FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Jiang, CL Esbensen, H Rehm, KE Back, BB Janssens, RVF Caggiano, JA Collon, P Greene, J Heinz, AM Henderson, DJ Nishinaka, I Pennington, TO Seweryniak, D AF Jiang, CL Esbensen, H Rehm, KE Back, BB Janssens, RVF Caggiano, JA Collon, P Greene, J Heinz, AM Henderson, DJ Nishinaka, I Pennington, TO Seweryniak, D TI Unexpected behavior of heavy-ion fusion cross sections at extreme sub-barrier energies SO PHYSICAL REVIEW LETTERS LA English DT Article ID FRAGMENT MASS ANALYZER; ANGULAR-MOMENTUM; FISSION; DISTRIBUTIONS; SYSTEMS AB The excitation function for fusion evaporation in the Ni-60+ Y-89 system was measured over a range in cross section covering 6 orders of magnitude. The cross section exhibits an abrupt decrease at extreme sub-barrier energies. This behavior, which is also present in a few other systems found in the literature, cannot be reproduced with present models, including those based on a coupled-channels approach. Possible causes are discussed, including a dependence on the intrinsic structure of the participants. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Jiang, CL (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Heinz, Andreas/E-3191-2014 NR 26 TC 165 Z9 166 U1 0 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 JUL 29 PY 2002 VL 89 IS 5 AR 052701 DI 10.1103/PhysRevLett.89.052701 PG 4 WC Physics, Multidisciplinary SC Physics GA 574UG UT WOS:000176907500011 PM 12144438 ER PT J AU Tojo, J Alekseev, I Bai, M Bassalleck, B Bunce, G Deshpande, A Doskow, J Eilerts, S Fields, DE Goto, Y Huang, H Hughes, V Imai, K Ishihara, M Kanavets, V Kurita, K Kwiatkowski, K Lewis, B Lozowski, W Makdisi, Y Meyer, HO Morozov, BV Nakamura, M Przewoski, B Rinckel, T Roser, T Rusek, A Saito, N Smith, B Svirida, D Syphers, M Taketani, A Thomas, TL Underwood, D Wolfe, D Yamamoto, K Zhu, L AF Tojo, J Alekseev, I Bai, M Bassalleck, B Bunce, G Deshpande, A Doskow, J Eilerts, S Fields, DE Goto, Y Huang, H Hughes, V Imai, K Ishihara, M Kanavets, V Kurita, K Kwiatkowski, K Lewis, B Lozowski, W Makdisi, Y Meyer, HO Morozov, BV Nakamura, M Przewoski, B Rinckel, T Roser, T Rusek, A Saito, N Smith, B Svirida, D Syphers, M Taketani, A Thomas, TL Underwood, D Wolfe, D Yamamoto, K Zhu, L TI Measurement of analyzing power for proton-carbon elastic scattering in the Coulomb-nuclear interference region with a 22-GeV/c polarized proton beam SO PHYSICAL REVIEW LETTERS LA English DT Article AB The analyzing power for proton-carbon elastic scattering in the Coulomb-nuclear interference region of momentum transfer, 9.0x10(-3)<-t<4.1x10(-2) (GeV/c)(2), was measured with a 21.7 GeV/c polarized proton beam at the Alternating Gradient Synchrotron of Brookhaven National Laboratory. The ratio of hadronic spin-flip to nonflip amplitude, r(5), was obtained from the analyzing power to be Rer(5)=0.088+/-0.058 and Imr(5)=-0.161+/-0.226. C1 RIKEN, Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. Inst Theoret & Expt Phys, Moscow 117259, Russia. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. RIKEN BNL Res Ctr, Upton, NY 11973 USA. Indiana Univ, Cyclotron Facil, Bloomington, IN 47405 USA. Yale Univ, Dept Phys, New Haven, CT 06511 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Tojo, J (reprint author), RIKEN, Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. RI Svirida, Dmitry/R-4909-2016; Taketani, Atsushi/E-1803-2017 OI Taketani, Atsushi/0000-0002-4776-2315 NR 17 TC 55 Z9 56 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 JUL 29 PY 2002 VL 89 IS 5 AR 052302 DI 10.1103/PhysRevLett.89.052302 PG 4 WC Physics, Multidisciplinary SC Physics GA 574UG UT WOS:000176907500008 PM 12144435 ER PT J AU Whyte, DG Jernigan, TC Humphreys, DA Hyatt, AW Lasnier, CJ Parks, PB Evans, TE Rosenbluth, MN Taylor, PL Kellman, AG Gray, DS Hollmann, EM Combs, SK AF Whyte, DG Jernigan, TC Humphreys, DA Hyatt, AW Lasnier, CJ Parks, PB Evans, TE Rosenbluth, MN Taylor, PL Kellman, AG Gray, DS Hollmann, EM Combs, SK TI Mitigation of tokamak disruptions using high-pressure gas injection SO PHYSICAL REVIEW LETTERS LA English DT Article ID RUNAWAY ELECTRONS; DIII-D; AVALANCHE; PELLET; QUENCH; PLASMA AB High-pressure gas-jet injection of neon and argon is shown to be a simple and robust method to mitigate the deleterious effects of disruptions on the DIII-D tokamak. The gas jet penetrates to the central plasma at its sonic velocity. The deposited species dissipates >95% of the plasma by radiation and substantially reduces mechanical stresses on the vessel caused by poloidal halo currents. The gas-jet species-charge distribution can include >50% fraction neutral species which inhibits runaway electrons. The favorable scaling of this technique to burning fusion plasmas is discussed. C1 Univ Calif San Diego, San Diego, CA 92103 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Gen Atom Co, San Diego, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Whyte, DG (reprint author), Univ Calif San Diego, San Diego, CA 92103 USA. NR 10 TC 94 Z9 95 U1 1 U2 8 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 JUL 29 PY 2002 VL 89 IS 5 AR 055001 DI 10.1103/PhysRevLett.89.055001 PG 4 WC Physics, Multidisciplinary SC Physics GA 574UG UT WOS:000176907500019 PM 12144446 ER PT J AU Meneses, GD Clark, REH Abdallah, J Csanak, G AF Meneses, GD Clark, REH Abdallah, J Csanak, G TI Cross sections for the excitation of 3s, 3p, 3d, 4p, and 4s manifolds in e-Ne collisions SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID ELECTRON-IMPACT-EXCITATION; MANY-BODY THEORY; STATES; PARAMETERS; SCATTERING; ENERGIES; GASES; ARGON AB Theoretical differential and integral cross sections are reported for inelastic scattering of electrons by neon atoms for incident electron energies in the range of 20-100 eV. Transitions from the ground state to forty states associated with the 3s, 3p, 3d, 4s, and 4p manifolds were considered. The methods employed were the distorted wave approximation and first-order many-body theory, where the distorting potential includes the static-exchange potential. A comparison of our results with experimental data and other theoretical results are shown and discussed. C1 UNICAMP, Inst Fis Gleb Wataghin, BR-13081 Campinas, Brazil. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Meneses, GD (reprint author), UNICAMP, Inst Fis Gleb Wataghin, CP 6165, BR-13081 Campinas, Brazil. RI Inst. of Physics, Gleb Wataghin/A-9780-2017 NR 29 TC 8 Z9 8 U1 0 U2 0 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 JUL 28 PY 2002 VL 35 IS 14 BP 3119 EP 3136 AR PII S0953-4075(02)32352-6 DI 10.1088/0953-4075/35/14/309 PG 18 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 585EV UT WOS:000177512400012 ER PT J AU Wang, JG Turner, AR Cooper, DL Schultz, DR Rakovic, MJ Fritsch, W Stancil, PC Zygelman, B AF Wang, JG Turner, AR Cooper, DL Schultz, DR Rakovic, MJ Fritsch, W Stancil, PC Zygelman, B TI Electron capture in collisions of S4+ with helium SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; CHARGE-TRANSFER; CROSS-SECTIONS; ATOMIC-HYDROGEN; ION IMPACT; SINGLE; SPECTROSCOPY; EXCITATION; IONIZATION AB Charge transfer due to collisions of ground-state S4+(3s(2) S-1) ions with helium is investigated for energies between 0.1 meV u(-1) and 10 MeV u(-1). Total and state-selective single electron capture (SEC) cross sections and rate coefficients are obtained utilizing the quantum mechanical molecular-orbital close-coupling (MOCC), atomic-orbital close-coupling (AOCC), classical trajectory Monte Carlo (CTMC) and continuum distorted wave methods. The MOCC calculations utilize ab initio adiabatic potentials and nonadiabatic radial coupling matrix elements obtained with the spin-coupled valence-bond approach. Previous data are limited to a calculation of the total SEC rate coefficient using the Landau-Zener model that is, in comparison to the results presented here, three orders of magnitude smaller. The MOCC SEC cross sections at low energy reveal a multichannel interference effect. True double capture is also investigated with the AOCC and CTMC approaches while autoionizing double capture and transfer ionization (TI) is explored with CTMC. SEC is found to be the dominant process except for E > 200 keV u(-1) when TI becomes the primary capture channel. Astrophysical implications are briefly discussed. C1 Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Hahn Meitner Inst Berlin GmbH, Theoret Phys Abt, D-14109 Berlin, Germany. Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. RP Wang, JG (reprint author), Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. RI Fritsch, Wolfgang/B-3412-2009 NR 39 TC 15 Z9 15 U1 0 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 JUL 28 PY 2002 VL 35 IS 14 BP 3137 EP 3156 AR PII S0953-4075(02)33037-2 DI 10.1088/0953-4075/35/14/310 PG 20 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 585EV UT WOS:000177512400013 ER PT J AU McBreen, J AF McBreen, J TI Special issue - X-rays in electrochemistry SO ELECTROCHIMICA ACTA LA English DT Editorial Material C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP McBreen, J (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. NR 0 TC 5 Z9 5 U1 1 U2 4 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 JUL 27 PY 2002 VL 47 IS 19 BP 3035 EP 3035 AR PII S0013-4686(02)00222-0 DI 10.1016/S0013-4686(02)00222-0 PG 1 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600001 ER PT J AU Nagy, Z You, H AF Nagy, Z You, H TI Applications of surface X-ray scattering to electrochemistry problems SO ELECTROCHIMICA ACTA LA English DT Article DE X-ray scattering; platinum oxidation; copper passivation; ruthenium dioxide electrode; single crystal electrode ID TRANSMISSION GEOMETRY; POROUS SILICON; ELECTRODE SURFACES; CELL DESIGN; REFLECTIVITY; INTERFACES; OXIDATION; INSITU; WATER; MONOLAYER AB Applications of the synchrotron X-ray scattering technique to electrochemistry problems are briefly reviewed ranging from submonolayer level phenomena, through nanometer size phenomena, to submicron size phenomena; that is, covering the full range of the 'interphase' at an electrode surface. The examples include, (i) incipient oxidation/reduction of platinum single crystal surfaces; (ii) submonolayer/monolayer level oxidation/reduction of ruthenium dioxide single crystal surfaces; (iii) copper passivation/ depassivation; and (iv) anodic formation of porous silicon and silicon dioxide layers. The design of several X-ray/electrochemical cells is also described. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP You, H (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI You, Hoydoo/A-6201-2011 OI You, Hoydoo/0000-0003-2996-9483 NR 31 TC 87 Z9 88 U1 1 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 27 PY 2002 VL 47 IS 19 BP 3037 EP 3055 AR PII S0013-4686(02)00223-2 DI 10.1016/S0013-4686(02)00223-2 PG 19 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600002 ER PT J AU DeVilbiss, JE Wang, JX Ocko, BM Tamura, K Adzic, RR Vartanyants, IA Robinson, IK AF DeVilbiss, JE Wang, JX Ocko, BM Tamura, K Adzic, RR Vartanyants, IA Robinson, IK TI Time response of the thin layer electrochemical cell used for in situ X-ray diffraction SO ELECTROCHIMICA ACTA LA English DT Article DE phase transition; thin layer cell; surface ordering; time response; diffusion equation ID ADSORPTION; SURFACE; CRYSTAL; BROMIDE AB As the potential applied to the bromide on Ag(001) thin layer electrochemical cell increases past a critical level, the bromide adlayer undergoes a second order phase transition from a disordered state to an ordered state. Using surface X-ray diffraction we measured the time response of this phase transition due to an applied step potential. We find that the time response of the phase transition is limited by the properties of the thin layer geometry. By modeling the electrochemical cell as a RC circuit, we argue that the observed time delay is primarily due to the slow diffusion of charge into the central region of the electrode surface. Crown Copyright (C) 2002 Published by Elsevier Science Ltd. All rights reserved. C1 Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Brookhaven Natl Lab, Energy Sci & Technol Dept, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP DeVilbiss, JE (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. RI Wang, Jia/B-6346-2011 NR 14 TC 8 Z9 8 U1 1 U2 7 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 JUL 27 PY 2002 VL 47 IS 19 BP 3057 EP 3064 AR PII S0013-4686(02)00224-4 DI 10.1016/S0013-4686(02)00224-4 PG 8 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600003 ER PT J AU Virtanen, S Schmuki, P Isaacs, HS AF Virtanen, S Schmuki, P Isaacs, HS TI In situ X-ray absorption near edge structure studies of mechanisms of passivity SO ELECTROCHIMICA ACTA LA English DT Article DE X-ray absorption near edge structure; passivity; passive films; Fe-Cr; corrosion ID ELECTROCHEMICAL-BEHAVIOR; CONVERSION COATINGS; CATHODIC REDUCTION; OXIDE-FILMS; XANES; IRON; SPECTROSCOPY; CHROMATE; DISSOLUTION; CHROMIUM AB The goal of this paper is to illustrate how in situ X-ray absorption near edge structure (XANES) investigations can give a more detailed understanding of the function of various parameters on the mechanisms of passivity. In situ XANES has been used to monitor changes in oxidation state under electrochemical control that lead to a solid-state conversion or dissolution of metal or oxide. Recent studies on native and artificial passive films-mainly Fe, Cr and Fe-Cr alloys, are employed for this purpose. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 ETH Honggerberg, Swiss Fed Inst Technol, Inst Mat Chem & Corros, CH-8093 Zurich, Switzerland. ETH Honggerberg, Swiss Fed Inst Technol, Dept Mat, CH-8093 Zurich, Switzerland. Univ Erlangen Nurnberg, LKO, Dept Mat Sci, Chair Surface Sci & Corros, D-91058 Erlangen, Germany. Brookhaven Natl Lab, Div Mat Sci, Energy Sci & Technol Dept, Upton, NY 11973 USA. RP Virtanen, S (reprint author), ETH Honggerberg, Swiss Fed Inst Technol, Inst Mat Chem & Corros, CH-8093 Zurich, Switzerland. RI Virtanen, Sannakaisa/N-3699-2015 OI Virtanen, Sannakaisa/0000-0002-7179-7593 NR 41 TC 12 Z9 12 U1 1 U2 9 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 JUL 27 PY 2002 VL 47 IS 19 BP 3117 EP 3125 AR PII S0013-4686(02)00230-X DI 10.1016/S0013-4686(02)00230-X PG 9 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600009 ER PT J AU Isaacs, HS Virtanen, S Ryan, MP Schmuki, P Oblonsky, LJ AF Isaacs, HS Virtanen, S Ryan, MP Schmuki, P Oblonsky, LJ TI Incorporation of Cr in the passive film on Fe from chromate solutions SO ELECTROCHIMICA ACTA LA English DT Article DE X-ray absorption spectroscopy; iron passivity; chromium species; chromate inhibitor; chromate adsorption ID X-RAY ABSORPTION; ALUMINUM; OXIDES AB The uptake of Cr species from chromate solutions by Fe has been studied using X-ray absorption near edge structure (XANES). The objective of the investigation was to compare XANES with radioactive tracer techniques used by Brasher et al. Cr(III) was detected on the passive iron surface. The amount of Cr(III) was increased by cathodic polarization and decreased by anodic polarization. This demonstrated that the uptake of Cr(III) was the result of cathodic processes and was not a direct result of the growth of the passive oxide film. Cr(VI) was only found after Fe was exposed to a saturated dichromate solutions for extended periods indicating that Cr(VI) was not strongly absorbed on the passive film. (C) 2002 Published by Elsevier Science Ltd. C1 Brookhaven Natl Lab, Div Mat Sci, Upton, NY 11973 USA. ETH Honggerberg, Swiss Fed Inst Technol, Dept Mat, CH-8093 Zurich, Switzerland. ETH Honggerberg, Swiss Fed Inst Technol, Inst Mat Chem & Corros, CH-8093 Zurich, Switzerland. Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England. Univ Erlangen Nurnberg, LKO, Dept Mat Sci, D-91058 Erlangen, Germany. DuPont Technol, Microcircuit Mat, Res Triangle Pk, NC 27709 USA. RP Isaacs, HS (reprint author), Brookhaven Natl Lab, Div Mat Sci, Bldg 480 POB 5000, Upton, NY 11973 USA. NR 15 TC 17 Z9 17 U1 0 U2 6 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 JUL 27 PY 2002 VL 47 IS 19 BP 3127 EP 3130 AR PII S0013-4686(02)00231-1 DI 10.1016/S0013-4686(02)00231-1 PG 4 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600010 ER PT J AU Mansour, AN Smith, PH Baker, WM Balasubramanian, M McBreen, J AF Mansour, AN Smith, PH Baker, WM Balasubramanian, M McBreen, J TI In situ XAS investigation of the oxidation state and local structure of vanadium in discharged and charged V2O5 aerogel cathodes SO ELECTROCHIMICA ACTA LA English DT Article DE X-ray absorption spectroscopy; vanadium pentoxide aerogels; lithium intercalation; oxidation state; local structure ID X-RAY-ABSORPTION; ELECTROCHEMICAL LITHIUM INTERCALATION; K-EDGE; XEROGEL; DIFFRACTION; BATTERIES; SPECTRA; FILMS; OXIDE; TRANSFORMATION AB We have examined the evolution of the oxidation state and atomic structure of vanadium(V) in discharged and charged nanophase vanadium pentoxide (V2O5) aerogel cathodes under in situ conditions using X-ray absorption spectroscopy (XAS). We show that the oxidation state of V in V2O5 aerogel cathode heated under vacuum (100 muTorr) at 220 degreesC for 20.5 h is similar to that of V in a commercially obtained sample of orthorhombic V2O5. In addition, lithium (Li) insertion during the first cycle of discharging leads to the reduction of V(V) to V(IV) and V(IV) to V(III) in a manner consistent with the stoichiometry of the sample (i.e. LixV2O5). Li extraction during charging leads to oxidation of V(III) to V(IV) and then V(IV) to V(V). Furthermore, the oxidation state of V in fully charged cathodes remains unchanged with cycling (upto at least the 16th cycle) from that of V in the control V2O5 aerogel cathode. However, the average oxidation state of V in discharged V2O5 cathodes increased with cycling. Moreover, the local structure of V in the discharged state has a higher degree of symmetry than that of the fully charged state. A significant change in the structure of the V-V correlation of discharged cathodes is observed with cycling indicating the formation of electrochemically irreversible phases. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 USN, Ctr Surface Warfare, Carderock Div, Bethesda, MD 20817 USA. Brookhaven Natl Lab, Div Mat, Upton, NY 11973 USA. RP USN, Ctr Surface Warfare, Carderock Div, Code 644,9500 MacArthur Blvd, Bethesda, MD 20817 USA. EM mansouran@nswccd.navy.mil NR 34 TC 47 Z9 48 U1 1 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 27 PY 2002 VL 47 IS 19 BP 3151 EP 3161 AR PII S0013-4686(02)00234-7 DI 10.1016/S0013-4686(02)00234-7 PG 11 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600013 ER PT J AU Johnson, CS Kropf, AJ AF Johnson, CS Kropf, AJ TI In situ XAFS analysis of the LixNi0.8Co0.2O2 cathode during cycling in lithium batteries SO ELECTROCHIMICA ACTA LA English DT Article DE lithium-nickel-cobalt oxide; X-ray absorption; lithium batteries; lithium insertion ID X-RAY-ABSORPTION; FINE-STRUCTURE ANALYSIS; ION BATTERIES; DIFFRACTION; LINIO2; EXAFS AB The layered LiNi0.8Co0.2O2 system has drawn interest as a cathode material for lithium battery high-power applications. In order to determine the charge compensation mechanism and structural perturbations occurring in the system during cycling, in situ battery X-ray absorption fine-structure spectroscopy (XAFS) measurements were conducted on a cell cycled at a moderate rate and typical Li-ion battery operating voltages (3.0-4.1 V). The XAFS data collected at the Ni and Co edges approximately every 30 min during cycling revealed details about the response of the cathode to Li insertion and extraction. These measurements on the LixNi0.8Co0.2O2 cathode (0.29 < x < 0.78) demonstrated that the material retains excellent structural short-range order leading to superior cycling. Interestingly, the Co and Ni atoms behaved differently in response to Li insertion/extraction. This study corroborates previous work that explains the XAFS of the Ni atoms in terms of a Ni3+ Jahn-Teller ion. An analysis of the metal metal distances suggests, contrary to a qualitative analysis of the X-ray absorption near-edge structure (XANES), that Co3+ is oxidized to the maximum extent possible (within the Li content range of this experiment) at x = 0.47 +/- 0.04, while Ni3+ is oxidized in equal and linear increments proportional to the battery's state-of-charge. XAFS results on discharge show an almost completely reversible process with charge compensation through Co4+ and Ni4+ site reduction and a return to the original structural state. (C) 2002 Published by Elsevier Science Ltd. C1 Argonne Natl Lab, Div Chem Technol, Electrochem Technol Program, Argonne, IL 60439 USA. RP Johnson, CS (reprint author), Argonne Natl Lab, Div Chem Technol, Electrochem Technol Program, 9700 S Cass Ave, Argonne, IL 60439 USA. EM johnsoncs@cmt.anl.gov RI ID, MRCAT/G-7586-2011 NR 23 TC 31 Z9 34 U1 2 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 EI 1873-3859 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JUL 27 PY 2002 VL 47 IS 19 BP 3187 EP 3194 AR PII S0013-4686(02)00238-4 DI 10.1016/S0013-4686(02)00238-4 PG 8 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600017 ER PT J AU Totir, DA Antonio, MR Schilling, P Tittsworth, R Scherson, DA AF Totir, DA Antonio, MR Schilling, P Tittsworth, R Scherson, DA TI In situ sulfur K-edge X-ray absorption near edge structure of an embedded pyrite particle electrode in a non-aqueous Li+-based electrolyte solution SO ELECTROCHIMICA ACTA LA English DT Article DE XANES; sulfur K-edge; pyrite; in situ spectroelectrochemistry; embedded particle electrode ID TRANSITION-METAL DICHALCOGENIDES; TEMPERATURE LITHIUM BATTERIES; SPECTROSCOPY; FE; ENVIRONMENT; SPECIATION; MOSSBAUER; CATHODES; SULFIDES; CARBON AB Changes in the composition of embedded pyrite (FeS2) particle electrodes in 1 M LiClO4 propylene carbonate solutions as a function of the applied potential have been examined in situ by S K-edge fluorescence X-ray absorption near edge structure (XANES), using a specially designed cell that minimizes attenuation of low energy X-rays. Pyrite electrodes that had been scanned from 3.0 V versus Li/Li+, i.e. close to the open circuit voltage, down to 1.0 V (fully discharged state, i.e. 4e(-)-reduction) and then half recharged (2e(-)-reoxidation) by scanning the potential in the positive direction up to 2.2 V versus Li/Li+, revealed features consistent with the presence of LiFeS2, in agreement with in situ Fe K-edge results reported earlier by this research group. Moreover, only subtle changes were discerned between the in situ S K-edge XANES of the half-, and fully-recharged electrodes. This close resemblance may reflect similarities between the spectral signatures of Li2FeS2 and Fe1-xS (pyrrhotite), which is the main product of the discharge reaction. Evidence for the formation of elemental sulfur and Li2S, which are believed to be minor products of the reaction, was obtained from analysis of the first differential S XANES and selected difference spectra. The compositional variations of the embedded pyrite particles throughout the course of the electrochemical processes occur in the presence of a persistent sulfate coating. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Case Western Reserve Univ, Dept Chem, Cleveland, OH 44106 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ New Orleans, Dept Mech Engn, New Orleans, LA 70148 USA. Louisiana State Univ, J Bennett Johnston Sr Ctr Adv Microstruct & Devic, Baton Rouge, LA 70803 USA. RP Scherson, DA (reprint author), Case Western Reserve Univ, Dept Chem, Cleveland, OH 44106 USA. NR 27 TC 14 Z9 14 U1 6 U2 46 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 JUL 27 PY 2002 VL 47 IS 19 BP 3195 EP 3200 AR PII S0013-4686(02)00239-6 DI 10.1016/S0013-4686(02)00239-6 PG 6 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600018 ER PT J AU Haas, O Holzer, F Muller, S McBreen, JM Yang, XQ Sun, X Balasubramanian, M AF Haas, O Holzer, F Muller, S McBreen, JM Yang, XQ Sun, X Balasubramanian, M TI X-ray absorption and diffraction studies of La0.6Ca0.4CoO3 perovskite, a catalyst for bifunctional oxygen electrodes SO ELECTROCHIMICA ACTA LA English DT Article DE bifunctional oxygen electrodes; zn/air cells; La0.6Ca0.4CoO3 perovskite; in-situ X-ray absorption; X-ray diffraction ID AIR ELECTRODES; BATTERIES AB The chemical stability of La0.6Ca0.4CoO3 perovskite as an electrocatalyst in bifunctional oxygen electrodes has been studied by exsitu and in-situ X-ray absorption spectroscopy and X-ray diffraction measurements. The catalyst was investigated ex-situ as a powder mixed with BN, and in-situ on carbon supports in bilayer air electrodes at different potentials in an electrochemical cell with an alkaline electrolyte. It was found to be stable for at least 1300 h in electrodes operated under the conditions of rechargeable Zn/air cells. Published by Elsevier Science Ltd. C1 Paul Scherrer Inst, CH-5232 Villigen, Switzerland. