-resolved photoluminescence reveals that for blended structures both the hole and electron-transporting polymers undergo efficient quenching with the exciton decay being dominated by the existence of two fast decay channels of 0.12 and 0.78 ns that are assigned to interspecies charge transfer and account for the increased short-circuit current observed. For layers, these components are not as prevalent. This result indicates that greater exciton generation at the dissociating interface and more efficient charge collection in the thin layers is primarily responsible for the improved short-circuit current, a conclusion that is further supported by numerical simulations of the exciton generation rate and charge collection. We also report evidence for an intermediate exciplex state in both types of structures with the greatest yield for blends with 50 wt % of CN-ether-PPV. Overall, the improved performance is due to different processes in the two structures; efficient bulk exciton quenching and charge transfer in blends and enhanced exciton generation and charge collection in layers. The optimization of each photovoltaic heterostructured device relies on this understanding of the mechanisms by which each material architecture achieves high power efficiencies. (c) 2006 American Institute of Physics. C1 Univ Calif Santa Cruz, Dept Phys, ISB, Santa Cruz, CA 95064 USA. Ctr Basic Ctr, Natl Renewable Energy Lab, Golden, CO 80401 USA. IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. Univ Jena, Inst Organ Chem & Makromol, D-6900 Jena, Germany. RP Chasteen, SV (reprint author), Univ Calif Santa Cruz, Dept Phys, ISB, Santa Cruz, CA 95064 USA. EM stephanie@physics.ucsc.edu; sacarter@cats.ucsc.edu RI Jones, Marcus/B-3291-2008; Haerter, Jan/I-4410-2012 OI Jones, Marcus/0000-0001-9912-1168; NR 45 TC 26 Z9 26 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 1 PY 2006 VL 99 IS 3 AR 033709 DI 10.1063/1.2168046 PG 10 WC Physics, Applied SC Physics GA 012LP UT WOS:000235341000040 ER PT J AU Chen, W Zhang, J Westcott, SL Joly, AG Malm, JO Bovin, JO AF Chen, W Zhang, J Westcott, SL Joly, AG Malm, JO Bovin, JO TI The origin of x-ray luminescence from CdTe nanoparticles in CdTe/BaFBr : Eu2+ nanocomposite phosphors SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID NANOCRYSTALS; SCINTILLATOR; DETECTORS AB X-ray luminescence from CdTe nanoparticles is observed when CdTe nanoparticles are encapsulated into BaFBr:Eu2+ phosphors. In contrast, negligible x-ray luminescence is observed from the unencapsulated nanoparticles, either in solution or in solid form. The origin of the x-ray luminescence is attributed to the effective energy transfer from Eu2+ ions to CdTe nanoparticles in the nanocomposite materials. The x-ray luminescence of these nanocomposites is dose dependent and the emission wavelength is size adjustable which may allow use as a type of dosimeter for both in vitro and in vivo applications. (c) 2006 American Institute of Physics. C1 Nomad Inc, Stillwater, OK 74074 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Lund Univ, Ctr Chem & Chem Engn, SE-22100 Lund, Sweden. RP Chen, W (reprint author), Nomad Inc, 1024 S Innovat Way, Stillwater, OK 74074 USA. EM wchen@nomadics.com NR 20 TC 13 Z9 13 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 1 PY 2006 VL 99 IS 3 AR 034302 DI 10.1063/1.2168234 PG 5 WC Physics, Applied SC Physics GA 012LP UT WOS:000235341000061 ER EF