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Haas, O (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland. NR 15 TC 30 Z9 33 U1 5 U2 25 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 JUL 27 PY 2002 VL 47 IS 19 BP 3211 EP 3217 AR PII S0013-4686(02)00241-4 DI 10.1016/S0013-4686(02)00241-4 PG 7 WC Electrochemistry SC Electrochemistry GA 588PV UT WOS:000177710600020 ER PT J AU Rice, OV Gordon, N Gifford, AN AF Rice, OV Gordon, N Gifford, AN TI Conditioned place preference to morphine in cannabinoid CB1 receptor knockout mice SO BRAIN RESEARCH LA English DT Article DE cannabinoid receptor; morphine; conditioned place preference; opioid reward; CB1 receptor ID WITHDRAWAL; REWARD AB Recent reports have suggested an involvement of the brain cannabinoid system in the morphine-reward pathway. To address this question we evaluated whether CB I receptor knockout mice would show a conditioned place preference to morphine. CB I receptor knockout mice developed a strong place preference to 4 and 8 mg/kg morphine, similar to that in wild-type Swiss-Webster mice. This data thus does not support a contribution of the brain cannabinoid system to morphine reward. (C) 2002 Elsevier Science BY All rights reserved. C1 Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Gifford, AN (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. FU NIDA NIH HHS [DA2412] NR 7 TC 36 Z9 39 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0006-8993 J9 BRAIN RES JI Brain Res. PD JUL 26 PY 2002 VL 945 IS 1 BP 135 EP 138 AR PII S0006-8993(02)02890-1 DI 10.1016/S0006-8993(02)02890-1 PG 4 WC Neurosciences SC Neurosciences & Neurology GA 580FK UT WOS:000177224300017 PM 12113961 ER PT J AU Macol, CP Tsuruta, H Kantrowitz, ER AF Macol, CP Tsuruta, H Kantrowitz, ER TI Importance of domain closure for the catalysis and regulation of Escherichia coli aspartate transcarbamoylase SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CONCERTED ALLOSTERIC TRANSITION; QUATERNARY STRUCTURE TRANSITION; HETEROTROPIC PROPERTIES; BISUBSTRATE ANALOG; ACTIVE-SITE; BINDING; PURIFICATION; SCATTERING; CHAIN; MUTAGENESIS AB Two hybrid versions of Escherichia coli aspartate transcarbamoylase were studied to determine the influence of domain closure on the homotropic and heterotropic properties of the enzyme. Each hybrid holoenzyme had one wild-type and one inactive catalytic subunit. In the first case the inactive catalytic subunit had Arg-54 replaced by alanine. The holoenzyme with this mutation in all six catalytic chains exhibits a 17,000-fold reduction in activity, no loss in substrate affinity, and an R state structurally identical to that of the wild-type enzyme. In the second case, the inactive catalytic subunit had Arg-105 replaced by alanine. The holoenzyme with this mutation in all six catalytic chains exhibits a 1,100-fold reduction in activity, substantial loss in substrate affinity, and loss of the ability to be converted to the R state. Thus, the R54A substitution results in a holoenzyme that can undergo closure of the catalytic chain domains to form the high activity, high affinity active site and to undergo the allosteric transition, whereas the R105A substitution results in a holoenzyme that can neither undergo domain closure nor the allosteric transition. The hybrid holoenzyme with one wild-type and one R54A catalytic subunit exhibited the same maximal velocity per active site as the wild-type holoenzyme, reduced cooperativity, and normal heterotropic interactions. The hybrid with one wild-type and one R105A catalytic subunit exhibited significantly reduced maximal velocity per active site as compared with the wild-type holoenzyme, reduced cooperativity, and substantially reduced heterotropic interactions. Small angle x-ray scattered was used to verify that the R105A-containing hybrid could attain an R state structure. These results indicate the global nature of the conformational changes associated with the allosteric transition in the enzyme. If one catalytic subunit cannot undergo domain closure to create the active sites, then the entire molecule cannot attain the high activity, high activity R state. C1 Boston Coll, Dept Chem, Merkert Chem Ctr, Chestnut Hill, MA 02467 USA. Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Kantrowitz, ER (reprint author), Boston Coll, Dept Chem, Merkert Chem Ctr, Chestnut Hill, MA 02467 USA. FU NCRR NIH HHS [P41 RR 01209]; NIGMS NIH HHS [GM 26237] NR 34 TC 0 Z9 0 U1 0 U2 0 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 JUL 26 PY 2002 VL 277 IS 30 BP 26852 EP 26857 DI 10.1074/jbc.M203431200 PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 577HR UT WOS:000177055900021 PM 12016227 ER PT J AU Kim, YS Randolph, TW Stevens, FJ Carpenter, JF AF Kim, YS Randolph, TW Stevens, FJ Carpenter, JF TI Kinetics and energetics of assembly, nucleation, and growth of aggregates and fibrils for an amyloidogenic protein - Insights into transition states from pressure, temperature, and co-solute studies SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID LIGHT-CHAIN DEPOSITS; CONGO-RED; DISEASE; DOMAIN; HYDRATION; STABILITY; PEPTIDE; SCRAPIE; GAMMA AB The transition states for prenucleation assembly, nucleation, and growth of aggregates and amyloid fibrils were investigated for a dimeric immunoglobulin light chain variable domain, employing pressure, temperature, and solutes as variables. Pressure-induced aggregation was nucleation-dependent and first-order in protein concentration and could be seeded. The insoluble aggregates were mixtures of amyloid fibrils and amorphous aggregates. Activation volumes, activation surface areas, and activation waters of hydration were larger for aggregate growth than for prenucleation assembly or nucleation, although activation free energies were similar for the three processes. Activation free energies for each of the transition states were dominated by the unfavorable free energy of solvation of newly exposed surfaces. Equilibrium dissociation and unfolding of the dimer showed a much larger volume change than those required to form the transition states for the three processes. Thus, the transition states for these steps are similar to the native state, and their formation requires only small structural perturbations. Finally, the presence of Congo red during amyloid fibril formation shortened lag times and caused pressure insensitivity of nucleation, suggesting that this compound or its analogs may not be effective as inhibitors of amyloidosis. C1 Univ Colorado, Hlth Sci Ctr, Dept Pharmaceut Sci, Sch Pharm, Denver, CO 80262 USA. Univ Colorado, Dept Chem Engn, Boulder, CO 80309 USA. Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Carpenter, JF (reprint author), Univ Colorado, Hlth Sci Ctr, Dept Pharmaceut Sci, Sch Pharm, 4200 E 9th Ave, Denver, CO 80262 USA. RI randolph, theodore/A-3301-2013; OI Kim, Yong-Sung/0000-0003-2673-1509 NR 36 TC 45 Z9 45 U1 0 U2 10 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 JUL 26 PY 2002 VL 277 IS 30 BP 27240 EP 27246 DI 10.1074/jbc.M202492200 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 577HR UT WOS:000177055900070 PM 12023282 ER PT J AU Tomkins, BA Barnard, AR AF Tomkins, BA Barnard, AR TI Determination of organochlorine pesticides in ground water using solid-phase microextraction followed by dual-column gas chromatography with electron-capture detection SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE water analysis; solid-phase microextraction; pesticides; organochlorine pesticides ID SAMPLES AB A rapid, sensitive. convenient, and highly quality-assured method is presented for the determination of 19 organochlorine pesticides (OCPs) in small samples (10 ml) of ground water. Samples are initially fortified with 2,4,5,6-tetrachloro-m-xylene (surrogate) and decachlorobiphenyl (retention time marker), then extracted with a 30-mum thickness polydimethylsiloxane solid-phase microextraction fiber. The analytes collected are thermally desorbed in a heated gas chromatographic inlet, separated using independent fused-silica capillary columns ("primary" and "confirmatory"), and detected using electroncapture detection. Two independent statistical procedures were used to evaluate the detection limits, which typically range between 10 and 40 ng l(-1), for these analytes. Method performance was also evaluated using two additional protocols employing "performance evaluation" samples, in which authentic ground water samples were fortified to ca. 100 ng l(-1) in each of at least six OCPs. The method satisfies additional strict criteria based on uniformity of fiber performance and minimal degradation of the thermally-sensitive analytes endrin and DDT. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Environm Chem & Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Environm Protect & Waste Serv Div, Qual Planning & Assessment Grp, Oak Ridge, TN 37831 USA. RP Tomkins, BA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Environm Chem & Mass Spectrometry Grp, POB 2008, Oak Ridge, TN 37831 USA. OI Tomkins, Bruce/0000-0001-8520-1415 NR 31 TC 39 Z9 43 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD JUL 26 PY 2002 VL 964 IS 1-2 BP 21 EP 33 AR PII S0021-9673(02)00592-7 DI 10.1016/S0021-9673(02)00592-7 PG 13 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 579WP UT WOS:000177201700003 PM 12198850 ER PT J AU Li, S Fritz, JS AF Li, S Fritz, JS TI Organic modifiers for the separation of organic acids and bases by liquid chromatography SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE stationary phases; LC; mobile phase composition; organic acids; organic bases ID ION-EXCLUSION CHROMATOGRAPHY; MOBILE-PHASE; RETENTION; ADDITIVES AB A straight-chain alcohol or diol additive in the mobile phase was used to modify and improve the HPLC separation of organic acids and bases. Incorporation of 2% 1-butanol, 1% 1,2-hexanediol, or 0.25% 1,2-octanediol into an aqueous mobile phase greatly improved the separation of alkane carboxylic acids on a silica C, column, both in terms of separation time and peak shape. When 1.5% 1-hexanol, 0.09% 1-decanol or 0.01% 1-dodecanol was added to an acetonitrile-water (30:70) mobile phase, much sharper peaks and better resolution were obtained for aromatic bases separated on an underivatized polystyrene-divinylbenzene column. The mobile phase additive is believed to coat the stationary phase surface by a dynamic equilibrium. The coated surface is more hydrophilic and facilitates the efficient partitioning of analytes between the mobile and stationary phases. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Fritz, JS (reprint author), Iowa State Univ Sci & Technol, Ames Lab, US DOE, 322 Wilhelm Hall, Ames, IA 50011 USA. NR 13 TC 16 Z9 18 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD JUL 26 PY 2002 VL 964 IS 1-2 BP 91 EP 98 AR PII S0021-9673(02)00584-8 DI 10.1016/S0021-9673(02)00584-8 PG 8 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 579WP UT WOS:000177201700009 PM 12198859 ER PT J AU Szabelski, P Kaczmarski, K Cavazzini, A Chen, YB Sellergren, B Guiochon, G AF Szabelski, P Kaczmarski, K Cavazzini, A Chen, YB Sellergren, B Guiochon, G TI Energetic heterogeneity of the surface of a molecularly imprinted polymer studied by high-performance liquid chromatography SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE surface homogeneity; adsorption isotherms; chiral stationary phases; LC; molecularly imprinted polymers ID CAPILLARY ELECTROCHROMATOGRAPHY; STATIONARY PHASES; ENANTIOMER SEPARATION; RECOGNITION; BINDING; TEMPERATURE; SELECTIVITY; ISOTHERM; PEPTIDES; SENSORS AB The influence of thermal annealing on the surface homogeneity of a polymer imprinted against L-phenylalanine anilide (LPA) was examined using high-performance liquid chromatography (HPLC) for the measurement of the adsorption isotherms. The isotherms obtained for LPA and for its enantiomer, D-phenylalanine anilide (DPA) were fitted to the Freundlich (F) equation which accounts for the energetic heterogeneity of the surface with a separate parameter. Changes in the adsorptive properties of the polymer produced by thermal annealing were deduced by comparing the heterogeneity parameters given by the nonlinear regression. These changes were also illustrated by deriving the isosteric heats of adsorption as functions of the amounts adsorbed and by calculating the associated affinity distributions. This latter technique involves an application of the affinity spectrum (AS) combined with the F adsorption model. The plausibility and accuracy of the combination is discussed. It is shown that the derivation of the amplitudes of the affinity distributions from the F parameters is inaccurate, making difficult the proper estimate of the changes in the total population of adsorption sites. In contrast, the AS method gives correct estimates of the parameter that characterizes the slope of the affinity distributions. The results derived from the three sets of results (F model parameters, isosteric heats of adsorption, AS+F method) show consistently that annealing reduces the energetic heterogeneity of the polymer surface for both LPA and DPA. In practice, however, the improvement of the polymer performance in HPLC is relatively limited. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RI Cavazzini, Alberto/B-7051-2015 OI Cavazzini, Alberto/0000-0002-2510-0871 NR 53 TC 52 Z9 54 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD JUL 26 PY 2002 VL 964 IS 1-2 BP 99 EP 111 AR PII S0021-9673(02)00587-3 DI 10.1016/S0021-9673(02)00587-3 PG 13 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 579WP UT WOS:000177201700010 PM 12198860 ER PT J AU Abbamonte, P Venema, L Rusydi, A Sawatzky, GA Logvenov, G Bozovic, I AF Abbamonte, P Venema, L Rusydi, A Sawatzky, GA Logvenov, G Bozovic, I TI A structural probe of the doped holes in cuprate superconductors SO SCIENCE LA English DT Article ID OXIDES AB An unresolved issue concerning cuprate superconductors is whether the distribution of carriers in the CuO2 plane is uniform or inhomogeneous. Because the carriers comprise a small fraction of the total charge density and may be rapidly fluctuating, modulations are difficult to detect directly. We demonstrate that in anomalous x-ray scattering at the oxygen K edge of the cuprates, the contribution of carriers to the scattering amplitude is selectively magnified 82 times. This enhances diffraction from the doped holes by more than 10(3), permitting direct structural analysis of the superconducting ground state. Scattering from thin films of La2CuO4+delta (superconducting transition temperature = 39 K) at temperature = 50 +/- 5 kelvin on the reciprocal space intervals (0,0,0.21) --> (0,0,1.21) and (0,0,0.6) --> (0.3,0,0.6) shows a rounding of the carrier density near the substrate suggestive of a depletion zone or similar effect. The structure factor for off-specular scattering was less than 3 x 10(-7) electrons, suggesting an absence of in-plane hole ordering in this material. C1 Univ Groningen, Ctr Mat Sci, NL-9747 AG Groningen, Netherlands. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Oxxel GmbH, D-28359 Bremen, Germany. RP Abbamonte, P (reprint author), Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. RI Sawatzky, George/D-2997-2012; Rusydi, Andrivo/I-1849-2016 NR 14 TC 73 Z9 73 U1 8 U2 28 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 JUL 26 PY 2002 VL 297 IS 5581 BP 581 EP 584 DI 10.1126/science.1070903 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 577GY UT WOS:000177054200044 PM 12142531 ER PT J AU Gracia, FJ Miller, JT Kropf, AJ Wolf, EE AF Gracia, FJ Miller, JT Kropf, AJ Wolf, EE TI Kinetics, FTIR, and controlled atmosphere EXAFS study of the effect of chlorine on Pt-supported catalysts during oxidation reactions SO JOURNAL OF CATALYSIS LA English DT Article DE chlorine poisoning; Pt/alumina; Pt/silica; hydrocarbon oxidation; EXAFS; IR of adsorbed CO ID RAY-ABSORPTION-SPECTROSCOPY; PT/AL2O3 CATALYSTS; PALLADIUM CATALYSTS; PD/AL2O3 CATALYSTS; METHANE OXIDATION; CARBON-MONOXIDE; IN-SITU; PLATINUM; COMBUSTION; ALUMINA AB The poisoning effect of Cl on the activity of Pt-supported catalysts for CO, methane, and ethane oxidation has been investigated by kinetic studies and in situ IR and controlled atmosphere EXAFS spectroscopies. Catalysts containing 1.5% Pt/Al2O3 were prepared by incipient wetness from H2PtCl6 and Pt(NH3)(4)(NO3)(2) precursors. The reduced catalysts have similar dispersion (0.8) as estimated by H-2 chemisorption. The Cl-free catalyst was 10 times more active than the Cl-containing catalyst during CO and ethane oxidation. Addition of HCl to the Cl-free catalyst rendered its activity identical to the catalyst prepared from Cl-containing precursors. The presence of Cl also affects the activity of 2% Pt/SiO2 catalysts, but to a lower extent. On the Cl-free oxidation catalyst, Pt-Pt and Pt-O bonds were detected using EXAFS, suggesting that the reduced metal particles are not fully oxidized under the reaction conditions. Additionally, chemisorption of CO by the oxidized catalyst indicates that a portion of the reduced Pt atoms is exposed to the reactants. On the Cl-containing catalyst, there are also Pt-Cl as well as Pt-Pt and Pt-O bonds. The later catalyst, however, does not chemisorb CO, indicating that there are no reduced surface Pt atoms. The effect of Cl poisoning on the oxidation activity of Pt supported on silica is similar to that on alumina. IR results show that chlorine significantly reduces the amount of CO adsorbed on metallic Pt sites. At low temperature there is little CO adsorbed on the Cl-containing Pt/silica catalyst, while at higher temperature the amount of adsorbed CO increases, likely due to reduction of the oxidized surface. The catalyst activities correlate well with the amount of reduced surface sites, and a model is proposed to explain the mechanism of chloride poisoning, which is shown to occur mainly by site blocking. (C) 2002 Elsevier Science (USA). C1 Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA. BP Res Ctr, Naperville, IL 60563 USA. Argonne Natl Lab, Div Chem Technol, Argonne, IL 60439 USA. RP Wolf, EE (reprint author), Univ Notre Dame, Dept Chem Engn, Notre Dame, IN 46556 USA. RI ID, MRCAT/G-7586-2011; Gracia, Francisco/I-2145-2013 OI Gracia, Francisco/0000-0001-5266-3234 NR 46 TC 59 Z9 61 U1 9 U2 53 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 JUL 25 PY 2002 VL 209 IS 2 BP 341 EP 354 DI 10.1006/jcat.2002.3601 PG 14 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 574XV UT WOS:000176916300007 ER PT J AU Radziszewski, JG Waluk, J Kaszynski, P Spanget-Larsen, J AF Radziszewski, JG Waluk, J Kaszynski, P Spanget-Larsen, J TI High-resolution spectroscopic study of matrix-isolated reactive intermediates: Vibrational assignments for 3-fluoro-o-benzyne and perfluoro-o-benzynel SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DENSITY-FUNCTIONAL THEORY; IR TRANSITION-MOMENT; AB-INITIO; ARGON MATRIX; INFRARED-SPECTRUM; META-BENZYNE; REARRANGEMENT; PROPADIENONE; PYROLYSIS; CYCLOPENTADIENYLIDENECARBENE AB A novel "site decompression technique" that takes advantage of specific pressure relaxation effects in cryogenic noble gas matrices was applied in a spectroscopic investigation of the two title compounds, resulting in virtually background-free, complete, high-resolution IR spectra with line widths of ca. 0.1 cm(-1). The compounds were prepared photo chemically in Ar and Ne matrices and, together with the related intermediates, fluorinated benzocyclopropenone and cyclopentadienylideneketene, characterized by IR and UV-visible absorption spectroscopy. Weak IR absorption bands observed at 1878 cm(-1) for perfluoro-o-benzyne and at 1866 cm(-1) for 3-fluoro-o-benzyne were assigned to CC triple bond stretching vibrations, corresponding to the transition at 1846 cm(-1) in the parent o-benzyne. The application of polarization spectroscopy on photooriented samples led to the determination of transition moment directions for most of the observed vibrational transitions. Absolute IR absorption intensities were also obtained. The assignments of the observed transitions were supported by the results of B3LYP/cc-pVDZ quantum chemical calculations. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. ADA Technol Inc, Littleton, CO 80127 USA. Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland. Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA. Roskilde Univ Ctr, Dept Chem, DK-4000 Roskilde, Denmark. RP Radziszewski, JG (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. RI Waluk, Jacek/C-8250-2011 NR 56 TC 6 Z9 6 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 JUL 25 PY 2002 VL 106 IS 29 BP 6730 EP 6737 DI 10.1021/jp0209998 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 575PJ UT WOS:000176956300007 ER PT J AU Larson, K Vaknin, D Villavicencio, O McGrath, D Tsukruk, VV AF Larson, K Vaknin, D Villavicencio, O McGrath, D Tsukruk, VV TI Molecular packing of amphiphiles with crown polar heads at the air-water interface SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID X-RAY-DIFFRACTION; LIQUID-CRYSTALLINE PHASE; LANGMUIR-BLODGETT-FILMS; MONOLAYERS; DENDRIMERS; ACID; MONODENDRONS; SURFACE; REFLECTIVITY; TRANSITIONS AB An amphiphilic compound containing a benzyl-15-crown-5 focal point, azobenzene spacer, and a dodecyl tail as a peripheral group has been investigated at the air-water interface. X-ray reflectivity and grazing incident diffraction (XGID) were performed on the Langmuir monolayers to elucidate molecular packing and orientation of molecular fragments for the compound with mismatch between cross-sectional areas of hydrophobic and hydrophilic segments. At high surface pressure, we observed intralayer packing of the alkyl tails with doubling parameters of the conventional orthorhombic unit cell (supercell) and long-range positional ordering. High tilt of the alkyl tails of 58degrees from the surface normal was a signature of molecular packing caused by a large mismatch between the cross-sectional areas of the polar head (45 Angstrom(2)) and the alkyl tail (20 Angstrom(2)). C1 Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. RP Tsukruk, VV (reprint author), Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. RI Vaknin, David/B-3302-2009 OI Vaknin, David/0000-0002-0899-9248 NR 39 TC 26 Z9 28 U1 0 U2 2 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 JUL 25 PY 2002 VL 106 IS 29 BP 7246 EP 7251 DI 10.1021/jp015579h PG 6 WC Chemistry, Physical SC Chemistry GA 575PE UT WOS:000176955900017 ER PT J AU Cosentino, L Malling, HV Heddle, JA AF Cosentino, L Malling, HV Heddle, JA TI Response of the phi X174 am3, cs70 transgene to acute and chronic ENU exposure: implications for protocol design SO MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS LA English DT Article DE treatment protocol; transgenic mice; mutagen ID MUTATIONS IN-VIVO; SOMATIC MUTATION; MOLECULAR CHARACTERISTICS; LACZ TRANSGENE; STEM-CELLS; SHORT-TERM; MICE; MUTAGENESIS; INVIVO; LOCUS AB Studies of other transgenic assays have shown that time after treatment is a very important variable in the analysis of mutation frequencies but that eventually a plateau frequency is reached, indicating that the mutations are neutral. This neutrality is very important for the design of both experiments and testing protocols. Here we show that the phi 174 am3, cs70 transgene gives qualitatively similar results to the other transgenes studied after exposure of the mice to N-ethyl-N-nitrosourea. In the small intestine, the mutant frequency induced by an acute dose did not change significantly from 10 to 70 days post-treatment, indicating that the mutations induced are, indeed, neutral. Likewise, the mutant frequency increased linearly with duration of exposure to ENU at a constant rate. Mutant frequencies obtained were 10 times higher from the chronic exposure than produced by a nearly lethal acute dose. As in previous comparisons of a transgene and the endogenous Dlb-1 locus in the small intestine, the chronic exposure was much more effective at increasing the sensitivity of the transgene than of the endogenous gene. The Dlb-1 locus shows more complex kinetics in this strain, as in others, with mutations initially accumulating at a slower rate, indicating a differential repair of genetic damage. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, Livermore, CA 94550 USA. York Univ, Dept Biol, Toronto, ON M3J 1P3, Canada. NIEHS, Mammalian Genet Grp, Toxicol Lab, Environm Toxicol Program, Res Triangle Pk, NC 27709 USA. RP Cosentino, L (reprint author), Lawrence Livermore Natl Lab, Biol & Biotechnol Res Program, 7000 East Ave, Livermore, CA 94550 USA. NR 27 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1383-5718 J9 MUTAT RES-GEN TOX EN JI Mutat. Res. Genet. Toxicol. Environ. Mutagen. PD JUL 25 PY 2002 VL 518 IS 2 BP 113 EP 121 AR PII S1383-5718(02)00078-5 DI 10.1016/S1383-5718(02)00078-5 PG 9 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology GA 581CN UT WOS:000177273700002 PM 12113762 ER PT J AU Giaever, G Chu, AM Ni, L Connelly, C Riles, L Veronneau, S Dow, S Lucau-Danila, A Anderson, K Andre, B Arkin, AP Astromoff, A El Bakkoury, M Bangham, R Benito, R Brachat, S Campanaro, S Curtiss, M Davis, K Deutschbauer, A Entian, KD Flaherty, P Foury, F Garfinkel, DJ Gerstein, M Gotte, D Guldener, U Hegemann, JH Hempel, S Herman, Z Jaramillo, DF Kelly, DE Kelly, SL Kotter, P LaBonte, D Lamb, DC Lan, N Liang, H Liao, H Liu, L Luo, CY Lussier, M Mao, R Menard, P Ooi, SL Revuelta, JL Roberts, CJ Rose, M Ross-Macdonald, P Scherens, B Schimmack, G Shafer, B Shoemaker, DD Sookhai-Mahadeo, S Storms, RK Strathern, JN Valle, G Voet, M Volckaert, G Wang, CY Ward, TR Wilhelmy, J Winzeler, EA Yang, YH Yen, G Youngman, E Yu, KX Bussey, H Boeke, JD Snyder, M Philippsen, P Davis, RW Johnston, M AF Giaever, G Chu, AM Ni, L Connelly, C Riles, L Veronneau, S Dow, S Lucau-Danila, A Anderson, K Andre, B Arkin, AP Astromoff, A El Bakkoury, M Bangham, R Benito, R Brachat, S Campanaro, S Curtiss, M Davis, K Deutschbauer, A Entian, KD Flaherty, P Foury, F Garfinkel, DJ Gerstein, M Gotte, D Guldener, U Hegemann, JH Hempel, S Herman, Z Jaramillo, DF Kelly, DE Kelly, SL Kotter, P LaBonte, D Lamb, DC Lan, N Liang, H Liao, H Liu, L Luo, CY Lussier, M Mao, R Menard, P Ooi, SL Revuelta, JL Roberts, CJ Rose, M Ross-Macdonald, P Scherens, B Schimmack, G Shafer, B Shoemaker, DD Sookhai-Mahadeo, S Storms, RK Strathern, JN Valle, G Voet, M Volckaert, G Wang, CY Ward, TR Wilhelmy, J Winzeler, EA Yang, YH Yen, G Youngman, E Yu, KX Bussey, H Boeke, JD Snyder, M Philippsen, P Davis, RW Johnston, M TI Functional profiling of the Saccharomyces cerevisiae genome SO NATURE LA English DT Article ID CAENORHABDITIS-ELEGANS; YEAST GENOME; EXPRESSION; DISRUPTION; SEQUENCES; DELETION; PROTEIN; GENES AB Determining the effect of gene deletion is a fundamental approach to understanding gene function. Conventional genetic screens exhibit biases, and genes contributing to a phenotype are often missed. We systematically constructed a nearly complete collection of gene-deletion mutants (96% of annotated open reading frames, or ORFs) of the yeast Saccharomyces cerevisiae. DNA sequences dubbed 'molecular bar codes' uniquely identify each strain, enabling their growth to be analysed in parallel and the fitness contribution of each gene to be quantitatively assessed by hybridization to high-density oligonucleotide arrays. We show that previously known and new genes are necessary for optimal growth under six well-studied conditions: high salt, sorbitol, galactose, pH 8, minimal medium and nystatin treatment. Less than 7% of genes that exhibit a significant increase in messenger RNA expression are also required for optimal growth in four of the tested conditions. Our results validate the yeast gene-deletion collection as a valuable resource for functional genomics. C1 Stanford Univ, Stanford Genome Technol Ctr, Palo Alto, CA 94304 USA. Stanford Univ, Sch Med, Dept Biochem, Stanford, CA 94305 USA. Yale Univ, Dept Mol Cellular & Dev Biol, New Haven, CT 06520 USA. Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA. Johns Hopkins Univ, Sch Med, Dept Mol Biol & Genet, Baltimore, MD 21205 USA. Washington Univ, Sch Med, Dept Genet, St Louis, MO 63110 USA. McGill Univ, Dept Biol, Montreal, PQ H3A 1B1, Canada. Rosetta Inpharmat Inc, Kirkland, WA 98034 USA. Catholic Univ Louvain, FYSA, B-1348 Louvain, Belgium. Free Univ Brussels, Lab Physiol Cellulaire, Gosselies, Belgium. Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Free Univ Brussels, IRMW, B-1070 Brussels, Belgium. Univ Salamanca, CSIC, Inst Microbiol & Bioquim, Dept Genet & Microbiol, E-37007 Salamanca, Spain. Univ Basel, Biozentrum, Dept Mol Microbiol, CH-4056 Basel, Switzerland. Univ Padua, Dept Biol, I-35121 Padua, Italy. Goethe Univ Frankfurt, Inst Microbiol, EUROSCARF, D-60439 Frankfurt, Germany. Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. NCI, Ctr Canc Res, Gene Regulat & Chromosome Biol Lab, Frederick, MD 21702 USA. Univ Dusseldorf, Inst Mikrobiol, D-40225 Dusseldorf, Germany. Univ Wales, Inst Biol Sci, Aberystwyth SY23 3DA, Dyfed, Wales. Concordia Univ, Dept Biol, Montreal, PQ H3G 1M8, Canada. Katholieke Univ Leuven, Lab Gene Technol, B-3001 Heverlee, Belgium. RP Davis, RW (reprint author), Stanford Univ, Stanford Genome Technol Ctr, Palo Alto, CA 94304 USA. EM dbowe@cmgm.stanford.edu RI Arkin, Adam/A-6751-2008; Flaherty, Patrick/A-1720-2011; Andre, Bruno/D-1725-2010; Entian, Karl-Dieter/D-3080-2011; Revuelta, Jose/C-2324-2012; Guldener, Ulrich/G-5227-2012; Storms, Reginald/B-2405-2013; Benito, Rocio/B-4271-2017; OI VALLE, GIORGIO/0000-0003-4377-5685; CAMPANARO, STEFANO/0000-0002-9431-1648; Arkin, Adam/0000-0002-4999-2931; Revuelta, Jose/0000-0001-7838-5308; Guldener, Ulrich/0000-0001-5052-8610; Benito, Rocio/0000-0001-9781-4198; Boeke, Jef/0000-0001-5322-4946; Johnston, Mark/0000-0002-4932-7229 NR 22 TC 2258 Z9 3440 U1 12 U2 192 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 25 PY 2002 VL 418 IS 6896 BP 387 EP 391 DI 10.1038/nature00935 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 576MU UT WOS:000177009700029 PM 12140549 ER PT J AU Link, JM Reyes, M Yager, PM Anjos, JC Bediaga, I Gobel, C Magnin, J Massafferri, A de Miranda, JM Pepe, IM 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 Ramirez, JE Segoni, I Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Benussi, L Bianco, S Fabbri, FL Zallo, A Cawlfield, C Kim, DY Park, KS Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chang, KH Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Cerutti, A Boschini, M D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M 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 Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Mendez, L Montiel, E Olaya, D Paris, A Quinones, J Rivera, C Xiong, W Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M AF Link, JM Reyes, M Yager, PM Anjos, JC Bediaga, I Gobel, C Magnin, J Massafferri, A de Miranda, JM Pepe, IM 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 Ramirez, JE Segoni, I Butler, JN Cheung, HWK Chiodini, G Gaines, I Garbincius, PH Garren, LA Gottschalk, E Kasper, PH Kreymer, AE Kutschke, R Benussi, L Bianco, S Fabbri, FL Zallo, A Cawlfield, C Kim, DY Park, KS Rahimi, A Wiss, J Gardner, R Kryemadhi, A Chang, KH Chung, YS Kang, JS Ko, BR Kwak, JW Lee, KB Cho, K Park, H Alimonti, G Barberis, S Cerutti, A Boschini, M D'Angelo, P DiCorato, M Dini, P Edera, L Erba, S Giammarchi, M 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 Merlo, MM Pantea, D Ratti, SP Riccardi, C Vitulo, P Hernandez, H Lopez, AM Mendez, H Mendez, L Montiel, E Olaya, D Paris, A Quinones, J Rivera, C Xiong, W Zhang, Y Wilson, JR Handler, T Mitchell, R Engh, D Hosack, M Johns, WE Nehring, M Sheldon, PD Stenson, K Vaandering, EW Webster, M Sheaff, M CA FOCUS Collaboration TI Measurements of relative branching ratios of Lambda(+)(c) decays into states containing Sigma SO PHYSICS LETTERS B LA English DT Article AB We have studied the Cabibbo suppressed decay Lambda(c)(+) --> K*(0)(892) and the Cabibbo favored decays Lambda(c)(+) --* Sigma(+)K(+)K(-), Lambda(c)(+) - - E(+)phi and Lambda(c)(+) -- - Xi*(0)(Sigma(+)K(-))K+ and measured their branching ratios relative to Lambda(c)(+) --+ Sigma(+)pi(+)pi(-) to be (7.8 +/- 1.8 +/- 1.3) %, (7.1 +/- 1.1 +/- 1.1) %, (8.7 +/- 1.6 +/- 0.6) % and (2.2 +/- 0.6 +/- 0.6) %, respectively. The first error is statistical and the second is systematic. We also report two 90% confidence level limits Gamma(Lambda(c)(+) --> Sigma(-)K(+)pi(+))/Gamma(Lambda(c)(+) --> Sigma+K*(0)(892)) < 35% and Gamma(Lambda(c)(+) --> Sigma(+)K(+)K(-))(NR)/Gamma(Lambda(c)(+) --> Sigma(+)pi(+)pi(-)) < 2.8%. (C) 2002 Elsevier Science B.V. All rights reserved. C1 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 Illinois, Urbana, IL 61801 USA. Indiana Univ, Bloomington, IN 47405 USA. 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. Dipartimento Fis Teorica & Nucl, Pavia, Italy. Ist Nazl Fis Nucl, 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 Link, JM (reprint author), Univ Calif Davis, Davis, CA 95616 USA. 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; Kryemadhi, Abaz/0000-0002-1240-2803 NR 8 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD JUL 25 PY 2002 VL 540 IS 1-2 BP 25 EP 32 AR PII S0370-2693(02)02103-2 DI 10.1016/S0370-2693(02)02103-2 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 579XD UT WOS:000177203200005 ER PT J AU Wang, XN Yuan, F AF Wang, XN Yuan, F TI Azimuthal asymmetry of J/psi suppression in non-central heavy-ion collisions SO PHYSICS LETTERS B LA English DT Article ID PB-PB COLLISIONS; NUCLEAR COLLISIONS; TRANSVERSE ENERGY; PLASMA; DEPENDENCE; ANISOTROPY; PATTERN; FLOW AB The azimuthal asymmetry of J/psi suppression in non-central heavy-ion collisions is studied within a dynamic model of J/psi suppression in a deconfined partonic medium. Within this model, J/psi suppression in heavy-ion collisions is caused mainly by the initial state nuclear absorption and dissociation via gluon-J/psi scattering in deconfined partonic medium. Only the second mechanism gives arise to azimuthal asymmetry of the final J/psi production. We demonstrate that if there is an onset of suppression by quark-gluon plasma (QGP) in the NA50 data, it must be accompanied by the non-vanishing azimuthal asymmetry. Using the same critical density above which the QGP effect enters, we predict the azimuthal asymmetric coefficient nu(2) as well as the survival probability for J/psi at the RHIC energy. (C) 2002 Published by Elsevier Science B.V. C1 Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Heidelberg, Inst Theoret Phys, D-69120 Heidelberg, Germany. RP Wang, XN (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, MS 70-319, Berkeley, CA 94720 USA. RI Yuan, Feng/N-4175-2013; OI Wang, Xin-Nian/0000-0002-9734-9967 NR 24 TC 24 Z9 25 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 JUL 25 PY 2002 VL 540 IS 1-2 BP 62 EP 67 AR PII S0370-2693(02)02121-4 DI 10.1016/S0370-2693(02)02121-4 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 579XD UT WOS:000177203200009 ER PT J AU Majumdar, D Balasubramanian, K Nitsche, H AF Majumdar, D Balasubramanian, K Nitsche, H TI A comparative theoretical study of bonding in UO2++, UO2+, UO2, UO2-, OUCO, O2U(CO)(2) and UO2CO3 SO CHEMICAL PHYSICS LETTERS LA English DT Article ID RELATIVISTIC EFFECTIVE POTENTIALS; SPIN-ORBIT OPERATORS; INFRARED-SPECTRA; URANYL-ION; CHEMISTRY; COMPLEXES; STATES; SYSTEM; ACIDS; NEON AB Extensive ab initio calculations have been carried out to study the structure and bonding characteristics of UO2++,UO2,UO2+,UO2-,OUCO,O2U(CO)(2), and UO2CO3 using various methods including complete active space multiconfiguration self consistent filed (CASMCSCF) and multireference singles plus doubles configuration (MRSDCI) techniques. The calculated vibrational frequencies of these species are compared with the matrix spectra of Andrews and coworkers. The nature of bonding in these species is discussed. (C) 2002 Published by Elsevier Science B.V. C1 Univ Calif Davis, Davis Coll Engn, Dept Appl Sci, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Balasubramanian, K (reprint author), Univ Calif Davis, Davis Coll Engn, Dept Appl Sci, Hertz Hall,Bldg 661,POB 808,L-794, Livermore, CA 94550 USA. NR 35 TC 43 Z9 43 U1 0 U2 4 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 JUL 24 PY 2002 VL 361 IS 1-2 BP 143 EP 151 AR PII S0009-2614(02)00899-0 DI 10.1016/S0009-2614(02)00899-0 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 582NB UT WOS:000177357100021 ER PT J AU Choi, CH Liu, DJ Evans, JW Gordon, MS AF Choi, CH Liu, DJ Evans, JW Gordon, MS TI Passive and active oxidation of Si(100) by atomic oxygen: A theoretical study of possible reaction mechanisms SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULAR-ORBITAL METHODS; MM3 FORCE-FIELD; DEGENERATE PERTURBATION-THEORY; SCANNING-TUNNELING-MICROSCOPY; CORRELATED WAVE-FUNCTIONS; SI(001) SURFACE; AB-INITIO; ELECTRONIC-STRUCTURES; OPTIMIZATION SCHEME; SI EJECTION AB Reaction mechanisms for oxidation of the Si(100) surface by atomic oxygen were studied with high-level quantum mechanical methods in combination with a hybrid QM/MM (Quantum mechanics/Molecular Mechanics) method. Consistent with previous experimental and theoretical results, three structures, "back-bond", "on-dimer", and "dimer-bridge", are found to be the most stable initial surface products for O adsorption (and in the formation of SiO2 films, i.e., passive oxidation). All of these structures have significant diradical character. In particular, the "dimer-bridge" is a singlet diradical. Although the ground state of the separated reactants, O+Si(100), is a triplet, once the O atom makes a chemical bond with the surface, the singlet potential energy surface is the ground state. With mild activation energy, these three surface products can be interconverted, illustrating the possibility of the thermal redistribution among the initial surface products. Two channels for SiO desorption (leading to etching, i.e., active oxidation) have been found, both of which start from the back-bond structure. These are referred to as the silicon-first (SF) and oxygen-first (OF) mechanisms. Both mechanisms require an 89.8 kcal/mol desorption barrier, in good agreement with the experimental estimates of 80-90 kcal/mol. "Secondary etching" channels occurring after initial etching may account for other lower experimental desorption barriers. The calculated 52.2 kcal/mol desorption barrier for one such secondary etching channel suggests that the great variation in reported experimental barriers for active oxidation may be due to these different active oxidation channels. C1 Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Math, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. Kyungpook Natl Univ, Coll Nat Sci, Dept Chem, Taegu 702701, South Korea. RP Gordon, MS (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. EM mark@si.fi.ameslab.gov NR 66 TC 38 Z9 38 U1 2 U2 10 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 JUL 24 PY 2002 VL 124 IS 29 BP 8730 EP 8740 AR UNSP JA012454H DI 10.1021/ja012454h PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 575EF UT WOS:000176933100046 PM 12121118 ER PT J AU Xu, XQ Nevins, WM Cohen, RH Myra, JR Snyder, PB AF Xu, XQ Nevins, WM Cohen, RH Myra, JR Snyder, PB TI Dynamical simulations of boundary plasma turbulence in divertor geometry SO NEW JOURNAL OF PHYSICS LA English DT Article ID SCRAPE-OFF LAYER; L-H TRANSITION; EDGE TURBULENCE; SHEAR-LAYER; ZONAL FLOW; X-POINT; TOKAMAK; TRANSPORT; MODEL AB Direct comparisons between numerical simulations and the measured plasma fluctuations and transport are presented by performing nonlinear two-fluid simulations with the BOUT code (Xu X Q and Cohen R H 1998 Contrib. Plasma Phys. 38 158). BOUT models boundary-plasma turbulence in a realistic divertor geometry using modified Braginskii equations for plasma vorticity, density (n(i)), electron and ion temperature (T-e, T-i) and parallel momenta. The BOUT code solves for the plasma fluid equations in a 3D toroidal segment, including the region somewhat inside the separatrix and extending into the scrape-off layer; the private flux region is also included. In this paper, the physics of resistive X-point turbulence and its relation to flow shear generation is discussed. We present comparisons between the boundary plasma turbulence observed in the BOUT code and experiments on DIII-D (Luxon J L et al 1986 Int. Conf. on Plasma Physics and Controlled Nuclear Fusion (Vienna: IAEA) p 159), the National Spherical Torus Experiment (Peng Y-K M 2000 Phys. Plasmas 7 1681), and C-Mod (Hutchinson I H et al 1994 Phys. Plasmas 1 1511). In an L-mode discharge in the DIII-D tokamak, both BOUT simulations and beam emission spectroscopy show a similar flow pattern and blob size across the last closed flux surface. In an L-mode discharge, both BOUT simulations and gas puff imaging show similar filament structures along the field line and similar frequency spectrum at the outboard midplane. In simulations of the quasi-coherent mode in the EDA regime of C-Mod, the particle flux measured from BOUT simulation is consistent with Langmuir probe measurements on C-Mod at the midplane near the separatrix. The qualitative comparisons thus indicate that BOUT contains much of the relevant physics for boundary plasma turbulence in the experimentally relevant X-point divertor geometry of present-day tokamaks and spherical tori. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Lodestar Res Corp, Boulder, CO 80301 USA. Gen Atom Co, San Diego, CA 92186 USA. RP Xu, XQ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 42 TC 36 Z9 36 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 24 PY 2002 VL 4 AR 53 DI 10.1088/1367-2630/4/1/353 PG 15 WC Physics, Multidisciplinary SC Physics GA 578MD UT WOS:000177120700001 ER PT J AU Trainor, TP Templeton, AS Brown, GE Parks, GA AF Trainor, TP Templeton, AS Brown, GE Parks, GA TI Application of the long-period X-ray standing wave technique to the analysis of surface reactivity: Pb(II) sorption at alpha-Al2O3/aqueous solution interfaces in the presence and absence of Se(VI) SO LANGMUIR LA English DT Article ID PROBING ELECTROCHEMICAL INTERFACES; ELECTRICAL DOUBLE-LAYER; GOETHITE ALPHA-FEOOH; WATER INTERFACE; DIFFRACTION; ROUGHNESS; SUPERLATTICES; DISTRIBUTIONS; FLUORESCENCE; (HYDR)OXIDES AB A long-period X-ray standing wave (XSW) study of the reactivity of mineral surfaces in contact with metal(loid)-bearing aqueous solutions is presented. Experimental XSW fluorescence yield data for Pb(II) and Pb(II)/Se(VI) adsorption on alpha-Al2O3(0001) and -(1102) surfaces under in situ conditions are described, and the details of the data modeling approach are presented. XSW results for Pb(II) uptake (at [Pb] = 6-600 muM) on the (1102) and (0001) surfaces of alpha-Al2O3 in the absence of Se(VI) confirm that the (1102) surface has an overall higher affinity for Pb(II) uptake than the (0001) surface at pH 4.5. The presence of Se(VI) at 600 muM appears to result in a significant diffuse-layer accumulation of Pb, likely because of a large negative surface charge on the alpha-Al2O3(1102) surface, but to exert only a small influence at the (0001) surface. The observed reactivity differences are discussed in terms of the surface structures of the hydrated alpha-Al2O3(0001) and -(1102) substrates. C1 Stanford Synchrotron Radiat Lab, SLAC, Menlo Pk, CA 94025 USA. Stanford Univ, Dept Geog & Environm Sci, Surface & Aqueous Geochem Grp, Stanford, CA 94305 USA. RP Trainor, TP (reprint author), Univ Chicago, Consortium Adv Radiat Sources, 9700 S Cass Ave,Bldg 434-A, Argonne, IL 60439 USA. NR 41 TC 36 Z9 36 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 23 PY 2002 VL 18 IS 15 BP 5782 EP 5791 AR UNSP LA015740F DI 10.1021/la015740f PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 574RN UT WOS:000176903500024 ER PT J AU Seo, YS Kim, KS Shin, K White, H Rafailovich, M Sokolov, J Lin, BH Kim, HJ Zhang, CX Balogh, L AF Seo, YS Kim, KS Shin, K White, H Rafailovich, M Sokolov, J Lin, BH Kim, HJ Zhang, CX Balogh, L TI Morphology of amphiphilic gold/dendrimer nanocomposite monolayers SO LANGMUIR LA English DT Article ID DENDRITIC MACROMOLECULES; DENDRIMERS; MOLECULES; POLYMERS; FILMS AB We have synthesized amphiphilic gold/poly(amidoamine) (PAMAM) dendrimer nanocomposites (DNCs) using hydrophobically modified ethylenediamine (EDA) core generation-2 and -4 dendrimers as templates. Monolayers of gold DNCs were spread at the air/water interface of a Langmuir trough, and X-ray reflectivity was performed both in situ and on transferred LB layers. From the scattering length density and the specular reflectivity profiles, we find that the dendrimer layer is hydrated and the Au is uniformly distributed within the dendrimer body. Diffuse scattering shows no distinct features in agreement with TEM images, which show that the Au is disordered. The second-generation dendrimer was spherical on the water surface, whereas the fourth-generation became oblate at high pressures. The isotherms were also measured as a function of the pH of the water subphase. The results show that, at high pH, the dendrimers become "soft" and the films collapse at smaller areas. For lower pH values, a distinct plateau is observed that is postulated to arise from crystallization of the carbon side chains. The presence of Au in the dendrimer appears to amplify the effects of pH on the isotherms. C1 SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Michigan, Ctr Biol Nanotechnol, Ann Arbor, MI 48109 USA. RP Rafailovich, M (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. RI Shin, Kwanwoo /C-4979-2012; OI Shin, Kwanwoo/0000-0002-7563-8581; Balogh, Lajos/0000-0002-3115-0787 NR 14 TC 22 Z9 22 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 23 PY 2002 VL 18 IS 15 BP 5927 EP 5932 DI 10.1021/la025504k PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 574RN UT WOS:000176903500042 ER PT J AU He, DW Zhao, YS Daemen, L Qian, J Shen, TD Zerda, TW AF He, DW Zhao, YS Daemen, L Qian, J Shen, TD Zerda, TW TI Boron suboxide: As hard as cubic boron nitride SO APPLIED PHYSICS LETTERS LA English DT Article ID HIGH-PRESSURE; SUPERHARD MATERIALS; FRACTURE-TOUGHNESS; B6O; TEMPERATURE; PHASES; SYSTEM; BC2N AB The Vickers hardness of boron suboxide single crystals was measured using a diamond indentation method. Under a loading force of 0.98 N, our test gave an average Vickers hardness of 45 GPa. The average fracture toughness was measured as 4.5 MPa m(1/2). We also measured the hardness of the cubic boron nitride and sapphire single crystals for comparison. The average measured hardness for boron suboxide was found to be very close to that of cubic boron nitride under the same loading force. Our results suggest that the boron suboxide could be a new superhard material for industrial applications, surpassed in hardness only by diamond and cubic boron nitride. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Texas Christian Univ, Dept Phys & Astron, Ft Worth, TX 76129 USA. RP He, DW (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Lujan Center, LANL/G-4896-2012 NR 32 TC 156 Z9 159 U1 3 U2 58 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 22 PY 2002 VL 81 IS 4 BP 643 EP 645 DI 10.1063/1.1494860 PG 3 WC Physics, Applied SC Physics GA 574CV UT WOS:000176871600025 ER PT J AU Kazakov, VV Sutin, A Johnson, PA AF Kazakov, VV Sutin, A Johnson, PA TI Sensitive imaging of an elastic nonlinear wave-scattering source in a solid SO APPLIED PHYSICS LETTERS LA English DT Article ID MODULATION; DAMAGE; CRACKS AB We have developed an imaging method for locating isolated nonlinear scattering source(s) in solids. It relies on extracting the nonlinear response of a solid by modulation of a high by a low-frequency wave, and employing moving-window, synchronous detection. The resulting image consists of nonlinear wave reflection profiles with remarkable sensitivity to an isolated elastic nonlinear source(s). In creating the image, we can distinguish between a nonlinear scattering source and other wave scatterers in the material. The method should work equally well for imaging the relative nonlinearity of different regions within a volume. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Russian Acad Sci, Inst Appl Phys, Hydroacoust Lab, Nizhnii Novgorod 603600, Russia. Stevens Inst Technol, Davidson Lab, Hoboken, NJ 07030 USA. RP Johnson, PA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 15 TC 68 Z9 73 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 22 PY 2002 VL 81 IS 4 BP 646 EP 648 DI 10.1063/1.1495081 PG 3 WC Physics, Applied SC Physics GA 574CV UT WOS:000176871600026 ER PT J AU Gai, Z Farnan, GA Pierce, JP Shen, J AF Gai, Z Farnan, GA Pierce, JP Shen, J TI Growth of low-dimensional magnetic nanostructures on an insulator SO APPLIED PHYSICS LETTERS LA English DT Article ID SELF-ORGANIZED GROWTH; PERPENDICULAR MAGNETIZATION; NANOSTRIPE ARRAYS; CO PILLARS; SURFACES; FE; DEPOSITION; CHAINS; RU(0001); AU(111) AB Iron nanometer-scaled wires and ultrathin films have been successfully prepared on an insulating NaCl(001) single-crystal surface by electron beam deposition using different growth conditions. In situ noncontact atomic force microscopy (NC-AFM) shows that the heights and widths of the wires, which are formed by a one-dimensional array of clusters aligned on top of the step edges, are very uniform. The films are atomically flat and are formed due to a high nucleation density achieved through a low temperature growth procedure. (C) 2002 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. Peking Univ, Dept Phys, Beijing 100871, Peoples R China. RP Gai, Z (reprint author), Oak Ridge Natl Lab, Div Solid State, POB 2008, Oak Ridge, TN 37831 USA. RI Gai, Zheng/B-5327-2012 OI Gai, Zheng/0000-0002-6099-4559 NR 33 TC 21 Z9 21 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 22 PY 2002 VL 81 IS 4 BP 742 EP 744 DI 10.1063/1.1495085 PG 3 WC Physics, Applied SC Physics GA 574CV UT WOS:000176871600058 ER PT J AU Tabacchi, G Mundy, CJ Hutter, J Parrinello, M AF Tabacchi, G Mundy, CJ Hutter, J Parrinello, M TI Classical polarizable force fields parametrized from ab initio calculations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-DYNAMICS SIMULATIONS; POTENTIAL EQUALIZATION METHOD; FLUCTUATING CHARGE; IONIC SYSTEMS; ALKALI-HALIDES; SHELL-MODEL; ABSOLUTE ELECTRONEGATIVITY; QUADRUPOLE POLARIZATION; COMPUTER-SIMULATION AB A computationally efficient molecular dynamics implementation of a polarizable force field parametrized from ab initio data is presented. Our formulation, based on a second-order expansion of the energy density, models the density response using Gaussian basis functions derived from density functional linear response theory. Polarization effects are described by the time evolution of the basis function coefficients propagated via an extended Lagrangian formalism. We have devised a general protocol for the parametrization of the force field. We will show that a single parametrization of the model can describe the polarization effects of LiI in the condensed phase. (C) 2002 American Institute of Physics. C1 Univ Insubria, Dipartimento Sci Chim Fis & Matemat, I-22100 Como, Italy. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Zurich, Inst Phys Chem, CH-8057 Zurich, Switzerland. Swiss Fed Inst Technol, CSCS, CH-6928 Manno, Switzerland. ETH Honggerberg, HCI, CH-8093 Zurich, Switzerland. RP Tabacchi, G (reprint author), Univ Insubria, Dipartimento Sci Chim Fis & Matemat, Via Lucini 3, I-22100 Como, Italy. RI Hutter, Juerg/E-9244-2011; tabacchi, gloria/E-1781-2016 OI tabacchi, gloria/0000-0002-1988-6775 NR 89 TC 49 Z9 49 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 JUL 22 PY 2002 VL 117 IS 4 BP 1416 EP 1433 DI 10.1063/1.1487822 PG 18 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DM UT WOS:000176758200003 ER PT J AU Grossman, JC AF Grossman, JC TI Benchmark quantum Monte Carlo calculations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-ENERGIES; FIXED-NODE; ATOMIZATION ENERGIES; 2ND-ROW COMPOUNDS; GAUSSIAN-1 THEORY; WAVE-FUNCTIONS; FIRST-ROW; SET; ATOMS; PSEUDOPOTENTIALS AB Fixed node diffusion Monte Carlo (FN-DMC) atomization energies are calculated for a benchmark set of 55 molecules. Using single determinant trial wave functions, comparison with experiment yields an average absolute deviation of 2.9 kcal/mol, placing this simplest form of FN-DMC roughly at the same level of accuracy as the CCSD(T)/aug-cc-pVQZ method. However, unlike perturbative wave function expansion approaches, FN-DMC is applicable to systems containing thousands of valence electrons. For the P-2 molecule, a number of possible sources of error are explored in detail. Results show that the main error is due to the fixed-node approximation and that this can be improved significantly with multireference trial wave functions. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 33 TC 95 Z9 97 U1 0 U2 7 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 JUL 22 PY 2002 VL 117 IS 4 BP 1434 EP 1440 DI 10.1063/1.1487829 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DM UT WOS:000176758200004 ER PT J AU Koput, J Carter, S Peterson, KA Theodorakopoulos, G AF Koput, J Carter, S Peterson, KA Theodorakopoulos, G TI The ab initio potential energy surface and vibrational-rotational energy levels of X-2 Sigma(+) MgOH SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; LASER SPECTROSCOPY; STATES; MONOHYDROXIDES; X(2)SIGMA(+); (2)SIGMA(+); SPECTRUM; BORON; MODE AB The equilibrium structure and potential energy surface of magnesium monohydroxide in its ground doublet state, X (2)Sigma(+) MgOH, have been determined from large-scale ab initio calculations using the spin-restricted coupled-cluster method, RCCSD(T), with basis sets of double-through quintuple-zeta quality. The effects of core-electron correlation on the calculated molecular parameters were investigated. The vibrational-rotational energy levels of various MgOH isotopomers were calculated using the variational method. The spectroscopic constants determined are found to be in remarkably good agreement with experimental data. (C) 2002 American Institute of Physics. C1 Adam Mickiewicz Univ Poznan, Dept Chem, PL-60780 Poznan, Poland. Univ Reading, Dept Chem, Reading RG6 2AD, Berks, England. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Washington State Univ, Dept Chem, Richland, WA USA. Natl Hellen Res Fdn, Inst Theoret & Phys Chem, GR-11635 Athens, Greece. RP Koput, J (reprint author), Adam Mickiewicz Univ Poznan, Dept Chem, PL-60780 Poznan, Poland. NR 35 TC 12 Z9 12 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 JUL 22 PY 2002 VL 117 IS 4 BP 1529 EP 1535 DI 10.1063/1.1485721 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DM UT WOS:000176758200016 ER PT J AU Goldfield, EM Gray, SK AF Goldfield, EM Gray, SK TI A quantum dynamics study of H-2+OH -> H2O+H employing the Wu-Schatz-Lendvay-Fang-Harding potential function and a four-atom implementation of the real wave packet method SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CUMULATIVE REACTION PROBABILITY; TRANSITION-STATE THEORY; TOTAL ANGULAR-MOMENTUM; H-2+OH REACTION; VECTOR PARAMETRIZATION; RATE CONSTANTS; MECHANICS; SCATTERING; APPROXIMATION; HYDROGEN AB We carry out numerous six-dimensional wave packet propagations for H-2+OH-->H2O+H on the ab initio based, Wu-Schatz-Lendvay-Fang-Harding potential energy function. For comparison, some calculations are also carried out on the older but more widely studied potential function of Walch, Dunning, Schatz, and Elgersma. The energy dependence of the total angular momentum J=0 cumulative reaction probability is obtained and J-shifting is used to estimate the bimolecular rate constant as a function of temperature. Some J>0 calculations are also carried out. A novel J-shifting procedure, designed to more accurately describe the effects of angular momentum, is introduced. We compare our results with transition state theory calculations and experiment. An important feature of our work is the development of an efficient, four-atom, parallel implementation of the real wave packet method, augmented with a recently developed finite difference method. (C) 2002 American Institute of Physics. 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. NR 38 TC 65 Z9 65 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 JUL 22 PY 2002 VL 117 IS 4 BP 1604 EP 1613 DI 10.1063/1.1487824 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DM UT WOS:000176758200023 ER PT J AU Guo, R Balasubramanian, K Wang, XF Andrews, L AF Guo, R Balasubramanian, K Wang, XF Andrews, L TI Infrared vibronic absorption spectrum and spin-orbit calculations of the upper spin-orbit component of the Au-3 ground state SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; POTENTIAL-ENERGY SURFACES; LOW-LYING STATES; ELECTRONIC STATES; AU3; TUNGSTEN; MATRICES; ATOMS; AG AB Laser-ablated gold co-deposited with excess neon at 3.5 K produces a new sharp 2025.5-cm(-1) absorption. Annealing to 8 K increases this absorption ten-fold and produces six weaker associated vibronic bands with 172- and 118-cm(-1) intervals. Relativistic configurations (RCI) computations are carried out for several electronic states lying below 4.4 eV. These calculations show that the spin-orbit effect stabilizes the D-3h structure and quenches Jahn-Teller distortion. They also predict a 0.2-eV spin-orbit splitting of the Au-3 ground state, which is in excellent agreement with the 2025.5-cm(-1) neon matrix band origin. We have also confirmed the assignment of the A-X system at 1.8 eV observed by Bishea and Morse. The observed vibronic intervals are in accord with calculated a(1)(') and e(') stretching fundamentals and they confirm the D-3h geometry for Au-3. This work reports the first observation of the ground-state spin-orbit splitting of a heavy metal trimer. (C) 2002 American Institute of Physics. C1 Univ Calif Davis, Dept Appl Sci, Coll Engn, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. Univ Virginia, Dept Chem, Charlottesville, VA 22904 USA. RP Guo, R (reprint author), Univ Calif Davis, Dept Appl Sci, Coll Engn, L-794, Livermore, CA 94550 USA. RI Guo, Rui/F-2384-2012 NR 26 TC 29 Z9 29 U1 3 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 JUL 22 PY 2002 VL 117 IS 4 BP 1614 EP 1620 DI 10.1063/1.1487815 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DM UT WOS:000176758200024 ER PT J AU Guo, JH Vayssieres, L Persson, C Ahuja, R Johansson, B Nordgren, J AF Guo, JH Vayssieres, L Persson, C Ahuja, R Johansson, B Nordgren, J TI Polarization-dependent soft-x-ray absorption of highly oriented ZnO microrod arrays SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID ROOM-TEMPERATURE; GROWTH AB Polarization-dependent x-ray absorption measurements were performed on crystalline ZnO three-dimensional arrays consisting of highly oriented microrods as well as on particulate thin films consisting of monodisperse spherical nanoparticles. Strong anisotropic effects have been observed for the highly oriented ZnO rods, but not for the isotropic spherical nanoparticles. Full-potential calculations of the orbital-resolved x-ray absorption of a ZnO wurtzite periodic crystal, including Zn 3d among the valence states, show very good agreement with the experimental findings. Comprehensive fundamental knowledge of the electronic structure of ZnO is obtained by probing and demonstrating the orbital symmetry of oxygen and its contribution to the conduction band of this important II-VI semiconductor. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Uppsala Univ, Dept Phys, SE-75121 Uppsala, Sweden. Univ Texas, Dept Mat Sci & Engn, Austin, TX 78712 USA. RP Guo, JH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 17 TC 77 Z9 77 U1 0 U2 18 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 JUL 22 PY 2002 VL 14 IS 28 BP 6969 EP 6974 AR PII S0953-8984(02)36147-2 DI 10.1088/0953-8984/14/28/308 PG 6 WC Physics, Condensed Matter SC Physics GA 582PN UT WOS:000177360500013 ER PT J AU Kiplinger, JL Morris, DE Scott, BL Burns, CJ AF Kiplinger, JL Morris, DE Scott, BL Burns, CJ TI The first f-element ketimido complex: Synthesis and characterization of (C5Me5)(2)U(-N==CPh2)(2) SO ORGANOMETALLICS LA English DT Article ID STRUCTURAL CHARACTERIZATION; REACTIVITY; INSERTION; CHEMISTRY; DYNAMICS; ALKYNES AB The first example of an f-element ketimido complex has been prepared. Complex 2 is surprisingly unreactive and displays unusual electronic properties. The physical properties and chemical stability of this complex suggest higher U-N bond order due to significant ligand to metal pi-bonding in the uranium ketimido interactions. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. RI Kiplinger, Jaqueline/B-9158-2011; Morris, David/A-8577-2012; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 20 TC 67 Z9 67 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 22 PY 2002 VL 21 IS 15 BP 3073 EP 3075 DI 10.1021/om020381k PG 3 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 574BV UT WOS:000176869300001 ER PT J AU Selg, P Brintzinger, HH Schultz, M Andersen, RA AF Selg, P Brintzinger, HH Schultz, M Andersen, RA TI Solution infrared spectroscopic studies on equilibrium reactions of CO with the decamethylmetallocenes CP*M-2(II), where M-II = Mg, Ca, Sr, Ba, Sm, Eu, Yb SO ORGANOMETALLICS LA English DT Article ID LOW-TEMPERATURE MATRICES; CARBON-MONOXIDE; MOLECULAR-STRUCTURES; CRYSTAL-STRUCTURE; COMPLEXES; URANIUM; COORDINATION; METALLOCENES; IR; DIFFRACTION AB The reaction of CO with the alkaline-earth decamethylmetallocenes CP*M-2(II), where M-II is Mg, Ca, Sr, or Ba, and the bivalent lanthanide decamethylmetallocenes, where M-II is Sm, Eu, or Yb, have been studied in toluene or methylcyclohexane solution in a high-pressure infrared cell. In all cases, except for Mg and Ba, the monocarbonyl complex Cp*2MCO is observed to form under CO pressure. The CO stretching frequencies for CP*2CaCO (2158 cm(-1)), CP*2SrCO (2159 cm(-1)), CP*2SmCO (2153 cm(-1)), and CP*2EuCO (2150 cm(-1)) are greater than that of free CO (2134 cm(-1) in toluene or methylcyclohexane). In contrast, CP*2YbCO has nu(CO) 2114 cm(-1), below that of free CO. This 1:1 complex is formed at low CO pressure (<2 bar); at higher CO pressures the 1:2 adduct Cp*Yb-2(CO)2 with an even lower ν(CO) value of 2072 cm(-1) predominates. Equilibrium constants were determined as a function of pressure and temperature for the equilibria Cp*M-2(II)(solv) + nCO(gas or solv) &REVARR; Cp*M-2(II)(CO)(n)(solv), with M-II = Ca, Eu, Yb. The thermodynamic constants &UDelta;H&DEG;, &UDelta;S&DEG;, and &UDelta;G&DEG; for the formation of each species, extracted from the changes in the intensity of the corresponding IR absorption bands, indicate weak M-II-CO binding. Models to account for the bonding in these metallocene CO adducts are discussed. C1 Univ Konstanz, Fachbereich Chem, D-78457 Constance, Germany. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Brintzinger, HH (reprint author), Univ Konstanz, Fachbereich Chem, D-78457 Constance, Germany. RI Schultz, Madeleine/B-4131-2011 OI Schultz, Madeleine/0000-0001-7967-5147 NR 50 TC 19 Z9 19 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 22 PY 2002 VL 21 IS 15 BP 3100 EP 3107 DI 10.1021/om011045r PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 574BV UT WOS:000176869300009 ER PT J AU Weber, F Sitzmann, H Schultz, M Sofield, CD Andersen, RA AF Weber, F Sitzmann, H Schultz, M Sofield, CD Andersen, RA TI Synthesis and solid state structures of sterically crowded d(0)-metallocenes of magnesium, calcium, strontium, barium, samarium, and ytterbium SO ORGANOMETALLICS LA English DT Article ID ALKALINE-EARTH METALLOCENES; X-RAY STRUCTURES; CRYSTAL-STRUCTURE; CYCLOPENTADIENYL LIGANDS; MOLECULAR-STRUCTURES; COMPLEXES; CHEMISTRY; DERIVATIVES; EUROPIUM; PHASE AB The base-free metallocenes [1,2,4-(Me3C)(3)C5H2](2)Ca, [1,2,4-(Me3C)(3)C5H2](2)Sr, and [1,2,4-(Me3C)(3)C5H2](2)Ba have been prepared by reaction of MI2 and the sodium or potassium salt of the substituted cyclopentadiene an ion in THF, while [1,2,4-(Me3C)(3)C5H2](2)Mg was prepared from the cyclopentadiene, 1,2,4-(Me3C)(3)C5H3, and dibutylmagnesium. The structures of the magnescene and calcocene as well as those of the previously prepared ytterbium and analgoues havebeen. determined by X-ray crystallography. The metallocenes are slightly bent in the solid state with centroid-metal-centroid angles ranging from 163degrees to 173degrees. Adducts of the strontocene and samarocene with THF and of the barocene, samarocene, and ytterbocene with 2,6-Me2C6H3NC have also been prepared and characterized. The massive bulk of the [1,2,4-(Me3C)(3)C5H2](-) ligand leads to behavior quite different from that previously observed for base-free metallocenes of the alkaline earths and divalent lanthanides. C1 Univ Kaiserslautern, FB Chem, D-67663 Kaiserslautern, Germany. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Sitzmann, H (reprint author), Univ Kaiserslautern, FB Chem, Erwin Schrodinger Str, D-67663 Kaiserslautern, Germany. RI Schultz, Madeleine/B-4131-2011 OI Schultz, Madeleine/0000-0001-7967-5147 NR 42 TC 59 Z9 59 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 22 PY 2002 VL 21 IS 15 BP 3139 EP 3146 DI 10.1021/om0108705 PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 574BV UT WOS:000176869300012 ER PT J AU Ovchinnikov, MV Wang, XP Schultz, AJ Guzei, IA Angelici, RJ AF Ovchinnikov, MV Wang, XP Schultz, AJ Guzei, IA Angelici, RJ TI Metal control of the reaction site in reactions of [{(eta(5)-C5H3)(2)(SiMe2)(2)}M-2(CO)(4)(mu-H)](+) (M = Fe, Ru, Os) with nucleophilic amines SO ORGANOMETALLICS LA English DT Article ID THERMODYNAMIC ACIDITY; COMPLEXES; PROTON; <((ETA(5)-C5H3)(2)(SIME2)(2))RU-2(CO)(4)(MU-H)>(+); HYDRIDES; ANIONS; LIGAND; BOND AB Complexes [{(eta(5)-C5H3)(2)(SiMe2)(2)}M-2(CO)(4)(mu-H)]+BF4- (M = Fe, Ru, Os; 1a-cH(+)BF(4)(-)), which feature a protonated metal-metal bond, were synthesized. While the Fe and Os complexes react with nucleophilic amines (ammonia, MeNH2, Me2NH, Et3N, morpholine) to give the deprotonated complexes {(eta(5)-C5H3)(2)(SiMe2)(2)}M-2(CO)(4), the Ru complex reacts with amines by undergoing attack at a CO ligand. These differences in reactivity can be understood by considering the CO ligands in the Ru complex to be more electrophilic than those in the analogous Fe and Os complexes, as indicated by the v(CO) values. Molecular structures of 1a-cH(+)BF(4)(-), as determined by X-ray diffraction studies, and [{(eta(5)- C5H3)(2)(SiMe2)(2)}Ru-2(CO)(4)(mu-H)]+OTf- (1bD(+)TfO(-)), as determined by a neutron diffraction study, show that the bridging hydride ligand is sterically concealed and therefore slow to undergo deprotonation upon reaction with bases. C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Argonne Natl Lab, IPNS, Argonne, IL 60439 USA. RP Angelici, RJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. NR 28 TC 21 Z9 21 U1 2 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 22 PY 2002 VL 21 IS 15 BP 3292 EP 3296 DI 10.1021/om020167w PG 5 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 574BV UT WOS:000176869300033 ER PT J AU Acosta, D Affolder, T Akimoto, H Albrow, MG Ambrose, D Amidei, D Anikeev, K Antos, J Apollinari, G Arisawa, T Artikov, A Asakawa, T Ashmanskas, W Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Bailey, S de Barbaro, P Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Barone, M Bauer, G Bedeschi, F Belforte, S Bell, WH Bellettini, G Bellinger, J Benjamin, D Bensinger, J Beretvas, A Berge, JP Berryhill, J Bhatti, A Binkley, M Bishai, M Bisello, D Blair, RE Blocker, C Bloom, K Blumenfeld, B Blusk, SR Bocci, A Bodek, A Bolla, G Bonushkin, Y Bortoletto, D Boudreau, J Brandl, A van den Brink, S Bromberg, C Brozovic, M Brubaker, E Bruner, N Budagov, J Budd, HS Burkett, K Busetto, G Byon-Wagner, A Byrum, KL Cabrera, S Calafiura, P Campbell, M Carithers, W Carlsmith, D Carlson, J Caskey, W Castro, A Cauz, D Cerri, A Chan, AW Chang, PS Chang, PT Chapman, J Chen, C Chen, YC Cheng, MT Chertok, M Chiarelli, G Chirikov-Zorin, I Chlachidze, G Chlebana, F Christofek, L Chu, ML Chung, JY Chung, WH Chung, YS Ciobanu, CI Clark, AG Colijn, AP Connolly, A Convery, M Conway, J Cordelli, M Cranshaw, J Culbertson, R Dagenhart, D D'Auria, S Dell'Agnello, S Dell'Orso, M Demortier, L Deninno, M DeJongh, F Demers, S Derwent, PF Devlin, T Dittmann, JR Dominguez, A Donati, S Done, J D'Onofrio, M Dorigo, T Dunietz, I Eddy, N Einsweiler, K Elias, JE Engels, E Erbacher, R Errede, D Errede, S Fan, Q Fang, HC Feild, RG Fernandez, JP Ferretti, C Field, RD Fiori, I Flaugher, B Foster, GW Franklin, M Freeman, J Friedman, J Frisch, HJ Fukui, Y Furic, I Galeotti, S Gallas, A Gallinaro, M Gao, T Garcia-Sciveres, M Garfinkel, AF Gatti, P Gay, C Gerdes, DW Gerstein, E Giannetti, P Giolo, K Glagolev, V Glenzinski, D Gold, M Goldstein, J Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Green, C Grim, G Gris, P Grosso-Pilcher, C Guenther, M Guillian, G da Costa, JG Haas, RM Haber, C Hahn, SR Hall, C Handa, T Handler, R Happacher, F Hara, K Hardman, AD Harris, RM Hartmann, F Hatakeyama, K Hauser, J Heinrich, J Heiss, A Herndon, M Hill, C Hocker, A Hoffman, KD Hollebeek, R Holloway, L Huffman, BT Hughes, R Huston, J Huth, J Ikeda, H Incandela, J Introzzi, G Ivanov, A Iwai, J Iwata, Y James, E Jones, M Joshi, U Kambara, H Kamon, T Kaneko, T Unel, MK Karr, K Kartal, S Kasha, H Kato, Y Keaffaber, TA Kelley, K Kelly, M Kennedy, RD Khazins, D Kikuchi, T Kilminster, B Kim, BJ Kim, DH Kim, HS Kim, MJ Kim, SB Kim, SH Kim, YK Kirby, M Kirk, M Kirsch, L Klimenko, S Koehn, P Kondo, K Kongisberg, J Korn, A Korytov, A Kovacs, E Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kurino, K Kuwabara, T Laasanen, AT Lai, N Lami, S Lammel, S Lancaster, J Lancaster, M Lander, R Lath, A Latino, G LeCompte, T Lee, K Lee, SW Leone, S Lewis, JD Lindgren, M Liss, TM Litvintsev, DO Liu, JB Liu, T Liu, YC Lobban, O Lockyer, NS Loken, J Loreti, M Lucchesi, D Lukens, P Lusin, S Lyons, L Lys, J McIntyre, P Madrak, R Maeshima, K Maksimovic, P Malferrari, L Manca, G Mangano, M Mariotti, M Martignon, G Martin, A Martin, V Matthews, JAJ Mazzanti, P McFarland, KS Menguzzato, M Menzione, A Merkel, P Mesropian, C Meyer, A Miao, T Miller, JS Miller, R Minato, H Miscetti, S Mishina, M Mitselmakher, G Miyazaki, Y Moggi, N Moore, E Moore, R Morita, Y Moulik, T Mukherjee, A Mulhearn, M Muller, T Munar, A Murat, P Murgia, S Nachtman, J Nagaslaev, V Nahn, S Nakada, H Nakano, I Nelson, C Nelson, T Neu, C Neuberger, D Newman-Holmes, C Ngan, CYP Niu, H Nodulman, L Nomerotski, A Oh, SH Oh, YD Ohmoto, T Ohsugi, T Oishi, R Okusawa, T Olsen, J Orejudos, W Pagliarone, C Palmonari, F Paoletti, R Papadimitriou, V Partos, D Patrick, J Pauletta, G Paus, C Paulini, M Pellett, D Pescara, L Phillips, TJ Piacentino, G Pitts, KT Pompos, A Pope, G Pratt, T Prokoshin, F Proudfoot, J Ptohos, F Pukhov, O Punzi, G Rakitine, A Ratnikov, F Reher, D Reichold, A Renton, P Ribon, A Riegler, W Rimondi, F Ristori, L Riveline, M Robertson, WJ Rodrigo, T Rolli, S Rosenson, L Roser, R Rossin, R Rott, C Roy, A Ruiz, A Safonov, A St Denis, R Sakumoto, WK Saltzberg, D Sanchez, C Sansoni, A Santi, L Sato, H Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Scodellaro, L Scott, A Scribano, A Sedov, A Segler, S Seidel, S Seiya, Y Semenov, A Semeria, F Shah, T Shapiro, MD Shepard, PF Shibayama, T Shimojima, M Shochet, M Sidoti, A Siegrist, J Sill, A Sinervo, P Singh, P Slaughter, AJ Sliwa, K Smith, C Snider, FD Solodsky, A Spalding, J Speer, T Spezziga, M Sphicas, P Spiegel, L Spinella, F Spiropulu, M Steele, J Stefanini, A Strologas, J Strumia, F Stuart, D Sumorok, K Suzuki, T Takano, T Takashima, R Takikawa, K Tamburello, P Tanaka, M Tannenbaum, B Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thompson, AS Thomson, E Thurman-Keup, R Tipton, P Tkaczyk, S Toback, D Tollefson, K Tollestrup, A Tonelli, D Tonnesmann, M Toyoda, H Trischuk, W de Troconiz, JF Tseng, J Tsybychev, D Turini, N Ukegawa, F Vaiciulis, T Valls, J Vataga, E Vejcik, S Velev, G Veramendi, G Vidal, R Vila, I Vilar, R Volobouev, I von der Mey, M Vucinic, D Wagner, RG Wagner, RL Wagner, W Wallace, NB Wan, Z Wang, C Wang, MJ Wang, SM Ward, B Waschke, S Watanabe, T Waters, D Watts, T Webb, R Webber, M Wenzel, H Wester, WC Wicklund, AB Wicklund, E Wilkes, T Williams, HH Wilson, P Winer, BL Winn, D Wolbers, S Wolinski, D Wolinski, J Wolinski, S Worm, S Wu, X Wyss, J Yang, UK Yao, W Yeh, GP Yeh, P Yoh, J Yosef, C Yoshida, T Yu, I Yu, S Yu, Z Yun, JC Zanetti, A Zetti, F AF Acosta, D Affolder, T Akimoto, H Albrow, MG Ambrose, D Amidei, D Anikeev, K Antos, J Apollinari, G Arisawa, T Artikov, A Asakawa, T Ashmanskas, W Azfar, F Azzi-Bacchetta, P Bacchetta, N Bachacou, H Badgett, W Bailey, S de Barbaro, P Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Barone, M Bauer, G Bedeschi, F Belforte, S Bell, WH Bellettini, G Bellinger, J Benjamin, D Bensinger, J Beretvas, A Berge, JP Berryhill, J Bhatti, A Binkley, M Bishai, M Bisello, D Blair, RE Blocker, C Bloom, K Blumenfeld, B Blusk, SR Bocci, A Bodek, A Bolla, G Bonushkin, Y Bortoletto, D Boudreau, J Brandl, A van den Brink, S Bromberg, C Brozovic, M Brubaker, E Bruner, N Budagov, J Budd, HS Burkett, K Busetto, G Byon-Wagner, A Byrum, KL Cabrera, S Calafiura, P Campbell, M Carithers, W Carlsmith, D Carlson, J Caskey, W Castro, A Cauz, D Cerri, A Chan, AW Chang, PS Chang, PT Chapman, J Chen, C Chen, YC Cheng, MT Chertok, M Chiarelli, G Chirikov-Zorin, I Chlachidze, G Chlebana, F Christofek, L Chu, ML Chung, JY Chung, WH Chung, YS Ciobanu, CI Clark, AG Colijn, AP Connolly, A Convery, M Conway, J Cordelli, M Cranshaw, J Culbertson, R Dagenhart, D D'Auria, S Dell'Agnello, S Dell'Orso, M Demortier, L Deninno, M DeJongh, F Demers, S Derwent, PF Devlin, T Dittmann, JR Dominguez, A Donati, S Done, J D'Onofrio, M Dorigo, T Dunietz, I Eddy, N Einsweiler, K Elias, JE Engels, E Erbacher, R Errede, D Errede, S Fan, Q Fang, HC Feild, RG Fernandez, JP Ferretti, C Field, RD Fiori, I Flaugher, B Foster, GW Franklin, M Freeman, J Friedman, J Frisch, HJ Fukui, Y Furic, I Galeotti, S Gallas, A Gallinaro, M Gao, T Garcia-Sciveres, M Garfinkel, AF Gatti, P Gay, C Gerdes, DW Gerstein, E Giannetti, P Giolo, K Glagolev, V Glenzinski, D Gold, M Goldstein, J Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Green, C Grim, G Gris, P Grosso-Pilcher, C Guenther, M Guillian, G da Costa, JG Haas, RM Haber, C Hahn, SR Hall, C Handa, T Handler, R Happacher, F Hara, K Hardman, AD Harris, RM Hartmann, F Hatakeyama, K Hauser, J Heinrich, J Heiss, A Herndon, M Hill, C Hocker, A Hoffman, KD Hollebeek, R Holloway, L Huffman, BT Hughes, R Huston, J Huth, J Ikeda, H Incandela, J Introzzi, G Ivanov, A Iwai, J Iwata, Y James, E Jones, M Joshi, U Kambara, H Kamon, T Kaneko, T Unel, MK Karr, K Kartal, S Kasha, H Kato, Y Keaffaber, TA Kelley, K Kelly, M Kennedy, RD Khazins, D Kikuchi, T Kilminster, B Kim, BJ Kim, DH Kim, HS Kim, MJ Kim, SB Kim, SH Kim, YK Kirby, M Kirk, M Kirsch, L Klimenko, S Koehn, P Kondo, K Kongisberg, J Korn, A Korytov, A Kovacs, E Kroll, J Kruse, M Krutelyov, V Kuhlmann, SE Kurino, K Kuwabara, T Laasanen, AT Lai, N Lami, S Lammel, S Lancaster, J Lancaster, M Lander, R Lath, A Latino, G LeCompte, T Lee, K Lee, SW Leone, S Lewis, JD Lindgren, M Liss, TM Litvintsev, DO Liu, JB Liu, T Liu, YC Lobban, O Lockyer, NS Loken, J Loreti, M Lucchesi, D Lukens, P Lusin, S Lyons, L Lys, J McIntyre, P Madrak, R Maeshima, K Maksimovic, P Malferrari, L Manca, G Mangano, M Mariotti, M Martignon, G Martin, A Martin, V Matthews, JAJ Mazzanti, P McFarland, KS Menguzzato, M Menzione, A Merkel, P Mesropian, C Meyer, A Miao, T Miller, JS Miller, R Minato, H Miscetti, S Mishina, M Mitselmakher, G Miyazaki, Y Moggi, N Moore, E Moore, R Morita, Y Moulik, T Mukherjee, A Mulhearn, M Muller, T Munar, A Murat, P Murgia, S Nachtman, J Nagaslaev, V Nahn, S Nakada, H Nakano, I Nelson, C Nelson, T Neu, C Neuberger, D Newman-Holmes, C Ngan, CYP Niu, H Nodulman, L Nomerotski, A Oh, SH Oh, YD Ohmoto, T Ohsugi, T Oishi, R Okusawa, T Olsen, J Orejudos, W Pagliarone, C Palmonari, F Paoletti, R Papadimitriou, V Partos, D Patrick, J Pauletta, G Paus, C Paulini, M Pellett, D Pescara, L Phillips, TJ Piacentino, G Pitts, KT Pompos, A Pope, G Pratt, T Prokoshin, F Proudfoot, J Ptohos, F Pukhov, O Punzi, G Rakitine, A Ratnikov, F Reher, D Reichold, A Renton, P Ribon, A Riegler, W Rimondi, F Ristori, L Riveline, M Robertson, WJ Rodrigo, T Rolli, S Rosenson, L Roser, R Rossin, R Rott, C Roy, A Ruiz, A Safonov, A St Denis, R Sakumoto, WK Saltzberg, D Sanchez, C Sansoni, A Santi, L Sato, H Savard, P Savoy-Navarro, A Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Scodellaro, L Scott, A Scribano, A Sedov, A Segler, S Seidel, S Seiya, Y Semenov, A Semeria, F Shah, T Shapiro, MD Shepard, PF Shibayama, T Shimojima, M Shochet, M Sidoti, A Siegrist, J Sill, A Sinervo, P Singh, P Slaughter, AJ Sliwa, K Smith, C Snider, FD Solodsky, A Spalding, J Speer, T Spezziga, M Sphicas, P Spiegel, L Spinella, F Spiropulu, M Steele, J Stefanini, A Strologas, J Strumia, F Stuart, D Sumorok, K Suzuki, T Takano, T Takashima, R Takikawa, K Tamburello, P Tanaka, M Tannenbaum, B Tecchio, M Teng, PK Terashi, K Tesarek, RJ Tether, S Thompson, AS Thomson, E Thurman-Keup, R Tipton, P Tkaczyk, S Toback, D Tollefson, K Tollestrup, A Tonelli, D Tonnesmann, M Toyoda, H Trischuk, W de Troconiz, JF Tseng, J Tsybychev, D Turini, N Ukegawa, F Vaiciulis, T Valls, J Vataga, E Vejcik, S Velev, G Veramendi, G Vidal, R Vila, I Vilar, R Volobouev, I von der Mey, M Vucinic, D Wagner, RG Wagner, RL Wagner, W Wallace, NB Wan, Z Wang, C Wang, MJ Wang, SM Ward, B Waschke, S Watanabe, T Waters, D Watts, T Webb, R Webber, M Wenzel, H Wester, WC Wicklund, AB Wicklund, E Wilkes, T Williams, HH Wilson, P Winer, BL Winn, D Wolbers, S Wolinski, D Wolinski, J Wolinski, S Worm, S Wu, X Wyss, J Yang, UK Yao, W Yeh, GP Yeh, P Yoh, J Yosef, C Yoshida, T Yu, I Yu, S Yu, Z Yun, JC Zanetti, A Zetti, F CA CDF Collaboration TI Search for new physics in photon-lepton events in p(p)over-bar collisions at root s=1.8 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID MISSING TRANSVERSE ENERGY; DIPHOTON EVENTS; FERMILAB; SUPERSYMMETRY; PYTHIA-5.7; DETECTOR; COLLIDER; MASS; JETS AB We present the results of a search in p (p) over bar collisions at roots=1.8 TeV for anomalous production of events containing a photon and a lepton (e or mu ), both with large transverse energy, using 86 pb (-1) of data collected with the Collider Detector at Fermilab during the 1994-1995 collider run at the Fermilab Tevatron. The presence of large missing transverse energy (is not an element of(T)), additional photons, or additional leptons in these events is also analyzed. The results are consistent with standard model expectations, with the possible exception of photon-lepton events with large is not an element of(T), for which the observed total is 16 events and the expected mean total is 7.6+/-0.7 events. C1 Univ Florida, Gainesville, FL 32611 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Waseda Univ, Tokyo 169, Japan. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Penn, Philadelphia, PA 19104 USA. Univ Michigan, Ann Arbor, MI 48109 USA. MIT, Cambridge, MA 02139 USA. Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Joint Nucl Res Inst, RU-141980 Dubna, Russia. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. Harvard Univ, Cambridge, MA 02138 USA. Univ Rochester, Rochester, NY 14627 USA. Purdue Univ, W Lafayette, IN 47907 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Calif Davis, Davis, CA 95616 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Pisa, Ist Nazl Fis Nucl, I-56100 Pisa, Italy. Scuola Normale Super Pisa, I-56100 Pisa, Italy. Univ Trieste Udine, Ist Nazl Fis Nucl, Udine, Italy. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Univ Wisconsin, Madison, WI 53706 USA. Duke Univ, Durham, NC 27708 USA. Brandeis Univ, Waltham, MA 02254 USA. Rockefeller Univ, New York, NY 10021 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Univ New Mexico, Albuquerque, NM 87131 USA. Michigan State Univ, E Lansing, MI 48824 USA. Univ Bologna, Ist Nazl Fis Nucl, I-40127 Bologna, Italy. Univ Illinois, Urbana, IL 61801 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Geneva, CH-1211 Geneva 4, Switzerland. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas Tech Univ, Lubbock, TX 79409 USA. Tufts Univ, Medford, MA 02155 USA. Texas A&M Univ, College Stn, TX 77843 USA. Yale Univ, New Haven, CT 06520 USA. High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 305, Japan. Northwestern Univ, Evanston, IL 60208 USA. Carnegie Mellon Univ, Pittsburgh, PA 15218 USA. Hiroshima Univ, Higashihiroshima 724, Japan. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. Osaka City Univ, Osaka 588, 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. Univ Toronto, Inst Particle Phys, Toronto, ON M5S 1A7, Canada. Univ Cantabria, CSIC, Inst Fis Cantabria, E-39005 Santander, Spain. RP Acosta, D (reprint author), Univ Florida, Gainesville, FL 32611 USA. RI Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Cabrera Urban, Susana/H-1376-2015; Prokoshin, Fedor/E-2795-2012; Introzzi, Gianluca/K-2497-2015; Gorelov, Igor/J-9010-2015; Lancaster, Mark/C-1693-2008; Vucinic, Dejan/C-2406-2008; Nomerotski, Andrei/A-5169-2010; Ruiz, Alberto/E-4473-2011; St.Denis, Richard/C-8997-2012; Azzi, Patrizia/H-5404-2012; manca, giulia/I-9264-2012; Punzi, Giovanni/J-4947-2012; Chiarelli, Giorgio/E-8953-2012; Ivanov, Andrew/A-7982-2013; Kim, Soo-Bong/B-7061-2014; Gallas Torreira, Abraham Antonio/K-6508-2014 OI Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Prokoshin, Fedor/0000-0001-6389-5399; Introzzi, Gianluca/0000-0002-1314-2580; Gorelov, Igor/0000-0001-5570-0133; Ruiz, Alberto/0000-0002-3639-0368; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Chiarelli, Giorgio/0000-0001-9851-4816; Ivanov, Andrew/0000-0002-9270-5643; Gallas Torreira, Abraham Antonio/0000-0002-2745-7954 NR 31 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 JUL 22 PY 2002 VL 89 IS 4 AR 041802 DI 10.1103/PhysRevLett.89.041802 PG 7 WC Physics, Multidisciplinary SC Physics GA 572HQ UT WOS:000176768700007 PM 12144476 ER PT J AU Canton, SE Yencha, AJ Kukk, E Bozek, JD Lopes, MCA Snell, G Berrah, N AF Canton, SE Yencha, AJ Kukk, E Bozek, JD Lopes, MCA Snell, G Berrah, N TI Experimental evidence of a dynamic Jahn-Teller effect in C-60 (+) SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; PHOTOELECTRON-SPECTROSCOPY; ABSORPTION-SPECTRA; ICOSAHEDRAL C-60; SOLID C60; BUCKMINSTERFULLERENE; FULLERENES; BANDS; SUPERCONDUCTIVITY; MOLECULES AB Detailed analysis of the highest occupied molecular orbital band shape in the photoelectron spectrum of gaseous C-60 reveals a dynamic Jahn-Teller effect in the ground state of C-60(+) . The direct observation of three tunneling states asserts a D-3d geometry for the isolated cation, originating from a strong vibronic coupling. These results show that the ionic motion plays an important role in the electron-phonon interaction. C1 Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, ALS, Berkeley, CA 94720 USA. SUNY Albany, Dept Chem, Albany, NY 12222 USA. Univ Oulu, Dept Phys Sci, FIN-90570 Oulu, Finland. Univ Fed Juiz de Fora, ICE, Dept Fis, BR-36036330 Juiz De Fora, MG, Brazil. RP Canton, SE (reprint author), Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. RI Bozek, John/E-4689-2010; Bozek, John/E-9260-2010; Canton, Sophie/A-8432-2016 OI Bozek, John/0000-0001-7486-7238; NR 42 TC 28 Z9 28 U1 0 U2 16 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 JUL 22 PY 2002 VL 89 IS 4 AR 045502 DI 10.1103/PhysRevLett.89.045502 PG 4 WC Physics, Multidisciplinary SC Physics GA 572HQ UT WOS:000176768700019 PM 12144488 ER PT J AU Depierreux, S Labaune, C Fuchs, J Pesme, D Tikhonchuk, VT Baldis, HA AF Depierreux, S Labaune, C Fuchs, J Pesme, D Tikhonchuk, VT Baldis, HA TI Langmuir decay instability cascade in laser-plasma experiments SO PHYSICAL REVIEW LETTERS LA English DT Article ID STIMULATED RAMAN-SCATTERING; INHOMOGENEOUS COLLISIONAL PLASMAS; INERTIAL CONFINEMENT FUSION; THOMSON SCATTERING; BRILLOUIN-SCATTERING; HOT-SPOTS; SATURATION; WAVES; BEAM; BEHAVIOR AB Thomson scattering has been used to investigate the nonlinear evolution of electron plasma waves (EPWs) generated by stimulated Raman scattering (SRS). Two complementary diagnostics demonstrate the occurrence of the cascade of Langmuir decay instabilities (LDI). The EPW wave-number spectrum displays an asymmetric broadening towards small wave numbers, interpreted as a signature of the secondary EPWs produced in the LDI cascade. The number of cascade steps is in agreement with the broadening of the associated ion-acoustic-waves' spectra. The total energy transferred in the EPWs cascade is found to be either less than or of the same order of magnitude as the energy of the primary EPW. C1 Univ Paris 06, CEA, Ecole Polytech, CNRS,UMR 7605,Lab Utilisat Lasers Intense, F-91128 Palaiseau, France. Ecole Polytech, CNRS, UMR 7644, Ctr Phys Theor, F-91128 Palaiseau, France. Univ Bordeaux 1, Inst Phys Fondamentale, F-33405 Talence, France. Lawrence Livermore Natl Lab, Inst Laser Sci & Applicat, Livermore, CA 94550 USA. RP Depierreux, S (reprint author), CEA, DIF, BP 12, F-91680 Bruyeres Le Chatel, France. RI Fuchs, Julien/D-3450-2016 OI Fuchs, Julien/0000-0001-9765-0787 NR 23 TC 23 Z9 23 U1 1 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 JUL 22 PY 2002 VL 89 IS 4 AR 045001 DI 10.1103/PhysRevLett.89.045001 PG 4 WC Physics, Multidisciplinary SC Physics GA 572HQ UT WOS:000176768700016 PM 12144485 ER PT J AU Michel, N Nazarewicz, W Ploszajczak, M Bennaceur, K AF Michel, N Nazarewicz, W Ploszajczak, M Bennaceur, K TI Gamow shell model description of neutron-rich nuclei SO PHYSICAL REVIEW LETTERS LA English DT Article ID RESONANT STATE EXPANSIONS; CONTINUUM; POTENTIALS AB This work presents the first continuum shell-model study of weakly bound neutron-rich nuclei involving multiconfiguration mixing. For the single-particle basis, the complex-energy Berggren ensemble representing the bound single-particle states, narrow resonances, and the nonresonant continuum background is taken. Our shell-model Hamiltonian consists of a one-body finite potential and a zero-range residual two-body interaction. It is demonstrated that the residual interaction coupling to the particle continuum is important; in some cases, it can give rise to the binding of a nucleus. C1 GANIL, CEA, DSM, CNRS,IN2P3, F-14076 Caen 05, France. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. Univ Lyon 1, Inst Phys Nucl Lyon, F-69622 Villeurbanne, France. RP Michel, N (reprint author), GANIL, CEA, DSM, CNRS,IN2P3, BP 5027, F-14076 Caen 05, France. RI Bennaceur, Karim/O-1680-2016 OI Bennaceur, Karim/0000-0002-6722-491X NR 23 TC 152 Z9 155 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 JUL 22 PY 2002 VL 89 IS 4 AR 042502 DI 10.1103/PhysRevLett.89.042502 PG 4 WC Physics, Multidisciplinary SC Physics GA 572HQ UT WOS:000176768700009 PM 12144478 ER PT J AU Zarand, G Janko, B AF Zarand, G Janko, B TI Ga1-xMnxAs: A frustrated ferromagnet SO PHYSICAL REVIEW LETTERS LA English DT Article ID DILUTED MAGNETIC SEMICONDUCTORS; MONTE-CARLO; MODEL AB Starting from a microscopic description of the exchange interaction in Ga1-xMn As-x , we derive an effective Mn-Mn interaction. Because of the strong spin-orbit coupling in the valence band, this effective interaction is highly anisotropic and has a spatial structure somewhat similar to dipolar interactions. The corresponding ground state has a finite magnetization but is intrinsically spin disordered even at zero temperature, explaining many features of the experimental data. Our results are relevant for many magnetic semiconductors. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60429 USA. Harvard Univ, Lyman Lab Phys, Cambridge, MA 02145 USA. Tech Univ Budapest, Inst Phys, Hungarian Acad Sci, Res Grp, H-1521 Budapest, Hungary. Univ Notre Dame, Dept Phys, Notre Dame, IN 46617 USA. RP Zarand, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60429 USA. RI Zarand, Gergely/D-4571-2009 NR 29 TC 87 Z9 87 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 JUL 22 PY 2002 VL 89 IS 4 AR 047201 DI 10.1103/PhysRevLett.89.047201 PG 4 WC Physics, Multidisciplinary SC Physics GA 572HQ UT WOS:000176768700027 PM 12144496 ER PT J AU Yamato, K Fernandez, FA Vogel, HF Bartsch, RA Dietz, ML AF Yamato, K Fernandez, FA Vogel, HF Bartsch, RA Dietz, ML TI Stereospecific synthesis of cis-trans-dicyclohexano-18-crown-6 and K+ complexation by the five dicyclohexano-18-crown-6 isomers SO TETRAHEDRON LETTERS LA English DT Article DE stereospecific synthesis; crown ether; K+ complexation ID MACROCYCLE INTERACTION; KINETIC DATA; NEUTRAL MOLECULES; CATIONS; EXTRACTION; ANIONS AB Stereospecific syntheses of the cis trans-isomer of dicyclohexano-18-crown-6 allows the K+ complexation behavior of all five dicyclohexano-18-crown-6 isomers to be compared. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Bartsch, RA (reprint author), Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. RI Yamato, Kazuhiro/G-4213-2013 OI Yamato, Kazuhiro/0000-0001-9592-0739 NR 21 TC 6 Z9 6 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0040-4039 J9 TETRAHEDRON LETT JI Tetrahedron Lett. PD JUL 22 PY 2002 VL 43 IS 30 BP 5229 EP 5232 AR PII S0040-4039(02)01040-7 DI 10.1016/S0040-4039(02)01040-7 PG 4 WC Chemistry, Organic SC Chemistry GA 571QC UT WOS:000176727200004 ER PT J AU Altman, EI Droubay, T Chambers, SA AF Altman, EI Droubay, T Chambers, SA TI Growth of MoO3 films by oxygen plasma assisted molecular beam epitaxy SO THIN SOLID FILMS LA English DT Article DE molybdenum; oxides; molecular beam epitaxy; growth mechanism ID MOLYBDENUM TRIOXIDE; THIN-FILMS; OXIDES; DEPOSITION; WO3 AB The growth Of MoO3 films on SrLaAlO4(0 0 1), a substrate lattice-matched to beta-MoO3, by oxygen plasma assisted molecular beam epitaxy was characterized using reflection high-energy electron diffraction (RHEED), X-ray photoelectron spectroscopy, Xray diffraction (XRD), and atomic force and scanning tunneling microscopies (AFM and STM). It was found that the flux of reactive oxygen species to the surface was not high enough to maintain the proper stoichiometry, even at the lowest measurable deposition rates. Therefore, the films were grown by depositing Mo in small increments and then allowing the Mo to oxidize. At 675 K, the films grew epitaxially but in a three-dimensional manner. XRD of films grown under these conditions revealed a tetragonal structure that has not been previously observed in bulk MoO3 samples. Decreasing the growth temperature to 535 K led to polycrystalline alpha-MoO3 preferentially aligned with the [0 1 0] and [1 0 0] directions of the grains oriented normal to the substrate. By manipulating the initial growth conditions, relatively flat, epitaxial MoO3, films could be grown on SrLaAlO4,(0 0 1). In this case, the equivalent of one layer of beta-MoO3 (0 0 1) was deposited at 675 K before adding several layers of MoO3 at 550 K. Unlike growth solely at 675 K, the MoO3 formed in this manner did not dewet the surface when reheated to 675 K and RHEED indicated that continued MoO3 growth at this temperature proceeded epitaxially. XRD and AFM indicated that films grown in this manner contained alpha-MoO3, crystallites in addition to an epitaxial phase that accounted for most of the surface area of the film. STM images of the film that revealed step heights expected for P-MoO3 (0 0 1), along with RHEED results that revealed in-plane lattice constants consistent with beta-MoO3, indicated that epitaxial beta-MoO3. films can be grown and that geometric matching to the substrate can stabilize the beta phase at temperatures where it is not stable in the bulk. (C) 2002 Elsevier Science B.V All rights reserved. C1 Yale Univ, Dept Chem Engn, New Haven, CT 06520 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Altman, EI (reprint author), Yale Univ, Dept Chem Engn, POB 208286, New Haven, CT 06520 USA. RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 NR 19 TC 19 Z9 19 U1 0 U2 43 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 JUL 22 PY 2002 VL 414 IS 2 BP 205 EP 215 AR PII S0040-6090(02)00487-X DI 10.1016/S0040-6090(02)00487-X PG 11 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 590MA UT WOS:000177825600009 ER PT J AU Brash, EJ Hovdebo, J Lolos, GJ Huber, GM van der Meer, R Papandreou, Z AF Brash, EJ Hovdebo, J Lolos, GJ Huber, GM van der Meer, R Papandreou, Z TI Operational performance of the Hall A mirror aerogel Cherenkov counter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE nuclear and particle physics; detectors; Cherenkov AB We report the results of an operational test of the efficiency and position sensitivity of a silica-aerogel Cherenkov detector installed in the HRS-E spectrometer in Hall A at Jefferson Lab. The calibration was performed with data from elastic electron scattering from polarized He-3. The response of the photo-multiplier tubes was linearized with a quadratic correction, allowing a unique number of photo-electrons (PEs) to be extracted. The result obtained (similar to7.3 PEs) is consistent with the performance of the prototype detector tested earlier under ideal conditions. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Brash, EJ (reprint author), Univ Regina, Dept Phys, Regina, SK S4S 0A2, Canada. NR 3 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2002 VL 487 IS 3 BP 346 EP 352 AR PII S0168-9002(01)02199-4 DI 10.1016/S0168-9002(01)02199-4 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 592DA UT WOS:000177920400011 ER PT J AU Albrow, M Aota, S Apollinari, G Asakawa, T Bailey, M de Barbaro, P Barnes, V Benjamin, D Blusk, S Bodek, A Bolla, G Budd, H Cauz, D Demortier, L Fukui, Y Gotra, Y Hahn, S Handa, T Hatakeyama, K Ikeda, H Introzzi, G Iwai, J Kim, SH Kongeter, A Kowald, W Laasanen, A Lamoureux, J Lindgren, M Liu, J Lobban, O Melese, P Minato, H Murgia, S Nakada, H Patrick, J Pauletta, G Sakumoto, W Santi, L Seiya, Y Solodsky, A Spiegel, L Thomas, T Vilar, R Walsh, AM Wigmans, R AF Albrow, M Aota, S Apollinari, G Asakawa, T Bailey, M de Barbaro, P Barnes, V Benjamin, D Blusk, S Bodek, A Bolla, G Budd, H Cauz, D Demortier, L Fukui, Y Gotra, Y Hahn, S Handa, T Hatakeyama, K Ikeda, H Introzzi, G Iwai, J Kim, SH Kongeter, A Kowald, W Laasanen, A Lamoureux, J Lindgren, M Liu, J Lobban, O Melese, P Minato, H Murgia, S Nakada, H Patrick, J Pauletta, G Sakumoto, W Santi, L Seiya, Y Solodsky, A Spiegel, L Thomas, T Vilar, R Walsh, AM Wigmans, R TI Intercalibration of the longitudinal segments of a calorimeter system SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE calorimetry; calibration; jets; linearity; compensation ID SCINTILLATOR CALORIMETER; PERFORMANCE; RESOLUTION AB Three different methods of setting the hadronic energy scale of a longitudinally segmented calorimeter system are compared with each other. The merits of these methods have been studied with testbeam data from the CDF Plug Upgrade Calorimeter. It turns out that one of the (commonly used) calibration methods introduces a number of undesirable side effects, such as an increased hadronic signal nonlinearity and trigger biases resulting from the fact that the reconstructed energy of hadrons depends on the starting point of their showers. These problems can be avoided when a different calibration method is used. The results of this study are applied to determine the e/h values of the calorimeter and its segments. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Texas Tech Univ, Lubbock, TX 79409 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Univ New Mexico, Albuquerque, NM 87131 USA. Univ Rochester, Rochester, NY 14627 USA. Purdue Univ, W Lafayette, IN 47907 USA. Univ Udine, I-33100 Udine, Italy. Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. Rockefeller Univ, New York, NY 10021 USA. Natl Lab High Energy Phys, KEK, Tsukuba, Ibaraki 305, Japan. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Hiroshima Univ, Hiroshima 730, Japan. Univ Pavia, I-27100 Pavia, Italy. Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. Waseda Univ, Tokyo 169, Japan. Univ Karlsruhe, D-76128 Karlsruhe, Germany. Duke Univ, Durham, NC 27706 USA. Brandeis Univ, Waltham, MA 02254 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Michigan State Univ, E Lansing, MI 48824 USA. Univ Cantabria, E-39005 Santander, Spain. Rutgers State Univ, Piscataway, NJ 08855 USA. RP Lobban, O (reprint author), Texas Tech Univ, Fermilab, CDF, MS 318,POB 500, Batavia, IL 60510 USA. RI Introzzi, Gianluca/K-2497-2015 OI Introzzi, Gianluca/0000-0002-1314-2580 NR 19 TC 9 Z9 9 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2002 VL 487 IS 3 BP 381 EP 395 AR PII S0168-9002(01)02190-8 DI 10.1016/S0168-9002(01)02190-8 PG 15 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 592DA UT WOS:000177920400014 ER PT J AU Veldkamp, M Beckhoff, B Fliegaulf, R Ulm, G Frank, M Friedrich, S Labov, SE AF Veldkamp, M Beckhoff, B Fliegaulf, R Ulm, G Frank, M Friedrich, S Labov, SE TI Characterization of superconducting tunnel junction X-ray detectors by means of monochromatized undulator radiation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE superconducting tunnel junction (STJ); detector calibration; X-ray fluorescence analysis (XRF); beamline characterization; synchrotron radiation ID ENERGY RESOLUTION; BESSY-II; SPECTROMETERS; PERFORMANCE; BEAMLINE AB A superconducting tunnel junction X-ray detector system was designed to match current energy resolution, count rate and UHV requirements in soft X-ray spectroscopy. It employs a two-stage adiabatic demagnetization refrigerator with a 23 cm long cold finger to operate the detector inside a sample chamber for X-ray fluorescence measurements. This cryogenic detector system was characterized in the energy range from 100 eV to 900 eV with respect to its energy resolution ranging from 12 eV to 25 eV FWHM, count rate capability up to 80 keps and absolute detection efficiency using undulator radiation monochromatized by means of a plane grating monochromator beamline. Collimating the beam to the detector area improves the energy resolution by about 10%. The potential of this novel detector for beamline characterization was investigated. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Phys Tech Bundesanstalt, D-10587 Berlin, Germany. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Beckhoff, B (reprint author), Phys Tech Bundesanstalt, Abbestr 2-12, D-10587 Berlin, Germany. RI Ulm, Gerhard/D-4798-2009; Frank, Matthias/O-9055-2014 NR 13 TC 9 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2002 VL 487 IS 3 BP 450 EP 456 AR PII S0168-9002(01)02197-0 DI 10.1016/S0168-9002(01)02197-0 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 592DA UT WOS:000177920400020 ER PT J AU Polycarpou, A Ntais, C Korber, BT Elrich, HA Winchester, R Krogstad, P Wolinsky, S Rostron, T Rowland-Jones, SL Ammann, AJ Ioannidis, JPA AF Polycarpou, A Ntais, C Korber, BT Elrich, HA Winchester, R Krogstad, P Wolinsky, S Rostron, T Rowland-Jones, SL Ammann, AJ Ioannidis, JPA CA Ariel Project TI Association between maternal and infant class I and IIHLA alleles and of their concordance with the risk of perinatal HIV type I transmissions SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Article; Proceedings Paper CT 9th Conference on Retroviruses and Opportunistic Infection CY FEB 24-28, 2002 CL SEATTLE, WASHINGTON ID IMMUNODEFICIENCY-VIRUS TYPE-1; LEUKOCYTE ANTIGEN; HLA; INFECTION; PROGRESSION; REPLICATION; DISEASE; THERAPY AB We aimed to investigate the influence of class I and class II HLA specificities and of the concordance between maternal and infant HLA on vertical HIV-1 transmission. HLA typing of samples from mothers and infants enrolled in the Ariel study, a perinatal HIV-1 transmission cohort including 203 mother-infant pairs, was performed by serological and molecular methods. HLA effects were evaluated alone and by multivariate modeling considering also other known predictors of perinatal HIV-1 transmission (maternal viral load, antiretroviral therapy, duration of rupture of membranes, and histological chorioamnionitis). Modest associations were seen with specific HLA markers (increased risk with infant B67 and B58 and maternal DR1 decreased risk with maternal B12), but these were not statistically significant after adjusting for multiple comparisons. Mother-infant concordance at any class I locus was a strong predictor of transmission (odds ratio [OR], 4.16; p = 0.028). Transmission was not associated with class II concordance. Class I HLA concordance retained its importance after adjusting for maternal viral load, antiretroviral therapy, duration of rupture of membranes or histological chorioamnionitis. In multivariate modeling, only class I concordance (OR, 3.59; p = 0.069) and chorioamnionitis (OR, 3.79; p = 0.030) were retained as independent predictors of transmission. HLA alleles, and in particular the class I concordance between maternal and neonatal HLA, may regulate the risk of perinatal HIV-1 transmission. C1 Univ Ioannina, Sch Med, Dept Hyg & Epidemiol, Clin & Mol Epidemiol Unit, GR-45110 Ioannina, Greece. Los Alamos Natl Lab, Los Alamos, NM USA. Santa Fe Inst, Santa Fe, NM 87501 USA. Roche Mol Syst, Dept Human Genet, Alameda, CA USA. Columbia Univ Coll Phys & Surg, Dept Pediat, New York, NY 10032 USA. Univ Calif Los Angeles, Dept Pediat, Los Angeles, CA 90024 USA. Northwestern Univ, Sch Med, Dept Med, Chicago, IL 60611 USA. John Radcliffe Hosp, Inst Mol Med, Oxford OX3 9DU, England. Global Strategies HIV Prevent, San Rafael, CA USA. Tufts Univ, Sch Med, Dept Med, Boston, MA 02111 USA. RP Ioannidis, JPA (reprint author), Univ Ioannina, Sch Med, Dept Hyg & Epidemiol, Clin & Mol Epidemiol Unit, GR-45110 Ioannina, Greece. RI Ioannidis, John/G-9836-2011; Wolinsky, Steven/B-2893-2012; OI Wolinsky, Steven/0000-0002-9625-6697; Korber, Bette/0000-0002-2026-5757 NR 24 TC 46 Z9 47 U1 0 U2 0 PU MARY ANN LIEBERT INC PUBL PI LARCHMONT PA 2 MADISON AVENUE, LARCHMONT, NY 10538 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD JUL 20 PY 2002 VL 18 IS 11 BP 741 EP 746 DI 10.1089/08892220260139477 PG 6 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 577AD UT WOS:000177038600001 PM 12167265 ER PT J AU Mokili, JLK Rogers, M Carr, JK Simmonds, P Bopopi, JM Foley, BT Korber, BT Birx, DL McCutchan, FE AF Mokili, JLK Rogers, M Carr, JK Simmonds, P Bopopi, JM Foley, BT Korber, BT Birx, DL McCutchan, FE TI Identification of a novel clade of human immunodeficiency virus type 1 in Democratic Republic of Congo SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Article ID HIV AB The high genetic heterogeneity of HIV-1 in the Democratic Republic of Congo (DRC) constitutes a real challenge for the development of vaccines to counter the spread of the HIV-1 epidemic. It is important to continue to monitor the epidemic by studying the circulating strains and their impact on the overall spread. As part of the ongoing effort to study the global distribution of HIV-1 subtypes and circulating recombinant forms (CRFs), here we describe a new phylogenetic clade of HIV-1 by the analysis of two full-length sequences (83CD003 and 90CD121E12) collected from two individuals at a 7-year interval (1983 and 1990, respectively). One of the two sequences (90CD121E12) was obtained from a vertically infected, 12-month-old baby in Kimpese, rural DRC, an area with low and stable seroprevalence of HIV-1 in women attending antenatal clinics. The two sequences are genetically similar by 95% of their full genome and topologically form a distinct cluster that is equidistant from the existing subtypes (A through K) by the analysis of both the full genome and subgenomic regions. Furthermore, they share several other genetic features, including an additional pair of cysteine residues, predictive of an extra disulfide bridge, in the V4 loop of gp120. This new clade is currently rare, spreading at a slower pace than the other subtypes found in the DRC region. Pending the identification of at least one partial length sequence of the same lineage from another patient who is epidemiologically unlinked to those described here, this clade is not yet named as a subtype as per the recommendation of the nomenclature committee. C1 Los Alamos Natl Lab, HIV SIV Vaccine Trials Database, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, HIV SIV Vaccine & Sequence Database, Los Alamos, NM 87545 USA. Henry M Jackson Fdn, Rockville, MD 20850 USA. Univ Edinburgh, Lab Clin & Mol Virol, Democrat Republ Congo Evolut Grp, Projet Nkebolo SIDA,Inst Med Evangel, Edinburgh EH9 1QH, Midlothian, Scotland. Walter Reed Army Inst Res, Rockville, MD USA. RP Mokili, JLK (reprint author), Los Alamos Natl Lab, HIV SIV Vaccine Trials Database, MS K710, Los Alamos, NM 87545 USA. OI Foley, Brian/0000-0002-1086-0296; Korber, Bette/0000-0002-2026-5757 NR 10 TC 20 Z9 20 U1 0 U2 0 PU MARY ANN LIEBERT INC PUBL PI LARCHMONT PA 2 MADISON AVENUE, LARCHMONT, NY 10538 USA SN 0889-2229 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD JUL 20 PY 2002 VL 18 IS 11 BP 817 EP 823 DI 10.1089/08892220260139567 PG 7 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 577AD UT WOS:000177038600010 PM 12167273 ER PT J AU Mitchell, RC Baron, E Branch, D Hauschildt, PH Nugent, PE Lundqvist, P Blinnikov, S Pun, CSJ AF Mitchell, RC Baron, E Branch, D Hauschildt, PH Nugent, PE Lundqvist, P Blinnikov, S Pun, CSJ TI Detailed spectroscopic analysis of SN 1987A: The distance to the large magellanic cloud using the spectral-fitting expanding atmosphere method SO ASTROPHYSICAL JOURNAL LA English DT Article DE distance scale; line : formation; nuclear reactions, nucleosynthesis, abundances; radiative transfer; supernovae : individual (SN 1987A) ID LOW-DENSITY PHOTOSPHERES; BOLOMETRIC LIGHT-CURVE; SUPERNOVA 1987A; II SUPERNOVAE; MODEL ATMOSPHERES; SN-1987A; PROGENITOR; PHOTOMETRY; EVOLUTION; 1999EM AB Supernova 1987A remains the most well studied supernova to date. Observations produced excellent broadband photometric and spectroscopic coverage over a wide wavelength range at all epochs. We model the observed spectra from day 1 to day 81 using a hydrodynamical model. We show that good agreement can be obtained at times up to about 60 days if we allow for extended nickel mixing. Later than about 60 days the observed Balmer lines become stronger than our models can reproduce. We show that this is likely due to a more complicated distribution of gamma rays than we allow for in our spherically symmetric calculations. We present synthetic light curves in UBVRIJHK and a synthetic bolometric light curve. Using this broad baseline of detailed spectroscopic models, we find a distance modulus of mu=18.5+/-0.2 using the spectral-fitting expanding atmosphere method of determining distances to supernovae. We find that the explosion time agrees with that of the neutrino burst and is constrained at 68% confidence to within 0.9 days. We argue that the weak Balmer lines of our detailed model calculations cast doubt on the accuracy of the purely photometric expanding photosphere method. We also suggest that Type IIP supernovae will be most useful as distance indicators at early times because of a variety of effects. C1 Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA. Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. Univ Georgia, Ctr Simulat Phys, Athens, GA 30602 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Stockholm Observ, Dept Astron, SCFAB, SE-10691 Stockholm, Sweden. Inst Theoret & Expt Phys, Moscow 117218, Russia. Univ Hong Kong, Dept Phys, Hong Kong, Hong Kong, Peoples R China. RP Mitchell, RC (reprint author), St Ambrose Univ, Dept Phys, 518 W Locust St, Davenport, IA 52803 USA. EM mitchellrobertc@ambrose.sau.edu; baron@nhn.ou.edu; branch@nhn.ou.edu; yeti@hal.physast.uga.edu; penugent@lbl.gov; peter@astro.su.se; blinn@sai.msu.su; jcspun@hkucc.hku.hk RI Baron, Edward/A-9041-2009 OI Baron, Edward/0000-0001-5393-1608 NR 63 TC 35 Z9 35 U1 0 U2 1 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 JUL 20 PY 2002 VL 574 IS 1 BP 293 EP 305 DI 10.1086/340928 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 575ZK UT WOS:000176978200024 ER PT J AU Moon, YJ Choe, GS Park, YD Wang, HM Gallagher, PT Chae, J Yun, HS Goode, PR AF Moon, YJ Choe, GS Park, YD Wang, HM Gallagher, PT Chae, J Yun, HS Goode, PR TI Statistical evidence for sympathetic flares SO ASTROPHYSICAL JOURNAL LA English DT Article DE Sun : corona; Sun : flares; Sun : X-rays, gamma rays ID LOOPS AB Sympathetic flares are a pair of flares that occur almost simultaneously in different active regions, not by chance, but because of some physical connection. In this paper statistical evidence for the existence of sympathetic flares is presented. From GOES X-ray are data, we have collected 48 pairs of near simultaneous flares whose positional information and Yohkoh soft X-ray telescope images are available. To select the active regions that probably have sympathetic flares, we have estimated the ratio R of actual flaring overlap time to random-coincidence overlap time for 38 active region pairs. We have then compared the waiting-time distributions for the two different groups of active region pairs (R > 1 and R < 1) with corresponding nonstationary Poisson distributions. As a result, we find a remarkable overabundance of short waiting times for the group with R > 1. This is the first time such strong statistical evidence has been found for the existence of sympathetic flares. To examine the role of interconnecting coronal loops, we have also conducted the same analysis for two subgroups of the R > 1 group: one with interconnecting X-ray loops and the other without. We do not find any statistical evidence that the subgroup with interconnecting coronal loops is more likely to produce sympathetic flares than the subgroup without. For the subgroup with loops, we find that sympathetic flares favor active region pairs with transequatorial loops. C1 New Jersey Inst Technol, Big Bear Solar Observ, Yooseong Ku, Big Bear City, CA 92314 USA. Korea Astron Observ, Yooseong Ku, Taejon 305348, South Korea. Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. NASA, Goddard Space Flight Ctr, Emergent Technol Serv Inc, Greenbelt, MD 20771 USA. Chungnam Natl Univ, Dept Astron & Space Sci, Yusong Ku, Taejon 305764, South Korea. Seoul Natl Univ, SEES, Astron Program, Seoul 151742, South Korea. RP Moon, YJ (reprint author), New Jersey Inst Technol, Big Bear Solar Observ, Yooseong Ku, 40386 N Shore Lane, Big Bear City, CA 92314 USA. RI Moon, Yong-Jae/E-1711-2013; Choe, Gwangson/E-2366-2013; Gallagher, Peter/C-7717-2011 OI Gallagher, Peter/0000-0001-9745-0400 NR 14 TC 46 Z9 46 U1 0 U2 2 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 JUL 20 PY 2002 VL 574 IS 1 BP 434 EP 439 DI 10.1086/340945 PN 1 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 575ZK UT WOS:000176978200037 ER PT J AU Fryer, CL Warren, MS AF Fryer, CL Warren, MS TI Modeling core-collapse supernovae in three dimensions SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : evolution; supernovae : general ID II SUPERNOVAE; CONVECTION; EXPLOSIONS; STARS; NUCLEOSYNTHESIS; SIMULATIONS; MECHANISM; EVOLUTION; EQUATION; NOVAE AB We present the first complete three-dimensional simulations of the core collapse of a massive star from the onset of collapse to the resultant supernova explosion. We compare the structure of the convective instabilities that occur in three-dimensional models with those of past two-dimensional simulations. Although the convective instabilities are clearly three-dimensional in nature, we find that both the size scale of the flows and the net enhancement to neutrino heating does not differ greatly between two- and three-dimensional models. The explosion energy, explosion timescale, and remnant mass does not differ by more than 10% between two- and three-dimensional simulations. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fryer, CL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 22 TC 145 Z9 146 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JUL 20 PY 2002 VL 574 IS 1 BP L65 EP L68 DI 10.1086/342258 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 575ZL UT WOS:000176978300015 ER PT J AU Puso, MA Laursen, TA AF Puso, MA Laursen, TA TI A 3D contact smoothing method using Gregory patches SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING LA English DT Article DE finite elements; contact; smoothing; Gregory patch ID FINITE-ELEMENT FORMULATION; IMPACT AB In this work, a method is developed for smoothing three-dimensional contact surfaces. The method can be applied to both regular and irregular meshes. The algorithm employs Gregory patches to interpolate finite element nodes and provide tangent plane continuity between adjacent patches. The resulting surface interpolation is used to calculate gaps and contact forces, in a variationally consistent way, such that contact forces due to normal and frictional contact vary smoothly as slave nodes transition from one patch to the next. This eliminates the 'chatter' which typically occurs in a standard contact algorithm when a slave node is situated near a master facet edge. The elimination of this chatter provides a significant improvement in convergence behaviour, which is illustrated by a number of numerical examples. Furthermore, smoothed surfaces also provide a more accurate representation of the actual surface, such that resulting stresses and forces can be more accurately computed with coarse meshes in many problems. This fact is also demonstrated by the numerical examples. Published in 2002 by John Wiley Sons, Ltd. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Duke Univ, Dept Civil & Environm Engn, Computat Mech Lab, Durham, NC 27708 USA. RP Puso, MA (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. OI Laursen, Tod/0000-0003-4704-7730 NR 21 TC 78 Z9 81 U1 0 U2 0 PU JOHN WILEY & SONS LTD PI W SUSSEX PA BAFFINS LANE CHICHESTER, W SUSSEX PO19 1UD, ENGLAND SN 0029-5981 J9 INT J NUMER METH ENG JI Int. J. Numer. Methods Eng. PD JUL 20 PY 2002 VL 54 IS 8 BP 1161 EP 1194 DI 10.1002/nme.466 PG 34 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 568JV UT WOS:000176539400003 ER PT J AU Balls, GT Colella, P AF Balls, GT Colella, P TI A finite difference domain decomposition method using local corrections for the solution of Poisson's equation SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE finite difference methods; multigrid methods; domain decomposition; local corrections; potential theory ID VORTEX METHOD; ALGORITHM AB We present a domain decomposition method for computing finite difference solutions to the Poisson equation with infinite domain boundary conditions. Our method is a finite difference analogue of Anderson's Method of Local Corrections. The solution is computed in three steps. First, fine-grid solutions are computed in parallel using, infinite domain boundary conditions on each subdomain. Second, information is transferred globally through a coarse-grid representation of the charge, and a global coarse-grid solution is found. Third, a fine-grid solution is computed on each subdomain using boundary conditions set with the global coarse solution, corrected locally with fine-grid information from nearby subdomains. There are three important features of our algorithm. First, our method requires only a single iteration between the local fine-grid solutions and the global coarse representation. Second, the error introduced by the domain decomposition is small relative to the solution error obtained in a single-grid calculation. Third, the computed solution is second-order accurate and only weakly dependent on the coarse-grid spacing and the number of subdomains. As a result of these features, we are able to compute accurate solutions in parallel with a much smaller ratio of communication to computation than more traditional domain decomposition methods. We present results to verify the overall accuracy, confirm the small communication costs, and demonstrate the parallel scalability of the method. (C) 2002 Elsevier Science (USA). C1 San Diego Supercomp Ctr, Dept Computat Sci, La Jolla, CA 92093 USA. Lawrence Berkeley Natl Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. RP Balls, GT (reprint author), San Diego Supercomp Ctr, Dept Computat Sci, La Jolla, CA 92093 USA. NR 16 TC 16 Z9 16 U1 0 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 JUL 20 PY 2002 VL 180 IS 1 BP 25 EP 53 DI 10.1006/jcph.2002.7068 PG 29 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 574NG UT WOS:000176896000002 ER PT J AU Bardenhagen, SG AF Bardenhagen, SG TI Energy conservation error in the material point method for solid mechanics SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE stability and convergence of numerical methods; error analysis; basic methods in solid mechanics; linear vibrations ID IN-CELL METHOD; GRANULAR MATERIAL; 2 DIMENSIONS; PARTICLE; FLIP; SIMULATION; FLOW AB The material point method (MPM) for solid mechanics conserves mass and momentum by construction, but energy conservation is not explicitly enforced. Material constitutive response and internal energy are carried on discrete points (material points), while the governing equations are solved on an overlying arid. The constitutive response (and internal energy) may be updated at the beginning or end of a numerical time step without affecting mass or momentum conservation properties. Both versions of the algorithm have been applied in the literature. Here energy conservation on the material points is investigated and found to depend strongly on the version of the algorithm used. The energy error is found and partitioned into two terms, one of which is of definite sign (and dissipative). The other term is indefinite, and of opposite sign for the two algorithmic variations. It is shown analytically for a single-material-point free-vibration example that one version of the algorithm is strictly dissipative. For the other version the error terms cancel each other out and energy is conserved. The same trends are borne out in numerical solutions of free axial vibration of continuum bars as the wavelength of the vibrational mode begins to approach the computational cell size. The dissipative algorithm may be described as tending to damp out unresolved modes. For resolved modes, both algorithms give identical results, with no perceptible energy error or dissipation. It is suggested that the dissipative algorithm is a better choice in general, as the damping is consistent with the accuracy of the solution. (C) 2002 Elsevier Science (USA). C1 Univ Utah, Dept Mech Engn, Salt Lake City, UT 84112 USA. RP Los Alamos Natl Lab, Grp T-14,MS B214, Los Alamos, NM 87545 USA. EM bard@golden.mech.utah.edu NR 19 TC 37 Z9 40 U1 2 U2 17 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD JUL 20 PY 2002 VL 180 IS 1 BP 383 EP 403 DI 10.1006/jcph.2002.7103 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 574NG UT WOS:000176896000019 ER PT J AU Giedt, J AF Giedt, J TI CP violation and moduli stabilization in heterotic models SO MODERN PHYSICS LETTERS A LA English DT Article; Proceedings Paper CT CP Violation 2001 Conference CY NOV 04-18, 2001 CL UNIV MICHIGAN, ANN ARBOR, MICHIGAN HO UNIV MICHIGAN DE CP violation; four dimensions string models; string-inspired effective supergravity; moduli stabilization ID SUPERSYMMETRY BREAKING TERMS; SUPERSTRING STANDARD MODEL; STRING THEORY; ORBIFOLD COMPACTIFICATIONS; FLAT DIRECTIONS; UNIFICATION; CONDENSATION; SYMMETRIES; GAUGINO; PHASE AB The role of moduli stabilization in predictions for CP violation is examined in the context of four-dimensional effective supergravity models obtained from the weakly coupled heterotic string. We point out that while stabilization of compactification moduli has been studied extensively, the determination of background values for other scalars by dynamical means has not been subjected to the same degree of scrutiny. These other complex scalars are important potential sources of CP violation and we show in a simple model how their background values (including complex phases) may be determined from the minimization of the supergravity scalar potential, subject to the constraint of vanishing cosmological constant. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Giedt, J (reprint author), Univ Calif Berkeley, Dept Phys, 50A-5101, Berkeley, CA 94720 USA. NR 35 TC 8 Z9 8 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA JOURNAL DEPT PO BOX 128 FARRER ROAD, SINGAPORE 912805, SINGAPORE SN 0217-7323 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD JUL 20 PY 2002 VL 17 IS 22 BP 1465 EP 1473 DI 10.1142/S0217732302007879 PG 9 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA 582RN UT WOS:000177365100006 ER PT J AU Aalseth, CE Avignone, FT Barabash, A Boehm, F Brodzinski, RL Collar, JI Doe, PJ Ejiri, H Elliott, SR Fiorini, E Gaitskell, RJ Gratta, G Hazama, R Kazkaz, K King, GS Kouzes, RT Miley, HS Moe, MK Morales, A Morales, J Piepke, A Robertson, RGH Tornow, W Vogel, P Warner, RA Wilkerson, JF AF Aalseth, CE Avignone, FT Barabash, A Boehm, F Brodzinski, RL Collar, JI Doe, PJ Ejiri, H Elliott, SR Fiorini, E Gaitskell, RJ Gratta, G Hazama, R Kazkaz, K King, GS Kouzes, RT Miley, HS Moe, MK Morales, A Morales, J Piepke, A Robertson, RGH Tornow, W Vogel, P Warner, RA Wilkerson, JF TI Comment on "Evidence for neutrinoless double beta decay" SO MODERN PHYSICS LETTERS A LA English DT Editorial Material AB We comment on the recent claim for the experimental observation of neutrinoless double-beta decay. We discuss several limitations in the analysis provided in that paper and conclude that there is no basis for the presented claim. C1 Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. Inst Theoret & Expt Phys, Moscow 117259, Russia. CALTECH, Dept Phys, Pasadena, CA 91125 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Int Inst Adv Studies, Kizu, Kyoto 6190025, Japan. Osaka Univ, Res Ctr Nucl Phys, Osaka 567, Japan. Univ Milano Bicocca, Dipartimento Fis, Milan, Italy. Ist Nazl Fis Nucl, Sez Milano, Milan, Italy. Brown Univ, Dept Phys, Providence, RI 02912 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Univ Zaragoza, Lab Nucl & High Energy Phys, E-50009 Zaragoza, Spain. Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. RP Elliott, SR (reprint author), Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. RI Barabash, Alexander/S-8851-2016; OI Wilkerson, John/0000-0002-0342-0217 NR 5 TC 145 Z9 145 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA JOURNAL DEPT PO BOX 128 FARRER ROAD, SINGAPORE 912805, SINGAPORE SN 0217-7323 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD JUL 20 PY 2002 VL 17 IS 22 BP 1475 EP 1478 DI 10.1142/S0217732302007715 PG 4 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA 582RN UT WOS:000177365100007 ER PT J AU Schumacher, G Birtcher, RC Renusch, DP Grimsditch, M Rehn, LE AF Schumacher, G Birtcher, RC Renusch, DP Grimsditch, M Rehn, LE TI Sound velocity of glassy Pd80Si20 after heavy-ion irradiation at low temperatures SO PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES LA English DT Article ID AMORPHOUS NI-ZR; STRUCTURAL RELAXATION; METALLIC GLASSES; DENSITY; ALLOYS; FE40NI40B20; DIFFUSION; DEFECTS; SOLIDS; STATES AB Specimens of glassy Pd80Si20 were irradiated at temperatures below 100 K with 3.5 MeV krypton ions. After irradiation, changes in the sound velocity were measured at 80 K without warm-up by Brillouin scattering. The sound velocity decreased with increasing ion fluence and exponentially approached a saturation value of -4.7%. The change in the shear elastic modulus per unit concentration n of defects was estimated to be d(ln C)/dn = -9.4 to -4.7. The results of the present study are compared with changes in the elastic properties predicted recently by an interstitialcy model for glassy metals, and with the elastic properties of glassy metals after thermal treatment. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Schumacher, G (reprint author), Hahn Meitner Inst Berlin GmbH, Struct Res Div, Glienicker Str 100, D-14109 Berlin, Germany. NR 28 TC 1 Z9 1 U1 2 U2 10 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0141-8610 J9 PHILOS MAG A JI Philos. Mag. A-Phys. Condens. Matter Struct. Defect Mech. Prop. PD JUL 20 PY 2002 VL 82 IS 11 BP 2333 EP 2339 DI 10.1080/01418610210141299 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 577KX UT WOS:000177061000008 ER PT J AU Ramirez, UD Minasov, G Focia, PJ Stroud, RM Walter, P Kuhn, P Freymann, DM AF Ramirez, UD Minasov, G Focia, PJ Stroud, RM Walter, P Kuhn, P Freymann, DM TI Structural basis for mobility in the 1.1 angstrom crystal structure of the NG domain of Thermus aquaticus Ffh SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE ultrahigh resolution; SRP; Ffh; GTPase; X-ray crystallography ID SIGNAL-RECOGNITION PARTICLE; METHIONINE-RICH DOMAIN; MACROMOLECULAR STRUCTURES; DISPLACEMENT PARAMETERS; ANISOTROPIC REFINEMENT; ATOMIC-RESOLUTION; CONSERVED GTPASE; SRP GTPASE; PROTEINS; MODEL AB The NG domain of the prokaryotic signal recognition protein Ffh is a two-domain GTPase that comprises part of the prokaryotic signal recognition particle (SRP) that functions in co-translational targeting of proteins to the membrane. The interface between the N and G domains includes two highly conserved sequence motifs and is adjacent in sequence and structure to one of the conserved GTPase signature motifs. Previous structural studies have shown that the relative orientation of the two domains is dynamic. The N domain of Ffh has been proposed to function in regulating the nucleotide-binding interactions of the G domain. However, biochemical studies suggest a more complex role for the domain in integrating communication between signal sequence recognition and interaction with receptor. Here, we report the structure of the apo NG GTPase of Ffh from Thermus aquaticus refined at 1.10 Angstrom resolution. Although the G domain is very well ordered in this structure, the N domain is less well ordered, reflecting the dynamic relationship between the two domains previously inferred. We demonstrate that the anisotropic displacement parameters directly visualize the underlying mobility between the two domains, and present a detailed structural analysis of the packing of the residues, including the critical alpha4 helix, that comprise the interface. Our data allows us to propose a structural explanation for the functional significance of sequence elements conserved at the N/G interface. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Sch Med, Chicago, IL 60611 USA. Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94143 USA. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. RP Freymann, DM (reprint author), Northwestern Univ, Dept Mol Pharmacol & Biol Chem, Sch Med, Chicago, IL 60611 USA. FU NIGMS NIH HHS [GM 58500, R01 GM058500] NR 50 TC 32 Z9 32 U1 0 U2 1 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 JUL 19 PY 2002 VL 320 IS 4 BP 783 EP 799 DI 10.1016/S0022-2836(02)00476-X PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 581DU UT WOS:000177276500009 PM 12095255 ER PT J AU Liu, K Kelly, JW Wemmer, DE AF Liu, K Kelly, JW Wemmer, DE TI Native state hydrogen exchange study of suppressor and pathogenic variants of transthyretin SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE transthyretin; amyloid; hydrogen exchange; NMR spectroscopy; protection factor ID PROTEIN TRANSTHYRETIN; CRYSTAL-STRUCTURE; AMYLOID FIBRILS; INTERMEDIATE; RESOLUTION; LYSOZYME; SUBUNITS; BINDING; PATHWAY AB Transthyretin (TTR) is an amyloidogenic protein whose aggregation is responsible for numerous familial amyloid diseases, the exact phenotype being dependent on the sequence deposited. Many familial disease variants display decreased stability in vitro, and early onset pathology in vivo. Only subtle structural differences were observed upon crystallographic comparison of the disease-associated variants to the T119M interallelic trans-suppressor. Herein three human TTR single amino acid variant homotetramers including two familial amyloidotic polyneuropathy (FAP) causing variants (V30M and L55P), and a suppressor variant T119M (known to protect V30M carriers from disease by trans-suppression) were investigated in a residue-specific fashion by monitoring (2)H-(1)H exchange employing NMR spectroscopy. The measured protection factors for slowly exchanging amide hydrogen atoms reveal destabilization of the protein core in the FAP variants, the core consisting of strands A, B, E and G and the loop between strands A and B. The same core exhibits much slower exchange in the suppressor variant. Accelerated exchange rates were observed for residues at the subunit interfaces in L55P, but not in the T119M or V30M TTR. The correlation between destabilization of the TTR core strands and the tendency for amyloid formation supports the view that these strands are involved in amyloidogenicity, consistent with previous (2)H-(1)H exchange analysis of the WT-TTR amyloidogenic intermediate. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Scripps Res Inst, Dept Chem, La Jolla, CA 92037 USA. Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys Biosci, Berkeley, CA 94720 USA. RP Kelly, JW (reprint author), Scripps Res Inst, Dept Chem, 10550 N Torrey Pines Rd,BCC262, La Jolla, CA 92037 USA. EM jkelly@scripps.edu; dewemmer@lbl.gov FU NIA NIH HHS [AG 10770]; NIDDK NIH HHS [DK 46335] NR 24 TC 31 Z9 32 U1 0 U2 1 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 JUL 19 PY 2002 VL 320 IS 4 BP 821 EP 832 DI 10.1016/S0022-2836(02)00471-0 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 581DU UT WOS:000177276500012 PM 12095258 ER PT J AU Benioff, P AF Benioff, P TI Use of mathematical logical concepts in quantum mechanics: an example SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article ID KOLMOGOROV COMPLEXITY; ENVIRONMENT; COMPUTER AB The representation of numbers by product states in quantum mechanics can be extended to the representation of words and word sequences in languages by product states. This can be used to study quantum systems that generate text that has meaning. A simple example of such a system, based on an example described by Smullyan, is studied here. Based on a path interpretation for some word states, definitions of truth, validity, consistency and completeness are given and their properties studied. It is also shown that the relation between the potential meaning, if any, of word states and the quantum algorithmic complexity of the process generating the word states must be quite complex or nonexistent. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Benioff, P (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 29 TC 1 Z9 1 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 JUL 19 PY 2002 VL 35 IS 28 BP 5843 EP 5857 AR PII S0305-4470(02)30801-1 DI 10.1088/0305-4470/35/28/305 PG 15 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 584BJ UT WOS:000177447100012 ER PT J AU Bartels, RA Paul, A Green, H Kapteyn, HC Murnane, MM Backus, S Christov, IP Liu, YW Attwood, D Jacobsen, C AF Bartels, RA Paul, A Green, H Kapteyn, HC Murnane, MM Backus, S Christov, IP Liu, YW Attwood, D Jacobsen, C TI Generation of spatially coherent light at extreme ultraviolet wavelengths SO SCIENCE LA English DT Article ID HIGH-ORDER HARMONICS; SOFT X-RAYS; LASER; PHASE; INTERFEROMETRY; RADIATION; AMPLIFIER; EMISSION; DYNAMICS; PULSES AB We present spatial coherence measurements of extreme ultraviolet (EUV) light generated through the process of high-harmonic up-conversion of a femtosecond laser. With a phase-matched hollow-fiber geometry, the generated beam was found to exhibit essentially full spatial coherence. The coherence of this laser-like EUV source was shown by recording Gabor holograms of small objects. This work demonstrates the capability to perform EUV holography with a tabletop experimental setup. Such an EUV source, with low divergence and high spatial coherence, can be used for experiments involving high-precision metrology, inspection of optical components for EUV lithography, and microscopy and holography with nanometer resolution. Furthermore, the short time duration of the EUV radiation ( a few femtoseconds) will enable EUV microscopy and holography to be performed with ultrahigh time resolution. C1 Univ Colorado, Dept Phys, Boulder, CO 80309 USA. Univ Colorado, Joint Inst Lab Astrophys, Boulder, CO 80309 USA. Natl Inst Stand & Technol, Boulder, CO 80309 USA. Univ Sofia, Dept Phys, BU-1126 Sofia, Bulgaria. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Murnane, MM (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA. RI Backus, Sterling/C-2506-2008; Kapteyn, Henry/H-6559-2011; Christov, Ivan/D-4446-2014; Jacobsen, Chris/E-2827-2015 OI Kapteyn, Henry/0000-0001-8386-6317; Christov, Ivan/0000-0002-9146-6708; Jacobsen, Chris/0000-0001-8562-0353 NR 30 TC 248 Z9 252 U1 7 U2 55 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 JUL 19 PY 2002 VL 297 IS 5580 BP 376 EP 378 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 574LV UT WOS:000176892600044 PM 12130779 ER PT J AU Dion, HM Ackerman, LK Hill, HH AF Dion, HM Ackerman, LK Hill, HH TI Detection of inorganic ions from water by electrospray ionization-ion mobility spectrometry SO TALANTA LA English DT Article DE ion mobility spectrometry; electrospray ionization; inorganic cation detection ID MASS-SPECTROMETRY; ELEMENTAL ANALYSIS; PARAMETERS; CLUSTERS; IDENTIFICATION; CHROMATOGRAPHY; SEPARATION; TRANSITION; CATIONS; ANIONS AB The results from this study illustrate the first time electrospray ionization-ion mobility spectrometry (ESI-IMS) has been used to separate inorganic cations in aqueous solutions. Using ESI-IMS nine inorganic cation solutions were analyzed. Counter ions affected both the sensitivity and the identity of the response ions. Aluminum sulfate, lanthanum chloride, strontium chloride, uranyl acetate, uranyl nitrate, and zinc sulfate produced spectra containing a single response ion. Aluminum nitrate and zinc acetate solutions produced multiple ion peaks, which increased the detection limits and the difficulty of identification. Cation detection limits ranged from 0.16 to 13 ng mul(-1) depending on the solution studied. The identities of the ion species detected were unconfirmed, but mass spectrometry literature suggested the detection of positively charged cation-solvent or cation-solvent-anion complexes. Finally, cations from strontium and lanthanum chloride solutions were separated with a resolution of 2.2. The results from this study suggest that ESI-IMS has potential as a field technique for the detection of metal cations and their complexes in the environment. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. Washington State Univ, Dept Chem, Pullman, WA 99164 USA. Washington State Univ, Ctr Multiphase Environm Res, Pullman, WA 99164 USA. RP Dion, HM (reprint author), Univ Georgia, Savannah River Ecol Lab, Savannah River Site,Drawer E, Aiken, SC 29802 USA. RI Ackerman, Luke/E-4597-2011 OI Ackerman, Luke/0000-0001-6626-3039 NR 33 TC 30 Z9 32 U1 2 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD JUL 19 PY 2002 VL 57 IS 6 BP 1161 EP 1171 AR PII S0039-9140(02)00197-2 DI 10.1016/S0039-9140(02)00197-2 PG 11 WC Chemistry, Analytical SC Chemistry GA 578HE UT WOS:000177110700015 PM 18968722 ER PT J AU Norman, TJ Grant, CD Magana, D Zhang, JZ Liu, J Cao, DL Bridges, F Van Buuren, A AF Norman, TJ Grant, CD Magana, D Zhang, JZ Liu, J Cao, DL Bridges, F Van Buuren, A TI Near infrared optical absorption of gold nanoparticle aggregates SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ENHANCED RAMAN-SCATTERING; COLLOIDAL PARTICLES; PLASMON RESONANCE; SPECTRA; NANORODS; MOLECULE; ENERGY; AU2S AB The-reduction of HAuCl4 by Na2S has been reported to produce gold nanoparticles with an optical absorption in the near-infrared along with its characteristic absorption in the visible. The optical resonances in the visible are due to the gold surface plasma, which are a function of the geometry of the particles. The near-infrared absorption had been attributed to the formation of Au2S/Au core/shell structures. In this report we present new electronic absorption, electron microscopy, and x-ray absorption data in several systems to show that the near-infrared absorption does not involve core/shell structures. We further suggest that the near-infrared adsorption is most likely the result of the formation of aggregates of gold nanoparticles. The identification of the origin of the near-infrared resonance is critical in understanding the optical properties of metal nanoparticle systems. C1 Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zhang, JZ (reprint author), Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA. NR 35 TC 180 Z9 183 U1 4 U2 47 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 JUL 18 PY 2002 VL 106 IS 28 BP 7005 EP 7012 DI 10.1021/jp0204197 PG 8 WC Chemistry, Physical SC Chemistry GA 573UE UT WOS:000176849000006 ER PT J AU Chen, W Joly, AG Kowalchuk, CM Malm, JO Huang, YN Bovin, JO AF Chen, W Joly, AG Kowalchuk, CM Malm, JO Huang, YN Bovin, JO TI Structure, luminescence, and dynamics of Eu2O3 nanoparticles in MCM-41 SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-SIEVES; NANOCRYSTALLINE MATERIALS; FLUORESCENCE; SPECTROSCOPY; DEPENDENCE; HOSTS; EU-3+; Y2O3-EU3+; EMISSION; EU3+Y2O3 AB The structure, luminescence spectroscopy, and lifetime decay dynamics of Eu2O3 nanoparticles formed in MCM-41 have been investigated. Both X-ray diffraction and high-resolution transmission electron microscopic observations indicate that Eu2O3 nanoparticles of monoclinic structure are formed inside channels of MCM-41 by heating at 140 degreesC. However, heat treatment at 600 or 700 degreesC causes migration of Eu2O3 from the MCM-41 channels, forming nanoparticles of cubic structure outside the MCM-41 channels. After heating to 900 degreesC, some of the cubic Eu2O3 particles change to monoclinic Eu2O3, and the MCM-41 structure breaks down and a different or disordered phase is formed. The feature of the hypersensitive D-5(0) --> F-7(2) emission profile of Eu3+ is used to follow the structural changes. In the luminescence spectrum of the sample prepared at 140 degreesC, the emission spectrum is dominated by peaks at 615 and 623 nm, while in the other samples a peak at 612 nm is prevalent. Photoluminescence lifetimes show the existence of short (<1 mus) and long (microsecond to millisecond) components for each sample. The fast decay is attributed to quenching by surface states of the nanoparticles or energy transfer to the MCM-41, while the longer time decays show the effects of concentration quenching. The monoclinic sample prepared at 140 degreesC shows a higher luminescence intensity than the cubic samples or the bulk powder. These observations indicate that MCM-41 as a template can be used for making and stabilizing monoclinic rare earth oxides, which normally are stable only at high temperatures and high pressures. More importantly, the nanophase Eu2O3/MCM-41 composite materials formed at low temperatures might represent a new type of efficient luminescence material with fast response, with potential applications in lighting and displays. C1 Nomad Inc, Stillwater, OK 74074 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. 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 46 TC 70 Z9 70 U1 3 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 JUL 18 PY 2002 VL 106 IS 28 BP 7034 EP 7041 DI 10.1021/jp020787a PG 8 WC Chemistry, Physical SC Chemistry GA 573UE UT WOS:000176849000009 ER PT J AU Ryder, JA Chakraborty, AK Bell, AT AF Ryder, JA Chakraborty, AK Bell, AT TI Density functional theory study of nitrous oxide decomposition over Fe- and Co-ZSM-5 SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID BRIDGED CU PAIRS; N2O DECOMPOSITION; CATALYTIC DECOMPOSITION; OXYCYTOCHROME P450CAM; EXCHANGED ZEOLITES; RESONANCE RAMAN; IRON; FE; REACTIVITY; FE/ZSM-5 AB Iron- and cobalt-exchanged ZSM-5 are active catalysts for the dissociation of nitrous oxide. In this study, density functional theory was used to assess a possible I reaction pathway for the catalytic dissociation of N(2)O. The active center was taken to be mononuclear [FeO](+) or [CoO](+), and the surrounding portion of the zeolite was represented by a 24-atom cluster. The first step of N(2)O decomposition involves the formation of [FeO(2)](+) Or [CoO(2)](+),and the release of N(2). The metal-oxo species produced in this step then reacts with N(2)O again, to release N(2) and O(2). The apparent activation energies for N(2)O dissociation in Fe-ZSM-5 and CoZSM-5 are 39.4 and 34.6 kcal/mol, respectively. The preexponential factor for the apparent first-order rate coefficient, is estimated to be of the order 107 s(-1) Pa(1-). Although the calculated activation energy for FeZSM-5 is in good agreement with that measured experimentally, the value of the preexponential factor is an order of magnitude smaller than that observed. The calculated activation energy for Co-ZSM-5 is higher than that reported experimentally. However, consistent with experiment, the rate of N(2)O decomposition on Co-ZSM-5 is predicted to be significantly higher than that on Fe-ZSM-5. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Chem Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Chem Div, Berkeley, CA 94720 USA. NR 40 TC 79 Z9 81 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 JUL 18 PY 2002 VL 106 IS 28 BP 7059 EP 7064 DI 10.1021/jp014705e PG 6 WC Chemistry, Physical SC Chemistry GA 573UE UT WOS:000176849000013 ER PT J AU Zimmerman, JA AF Zimmerman, JA TI Materials science - Plastic parameter SO NATURE LA English DT Editorial Material ID CRACK-TIP C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Zimmerman, JA (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. NR 8 TC 1 Z9 1 U1 1 U2 3 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD JUL 18 PY 2002 VL 418 IS 6895 BP 285 EP 286 DI 10.1038/418285a PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 574BF UT WOS:000176868000026 PM 12124608 ER PT J AU Fukuda, S Fukuda, Y Ishitsuka, M Itow, Y Kajita, T Kameda, J Kaneyuki, K Kobayashi, K Koshio, Y Miura, A Moriyama, S Nakahata, M Nakayama, S Namba, T Okada, A Sakurai, N Shiozawa, M Suzuki, Y Takeuchi, H Takeuchi, Y Totsuka, Y Yamada, S Desai, S Earl, M Kearns, E Messier, MD Stone, JL Sulak, LR Walter, CW Goldhaber, A Barszczak, T Casper, D Gajewski, W Kropp, WR Mine, S Liu, DW Smy, MB Sobel, HW Vagins, MR Gago, A Ganezer, KS Keig, WE Ellsworth, RW Tasaka, S Kibayashi, A Learned, JG Matsuno, S Takemori, D Hayato, Y Ishii, T Kobayashi, T Maruyama, T Nakamura, K Obayashi, Y Oyama, Y Sakuda, M Yoshida, M Kohama, M Iwashita, T Suzuki, AT Ichikawa, A Inagaki, T Kato, I Nakaya, T Nishikawa, K Haines, TJ Dazeley, S Hatakeyama, S Svoboda, R Blaufuss, E Chen, ML Goodman, JA Guillian, G Sullivan, GW Turcan, D Scholberg, K Habig, A Ackermann, M Hill, J Jung, CK Malek, M Martens, K Mauger, C McGrew, C Sharkey, E Viren, B Yanagisawa, C Toshito, T Mitsuda, C Miyano, K Saji, C Shibata, T Kajiyama, Y Nagashima, Y Nitta, K Takita, M Kim, HI Kim, SB Yoo, J Okazawa, H Ishizuka, T Etoh, M Gando, Y Hasegawa, T Inoue, K Ishihara, K Shirai, J Suzuki, A Koshiba, M Hatakeyama, Y Ichikawa, Y Koike, M Nishijima, K Ishino, H Morii, M Nishimura, R Watanabe, Y Kielczewska, D Berns, HG Boyd, SC Stachyra, AL Wilkes, RJ AF Fukuda, S Fukuda, Y Ishitsuka, M Itow, Y Kajita, T Kameda, J Kaneyuki, K Kobayashi, K Koshio, Y Miura, A Moriyama, S Nakahata, M Nakayama, S Namba, T Okada, A Sakurai, N Shiozawa, M Suzuki, Y Takeuchi, H Takeuchi, Y Totsuka, Y Yamada, S Desai, S Earl, M Kearns, E Messier, MD Stone, JL Sulak, LR Walter, CW Goldhaber, A Barszczak, T Casper, D Gajewski, W Kropp, WR Mine, S Liu, DW Smy, MB Sobel, HW Vagins, MR Gago, A Ganezer, KS Keig, WE Ellsworth, RW Tasaka, S Kibayashi, A Learned, JG Matsuno, S Takemori, D Hayato, Y Ishii, T Kobayashi, T Maruyama, T Nakamura, K Obayashi, Y Oyama, Y Sakuda, M Yoshida, M Kohama, M Iwashita, T Suzuki, AT Ichikawa, A Inagaki, T Kato, I Nakaya, T Nishikawa, K Haines, TJ Dazeley, S Hatakeyama, S Svoboda, R Blaufuss, E Chen, ML Goodman, JA Guillian, G Sullivan, GW Turcan, D Scholberg, K Habig, A Ackermann, M Hill, J Jung, CK Malek, M Martens, K Mauger, C McGrew, C Sharkey, E Viren, B Yanagisawa, C Toshito, T Mitsuda, C Miyano, K Saji, C Shibata, T Kajiyama, Y Nagashima, Y Nitta, K Takita, M Kim, HI Kim, SB Yoo, J Okazawa, H Ishizuka, T Etoh, M Gando, Y Hasegawa, T Inoue, K Ishihara, K Shirai, J Suzuki, A Koshiba, M Hatakeyama, Y Ichikawa, Y Koike, M Nishijima, K Ishino, H Morii, M Nishimura, R Watanabe, Y Kielczewska, D Berns, HG Boyd, SC Stachyra, AL Wilkes, RJ TI Determination of solar neutrino oscillation parameters using 1496 days of Super-Kamiokande-I data SO PHYSICS LETTERS B LA English DT Article DE neutrino; solar neutrino; Super-Kamiokande ID DETECTOR; MATTER AB A number of different fits to solar neutrino mixing and mass square difference were performed using 1496 days of Super-Kamiokande-I's solar neutrino data. These data select two allowed areas at large neutrino mixing when combined with either the solar B-8 flux prediction of the standard solar model or the SNO interaction rate measurements. A global fit combining SK data with the solar neutrino interaction rates measured by Homestake, SNO, Gallex/GNO and SAGE prefers a single allowed area, the Large Mixing Angle solution, at the 98.9% confidence level. The mass square difference Deltam(2) between the two mass eigenstates ranges from about 3 to 19 X 10(-5) eV(2), while the mixing angle theta is in the range of tan(2)theta approximate to 0.25-0.65. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Calif State Univ Dominguez Hills, Dept Phys, Carson, CA 90747 USA. George Mason Univ, Dept Phys, Fairfax, VA 22030 USA. Gifu Univ, Dept Phys, Gifu 5011193, Japan. Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA. High Energy Accelerator Res Org, Inst Particle & Nucl Studies, Tsukuba, Ibaraki 3050801, Japan. Kobe Univ, Dept Phys, Kobe, Hyogo 6578501, Japan. Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87544 USA. Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. Univ Minnesota, Dept Phys, Duluth, MN 55812 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Nagoya Univ, Dept Phys, Nagoya, Aichi 4648602, Japan. Niigata Univ, Dept Phys, Niigata 9502181, Japan. Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. Seoul Natl Univ, Dept Phys, Seoul 151742, South Korea. Shizuoka Seika Coll, Shizuoka 4258611, Japan. Shizuoka Univ, Dept Syst Engn, Hamamatsu, Shizuoka 4328561, Japan. Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. Univ Tokyo, Tokyo 1130033, Japan. Tokai Univ, Dept Phys, Hiratsuka, Kanagawa 2591292, Japan. Tokyo Inst Technol, Dept Phys, Tokyo 1528551, Japan. Warsaw Univ, Inst Phys Expt, PL-00681 Warsaw, Poland. Univ Washington, Dept Phys, Seattle, WA 98195 USA. RP Boston Univ, Dept Phys, Boston, MA 02215 USA. EM nakahata@suketto.icrr.u-tokyo.ac.jp RI Takeuchi, Yasuo/A-4310-2011; Nakamura, Kenzo/F-7174-2010; Sobel, Henry/A-4369-2011; Suzuki, Yoichiro/F-7542-2010; Martens, Kai/A-4323-2011; Wilkes, R.Jeffrey/E-6011-2013; Kim, Soo-Bong/B-7061-2014; Sakurai, Nobuyuki/M-5009-2014; Ishino, Hirokazu/C-1994-2015; Koshio, Yusuke/C-2847-2015; Kibayashi, Atsuko/K-7327-2015; Obayashi, Yoshihisa/A-4472-2011; Yoo, Jonghee/K-8394-2016 OI Gago Medina, Alberto Martin/0000-0002-0019-9692; Sakurai, Nobuyuki/0000-0002-1002-217X; Ishino, Hirokazu/0000-0002-8623-4080; Koshio, Yusuke/0000-0003-0437-8505; NR 15 TC 649 Z9 654 U1 2 U2 18 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 JUL 18 PY 2002 VL 539 IS 3-4 BP 179 EP 187 AR PII S0370-2693(02)02090-7 DI 10.1016/S0370-2693(02)02090-7 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 576WT UT WOS:000177030700001 ER PT J AU Chekanov, S Krakauer, D Magill, S Musgrave, B Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Levi, G Margotti, A Nania, R Palmonari, F Pesci, A Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Crittenden, J Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kappes, A Katz, UF Kerger, R Kind, O Paul, E Rautenberg, J Renner, R Schnurbusch, H Stifutkin, A Tandler, J Voss, KC Weber, A Bailey, DS Brook, NH Cole, JE Foster, B Heath, GP Heath, HF Robins, S Rodrigues, E Scott, J Tapper, RJ Wing, M Capua, M Mastroberardino, A Schioppa, M Susinno, G Kim, JY Kim, YK Lee, JH Lim, IT Pac, MY Caldwell, A Helbich, M Liu, X Mellado, B Paganis, S Schmidke, WB Sciulli, R Chwastowski, J Eskreys, A Figiel, J Olkiewicz, K Przybycien, MB Stopa, P Zawiejski, L Adamczyk, L Bednarek, B Grabowska-Bold, I Jelen, K Kisielewska, D Kowal, AM Kowal, M Kowalski, T Mindur, B Przybycien, M Rulikowska-Zarebska, E Suszycki, L Szuba, D Szuba, J Kotanski, A Slominski, W Bauerdick, LAT Behrens, U Borras, K Chiochia, V Dannheim, D Derrick, M Drews, G Fourletova, J Fox-Murphy, A Fricke, U Geiser, A Goebel, F Gottlicher, P Gutsche, O Haas, T Hain, W Hartner, GF Hillert, S Kotz, U Kowalski, H Labes, H Lelas, D Lohr, B Mankel, R Martinez, M Moritz, M Notz, D Pellmann, IA Petrucci, MC Polini, A Raval, A Schneekloth, U Selonke, R Surrow, B Wessoleck, H Wichmann, R Wolf, G Youngman, C Zeuner, W Viani, ALD Meyer, A Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Coppola, N Raach, H Bell, M Bussey, PJ Doyle, AT Glasman, C Hanlon, S Lee, SW Lupi, A McCance, GJ Saxon, DH Skillicorn, IO Gialas, I Bodmann, B Carli, T Holm, U Klimek, K Krumnack, N Lohrmann, E Milite, M Salehi, H Stonjek, S Wick, K Ziegler, A Ziegler, A Collins-Tooth, C Foudas, C Goncalo, R Long, KR Metlica, F Miller, DB Tapper, AD Walker, R Cloth, P Filges, D Kuze, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Lim, H Son, D Barreiro, F Gonzalez, O Labarga, L del Peso, J Redondo, I Terron, J Vazquez, M Barbi, M Bertolin, A Corriveau, F Ochs, A Padhi, S Stairs, DG St-Laurent, M Tsurugai, T Antonov, A Bashkirov, V Danilov, P Dolgoshein, BA Gladkov, D Sosnovtsev, V Suchkov, S Dementiev, RK Ermolov, PF Golubkov, YA Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Vlasov, NN Zotkin, SA Bokel, C Engelen, J Grijpink, S Koffeman, E Kooijman, P Maddox, E Pellegrino, A Schagen, S Tassi, E Tiecke, H Tuning, N Velthuis, JJ Wiggers, L de Wolf, E Brummer, N Bylsma, B Durkin, LS Gilmore, J Ginsburg, CM Kim, CL Ling, TY Boogert, S Cooper-Sarkar, AM Devenish, RCE Ferrando, J Grzelak, G Matsushita, T Rigby, M Ruske, O Sutton, MR Walczak, R Brugnera, R Carlin, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Parenti, A Posocco, M Stanco, L Turcato, M Heaphy, EA Oh, BY Saull, PRB Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cormack, C Hart, JC McCubbin, NA Heusch, C Park, IH Pavel, N Abramowicz, H Dagan, S Gabareen, A Kananov, S Kreisel, A Levy, A Abe, T Fusayasu, T Kohno, T Umemori, K Yamashita, T Hamatsu, R Hirose, T Inuzuka, M Kitamura, S Matsuzawa, K Nishimura, T Arneodo, M Cartiglia, N Cirio, R Costa, M Ferrero, M Maselli, S Monaco, V Peroni, C Ruspa, M Sacchi, R Solano, A Staiano, A Galea, R Koop, T Levman, GM Martin, JF Mirea, A Sabetfakhri, A Butterworth, JM Gwenlan, C Hall-Wilton, R Jones, TW Lane, JB Lightwood, MS Loizides, JH West, BJ Ciborowski, J Ciesielski, R Nowak, RJ Pawlak, JM Smalska, B Sztuk, J Tymieniecka, I Ukleja, A Ukleja, J Zakrzewski, JA Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Gladilin, LK Hochman, D Karshon, U Kcira, D Lammers, S Li, L Reeder, DD Savin, AA Smith, WH Deshpande, A Dhawan, S Hughes, VW Straub, PB Bhadra, S Catterall, CD Fourletov, S Menary, S Soares, M Standage, J AF Chekanov, S Krakauer, D Magill, S Musgrave, B Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Levi, G Margotti, A Nania, R Palmonari, F Pesci, A Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Crittenden, J Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kappes, A Katz, UF Kerger, R Kind, O Paul, E Rautenberg, J Renner, R Schnurbusch, H Stifutkin, A Tandler, J Voss, KC Weber, A Bailey, DS Brook, NH Cole, JE Foster, B Heath, GP Heath, HF Robins, S Rodrigues, E Scott, J Tapper, RJ Wing, M Capua, M Mastroberardino, A Schioppa, M Susinno, G Kim, JY Kim, YK Lee, JH Lim, IT Pac, MY Caldwell, A Helbich, M Liu, X Mellado, B Paganis, S Schmidke, WB Sciulli, R Chwastowski, J Eskreys, A Figiel, J Olkiewicz, K Przybycien, MB Stopa, P Zawiejski, L Adamczyk, L Bednarek, B Grabowska-Bold, I Jelen, K Kisielewska, D Kowal, AM Kowal, M Kowalski, T Mindur, B Przybycien, M Rulikowska-Zarebska, E Suszycki, L Szuba, D Szuba, J Kotanski, A Slominski, W Bauerdick, LAT Behrens, U Borras, K Chiochia, V Dannheim, D Derrick, M Drews, G Fourletova, J Fox-Murphy, A Fricke, U Geiser, A Goebel, F Gottlicher, P Gutsche, O Haas, T Hain, W Hartner, GF Hillert, S Kotz, U Kowalski, H Labes, H Lelas, D Lohr, B Mankel, R Martinez, M Moritz, M Notz, D Pellmann, IA Petrucci, MC Polini, A Raval, A Schneekloth, U Selonke, R Surrow, B Wessoleck, H Wichmann, R Wolf, G Youngman, C Zeuner, W Viani, ALD Meyer, A Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Coppola, N Raach, H Bell, M Bussey, PJ Doyle, AT Glasman, C Hanlon, S Lee, SW Lupi, A McCance, GJ Saxon, DH Skillicorn, IO Gialas, I Bodmann, B Carli, T Holm, U Klimek, K Krumnack, N Lohrmann, E Milite, M Salehi, H Stonjek, S Wick, K Ziegler, A Ziegler, A Collins-Tooth, C Foudas, C Goncalo, R Long, KR Metlica, F Miller, DB Tapper, AD Walker, R Cloth, P Filges, D Kuze, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Lim, H Son, D Barreiro, F Gonzalez, O Labarga, L del Peso, J Redondo, I Terron, J Vazquez, M Barbi, M Bertolin, A Corriveau, F Ochs, A Padhi, S Stairs, DG St-Laurent, M Tsurugai, T Antonov, A Bashkirov, V Danilov, P Dolgoshein, BA Gladkov, D Sosnovtsev, V Suchkov, S Dementiev, RK Ermolov, PF Golubkov, YA Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Vlasov, NN Zotkin, SA Bokel, C Engelen, J Grijpink, S Koffeman, E Kooijman, P Maddox, E Pellegrino, A Schagen, S Tassi, E Tiecke, H Tuning, N Velthuis, JJ Wiggers, L de Wolf, E Brummer, N Bylsma, B Durkin, LS Gilmore, J Ginsburg, CM Kim, CL Ling, TY Boogert, S Cooper-Sarkar, AM Devenish, RCE Ferrando, J Grzelak, G Matsushita, T Rigby, M Ruske, O Sutton, MR Walczak, R Brugnera, R Carlin, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Parenti, A Posocco, M Stanco, L Turcato, M Heaphy, EA Oh, BY Saull, PRB Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cormack, C Hart, JC McCubbin, NA Heusch, C Park, IH Pavel, N Abramowicz, H Dagan, S Gabareen, A Kananov, S Kreisel, A Levy, A Abe, T Fusayasu, T Kohno, T Umemori, K Yamashita, T Hamatsu, R Hirose, T Inuzuka, M Kitamura, S Matsuzawa, K Nishimura, T Arneodo, M Cartiglia, N Cirio, R Costa, M Ferrero, M Maselli, S Monaco, V Peroni, C Ruspa, M Sacchi, R Solano, A Staiano, A Galea, R Koop, T Levman, GM Martin, JF Mirea, A Sabetfakhri, A Butterworth, JM Gwenlan, C Hall-Wilton, R Jones, TW Lane, JB Lightwood, MS Loizides, JH West, BJ Ciborowski, J Ciesielski, R Nowak, RJ Pawlak, JM Smalska, B Sztuk, J Tymieniecka, I Ukleja, A Ukleja, J Zakrzewski, JA Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Gladilin, LK Hochman, D Karshon, U Kcira, D Lammers, S Li, L Reeder, DD Savin, AA Smith, WH Deshpande, A Dhawan, S Hughes, VW Straub, PB Bhadra, S Catterall, CD Fourletov, S Menary, S Soares, M Standage, J CA ZEUS Collaboration TI Measurement of high-Q(2) charged current cross sections in e(-)p deep inelastic scattering at HERA SO PHYSICS LETTERS B LA English DT Article ID CENTRAL TRACKING DETECTOR; LUND MONTE-CARLO; PARTON DISTRIBUTIONS; JET FRAGMENTATION; EVENT GENERATOR; EP INTERACTIONS; ZEUS BARREL; E+E-PHYSICS; NUCLEON; PROTON AB Cross sections for e(-)p charged current deep inelastic scattering have been measured at a centre-of-mass energy of 318 GeV with an integrated luminosity of 16.4 pb(-1) using the ZEUS detector at HERA. Differential cross sections dsigma/dQ(2), dsigma/dx and dsigma/dy are presented for Q(2) > 200 GeV2. In addition, d(2)sigma/(dxdQ(2)) was measured in the kinematic range 280 GeV2 < Q(2) < 30000 GeV2 and 0.015 < x < 0.42. The predictions of the Standard Model agree well with the measured cross sections. The mass of the W boson, determined from a fit to dsigma/dQ(2), is M-W = 80.3 +/- 2.1 (stat.) +/- 1.2(syst.) +/- 1.0(PDF) GeV. (C) 2002 Published by Elsevier Science B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Univ Bologna, Bologna, Italy. Ist Nazl Fis Nucl, I-40126 Bologna, Italy. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Bristol, HH Wills Phys Lab, Bristol, Avon, England. Univ Calabria, Dept Phys, Calabria, Italy. Ist Nazl Fis Nucl, Cosenza, Italy. Chonnam Natl Univ, Kwangju 500757, South Korea. Columbia Univ, Nevis Lab, New York, NY 10027 USA. Inst Phys Nucl, Krakow, Poland. Univ Min & Met Krakow, Fac Phys & Nucl Tech, Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY Zeuthen, Zeuthen, Germany. Univ Florence, Florence, Italy. Ist Nazl Fis Nucl, I-50125 Florence, Italy. Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. Univ Aegean, Dept Engn Management & Finance, Aegean, Germany. Univ Hamburg, Inst Phys Expt, Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. Forschungszentrum Julich, Inst Kernphys, Julich, Germany. KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Kyungpook Natl Univ, Taegu 702701, South Korea. Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Meiji Gakuin Univ, Fac Gen Educ, Yokohama, Kanagawa, Japan. Moscow Phys Engn Inst, Moscow, Russia. Moscow MV Lomonosov State Univ, Inst Phys Nucl, Moscow, Russia. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Univ Amsterdam, NL-1009 AT Amsterdam, Netherlands. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Univ Oxford, Dept Phys, Oxford, England. Univ Padua, Dipartimento Fis, Padua, Italy. Ist Nazl Fis Nucl, Padua, Italy. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Polytech Univ, Sagamihara, Kanagawa, Japan. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, Rome, Italy. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. Seoul Natl Univ, Seoul, South Korea. Univ Siegen, Fachbereich Phys, D-5900 Siegen, Germany. Tel Aviv Univ, Raymond & Beverly Sackler Fac Exact Sci, Sch Phys, IL-69978 Tel Aviv, Israel. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo 158, Japan. Univ Turin, Dipartimento Fis Sperimentale, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. UCL, Dept Phys & Astron, London, England. Warsaw Univ, Inst Phys Expt, Warsaw, Poland. Inst Nucl Studies, PL-00681 Warsaw, Poland. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Yale Univ, Dept Phys, New Haven, CT 06520 USA. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM brian.foster@desy.de RI De Pasquale, Salvatore/B-9165-2008; Wing, Matthew/C-2169-2008; Bashkirov, Vladimir/A-4818-2008; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; collins-tooth, christopher/A-9201-2012; Ferrando, James/A-9192-2012; Golubkov, Yury/E-1643-2012; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Katz, Uli/E-1925-2013; Gladilin, Leonid/B-5226-2011; Suchkov, Sergey/M-6671-2015; dusini, stefano/J-3686-2012; Goncalo, Ricardo/M-3153-2016; Capua, Marcella/A-8549-2015; OI De Pasquale, Salvatore/0000-0001-9236-0748; Wiggers, Leo/0000-0003-1060-0520; Ferrando, James/0000-0002-1007-7816; Katz, Uli/0000-0002-7063-4418; Gladilin, Leonid/0000-0001-9422-8636; dusini, stefano/0000-0002-1128-0664; Goncalo, Ricardo/0000-0002-3826-3442; Capua, Marcella/0000-0002-2443-6525; Li, Liang/0000-0001-6411-6107; Gutsche, Oliver/0000-0002-8015-9622 NR 47 TC 56 Z9 56 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 JUL 18 PY 2002 VL 539 IS 3-4 BP 197 EP 217 AR PII S0370-2693(02)02093-2 DI 10.1016/S0370-2693(02)02093-2 PG 21 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 576WT UT WOS:000177030700003 ER PT J AU Aitala, EM Amato, S Anjos, JC Appel, JA Ashery, D Banerjee, S Bediaga, I Blaylock, G Bracker, SB Burchat, PR Burnstein, RA Carter, T Carvalho, HS Copty, NK Cremaldi, LM Darling, C Denisenko, K Devmal, S Fernandez, A Fox, GF Gagnon, P Gobel, C Gounder, K Halling, AM Herrera, G Hurvits, G James, C Kasper, PA Kwan, S Langs, DC Leslie, J Lundberg, B Magnin, J Massafferri, A MayTal-Beck, S Meadows, B Neto, JRTD Mihalcea, D Milburn, RH de Miranda, JM Napier, A Nguyen, A d'Oliveira, AB O'Shaughnessy, K Peng, KC Perera, LP Purohit, MV Quinn, B Radeztsky, S Rafatian, A Reay, NW Reidy, JJ dos Reis, AC Rubin, HA Sanders, DA Santha, AKS Santoro, AFS Schwartz, AJ Sheaff, M Sidwell, RA Slaughter, AJ Sokoloff, MD Salinas, CJS Stanton, NR Stefanski, RJ Stenson, K Summers, DJ Takach, S Thorne, K Tripathi, AK Watanabe, S Weiss-Babai, R Wiener, J Witchey, N Wolin, E Yang, SM Yi, D Yoshida, S Zaliznyak, R Zhang, C AF Aitala, EM Amato, S Anjos, JC Appel, JA Ashery, D Banerjee, S Bediaga, I Blaylock, G Bracker, SB Burchat, PR Burnstein, RA Carter, T Carvalho, HS Copty, NK Cremaldi, LM Darling, C Denisenko, K Devmal, S Fernandez, A Fox, GF Gagnon, P Gobel, C Gounder, K Halling, AM Herrera, G Hurvits, G James, C Kasper, PA Kwan, S Langs, DC Leslie, J Lundberg, B Magnin, J Massafferri, A MayTal-Beck, S Meadows, B Neto, JRTD Mihalcea, D Milburn, RH de Miranda, JM Napier, A Nguyen, A d'Oliveira, AB O'Shaughnessy, K Peng, KC Perera, LP Purohit, MV Quinn, B Radeztsky, S Rafatian, A Reay, NW Reidy, JJ dos Reis, AC Rubin, HA Sanders, DA Santha, AKS Santoro, AFS Schwartz, AJ Sheaff, M Sidwell, RA Slaughter, AJ Sokoloff, MD Salinas, CJS Stanton, NR Stefanski, RJ Stenson, K Summers, DJ Takach, S Thorne, K Tripathi, AK Watanabe, S Weiss-Babai, R Wiener, J Witchey, N Wolin, E Yang, SM Yi, D Yoshida, S Zaliznyak, R Zhang, C CA Fermilab E791 Collaboration TI Differential cross sections, charge production asymmetry, and spin-density matrix elements for D*(+/-)(2010) produced in 500 GeV/c pi(-)-nucleon interactions SO PHYSICS LETTERS B LA English DT Article DE charm hadroproduction; differential cross section; spin alignment; polarization ID D-STAR; SYSTEM; PI AB We report differential cross sections for the production of D*+/- (2010) produced in 500 GeV/c pi(-)-nucleon interactions from experiment E791 at Fermilab, as functions of Feynman-x (x(F)) and transverse momentum squared (p(T)(2)). We also report the D*+/- charge asymmetry and spin-density matrix elements as functions of these variables. Investigation of the spin-density matrix elements shows no evidence of polarization. The average values of the spin alignment are [eta] = 0.01 +/- 0.02 and -0.01 +/- 0.02 for leading and non-leading particles, respectively. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. CINVESTAV, Mexico City 07000, DF, Mexico. Univ Fed Itajuba, Itajuba, Brazil. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. IIT, Chicago, IL 60616 USA. Kansas State Univ, Manhattan, KS 66506 USA. Univ Massachusetts, Amherst, MA 01003 USA. Univ Mississippi, Mississippi State, MS 38677 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Autonoma Puebla, Puebla 72570, Mexico. Univ Republica, Montevideo, Uruguay. Univ S Carolina, Columbia, SC 29208 USA. Stanford Univ, Stanford, CA 94305 USA. Tel Aviv Univ, IL-69978 Tel Aviv, Israel. Tufts Univ, Medford, MA 02155 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Aitala, EM (reprint author), Ctr Brasileiro Pesquisas Fis, Rua Xavier Sigaud 150, Rio De Janeiro, Brazil. RI Anjos, Joao/C-8335-2013; de Mello Neto, Joao/C-5822-2013; Gobel Burlamaqui de Mello, Carla /H-4721-2016; Fernandez Tellez, Arturo/E-9700-2017 OI de Mello Neto, Joao/0000-0002-3234-6634; Gobel Burlamaqui de Mello, Carla /0000-0003-0523-495X; Fernandez Tellez, Arturo/0000-0003-0152-4220 NR 22 TC 10 Z9 10 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 JUL 18 PY 2002 VL 539 IS 3-4 BP 218 EP 226 AR PII S0370-2693(02)02102-0 DI 10.1016/S0370-2693(02)02102-0 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 576WT UT WOS:000177030700004 ER PT J AU Leibovich, AK Ligeki, Z Wise, MB AF Leibovich, AK Ligeki, Z Wise, MB TI Enhanced subleading structure functions in semileptonic B decay SO PHYSICS LETTERS B LA English DT Article ID UB-VERTICAL-BAR; V-UB; PHOTON SPECTRUM; INCLUSIVE DECAYS; LEPTON SPECTRUM; QCD; B->X(S)GAMMA; MESONS; DISTRIBUTIONS; B->X-S-GAMMA AB The charged lepton spectrum in semileptonic B --> X(u)l (nu) over bar decay near maximal lepton energy receives important corrections from subleading structure functions that are formally suppressed by powers of Lambda(QCD)/m(b) but are enhanced by numerical factors. We investigate the series of higher order terms which smear over a region of width DeltaE(l) similar to Lambda(QCD) near the endpoint the contributions proportional to delta(E-l - m(b)/2) times (i) the matrix element of the chromomagnetic operator, and (ii) four-quark operators. These contribute to the total rate at the few percent level, but affect the endpoint region much more significantly. Implications for the determination of \V-ub\ are discussed. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Theory Grp, Batavia, IL 60510 USA. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. CALTECH, Pasadena, CA 91125 USA. RP Fermilab Natl Accelerator Lab, Theory Grp, Batavia, IL 60510 USA. EM adam@fhal.gov; zligeti@lbl.gov; wise@theory.caltech.edu NR 26 TC 55 Z9 55 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 JUL 18 PY 2002 VL 539 IS 3-4 BP 242 EP 248 AR PII S0370-2693(02)02097-X DI 10.1016/S0370-2693(02)02097-X PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 576WT UT WOS:000177030700007 ER PT J AU Wang, CM Mitomo, M AF Wang, CM Mitomo, M TI Atomic structural environment of Y in the residual glass phase of silicon nitride and alpha-sialon SO ACTA MATERIALIA LA English DT Article DE silicon nitride; sialon; Y2O3; EXAFS ID X-RAY-ABSORPTION; INTERGRANULAR FILM THICKNESS; FINE-STRUCTURE; GRAIN-BOUNDARIES; SI3N4 CERAMICS; EXAFS; MICROSTRUCTURE; MICROSCOPY; YTTRIUM; ALUMINA AB The atomic structural environments around Y ions in the residual glass phase of Si3N4 and alpha-sialon densified with Y2O3 and Al2O3 have been investigated using extended X-ray absorption fine structure (EXAFS). In the residual glass phase, on average, the Y-O/N nearest neighbor bond length is determined to be 2.30 Angstrom, which corresponds to the Y-O bond length in cubic Y2O3, indicating that O is the dominant nearest neighbor of Y. The fitted apparent Y-O/N nearest neighbor coordination number is similar to4, which is apparently lower than that when Y is dissolved in a bulk glass, indicating that Y occupies substitutional Si sites. It is also further suggested that the Y-O/N polyhedron in the residual glass phase in silicon nitride and alpha-sialon is more distorted in comparison with that when Y is dissolved in a bulk glass phase. (C) 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved. C1 Lehigh Univ, Mat Res Ctr, Bethlehem, PA 18015 USA. NIMS, Adv Mat Lab, Tsukuba, Ibaraki 305, Japan. RP Wang, CM (reprint author), Pacific NW Natl Lab, POB 999,Mail Stop K8-93, Richland, WA 99352 USA. NR 38 TC 2 Z9 5 U1 0 U2 2 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 JUL 17 PY 2002 VL 50 IS 12 BP 3151 EP 3158 AR PII S1359-6454(02)00126-X PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 576QU UT WOS:000177017100008 ER PT J AU Liu, CT Fu, CL Pike, LM Easton, DS AF Liu, CT Fu, CL Pike, LM Easton, DS TI Magnetism-induced solid solution effects in intermetallic Ni60Al40 SO ACTA MATERIALIA LA English DT Article DE casting; Ab initio; intermetallic compounds; magnetic properties; mechanical properties ID TRANSITION-METAL ALUMINIDES; PLANE-WAVE METHOD; ALLOYING ADDITIONS; ELECTRON; STRENGTH; PHASES; FEAL AB In this study, experimental work on solute effects in an intermetallic alloy, NiAl, has been complemented by first-principles quantum mechanical calculations to investigate the effect of iron and cobalt solutes on lattice parameter and hardening. Ternary additions of iron and cobalt with similar atomic sizes were added to replace nickel in NiAl containing 40% Al. Cobalt solutes did not affect the lattice parameter or the hardening behavior of NiAl alloys. Iron solutes, on the other hand, substantially expanded the lattice, resulting in unusual solid solution softening. These results could not be explained from a consideration of the size mismatch based on the Goldschmidt radii for iron and cobalt atoms. From the contrasting behavior of the iron and cobalt solutes, magnetic interactions induced by iron atoms located on the aluminum sublattice have been identified as a new factor responsible for the unusual large lattice dilation and resultant solid solution softening in these intermetallic alloys. (C) 2002 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Liu, CT (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM liuct@ornl.gov OI Liu, Chain Tsuan/0000-0001-7888-9725 NR 21 TC 12 Z9 12 U1 1 U2 2 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 JUL 17 PY 2002 VL 50 IS 12 BP 3203 EP 3210 AR PII S1359-6454(02)00136-2 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 576QU UT WOS:000177017100012 ER PT J AU Konya, Z Vesselenyi, I Niesz, K Kukovecz, A Demortier, A Fonseca, A Delhalle, J Mekhalif, Z Nagy, JB Koos, AA Osvath, Z Kocsonya, A Biro, LP Kiricsi, I AF Konya, Z Vesselenyi, I Niesz, K Kukovecz, A Demortier, A Fonseca, A Delhalle, J Mekhalif, Z Nagy, JB Koos, AA Osvath, Z Kocsonya, A Biro, LP Kiricsi, I TI Large scale production of short functionalized carbon nanotubes SO CHEMICAL PHYSICS LETTERS LA English DT Article ID COMPOSITES AB A simple mechano-chemical modification of multiwall carbon nanotubes is described. The use of ball-milling in specific atmosphere allows us to introduce functional groups like thiol, amine, amide, carbonyl, chlorine, etc. onto carbon nanotubes. The resulted functional groups are characterized using infrared spectroscopy and X-ray photoelectron spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Szeged, Dept Appl & Environm Chem, H-6720 Szeged, Hungary. Fac Univ Notre Dame Paix, B-5000 Namur, Belgium. Res Inst Tech Phys & Mat Sci, H-1525 Budapest, Hungary. KFKI Res Inst Particle & Nucl Phys, H-1525 Budapest, Hungary. RP Konya, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS-66, Berkeley, CA 94720 USA. RI Biro, Laszlo/A-3057-2010; Osvath, Zoltan/E-7322-2011; Koos, Antal/A-5865-2011; Konya, Zoltan/C-2492-2009; OI Osvath, Zoltan/0000-0003-0440-5446; Koos, Antal/0000-0003-0563-948X; Konya, Zoltan/0000-0002-9406-8596; Biro, Laszlo Peter/0000-0001-7261-0420 NR 15 TC 137 Z9 137 U1 5 U2 28 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 JUL 17 PY 2002 VL 360 IS 5-6 BP 429 EP 435 AR PII S0009-2614(02)00900-4 DI 10.1016/S0009-2614(02)00900-4 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 580QA UT WOS:000177244200003 ER PT J AU Ghaddar, TH Wishart, JF Thompson, DW Whitesell, JK Fox, MA AF Ghaddar, TH Wishart, JF Thompson, DW Whitesell, JK Fox, MA TI A dendrimer-based electron antenna: Paired electron-transfer reactions in dendrimers with a 4,4 '-bipyridine core and naphthalene peripheral groups SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SITE-ISOLATION; CHROMOPHORES; ARCHITECTURE; MICROSCOPY; COMPLEXES; STORAGE; UNITS; IONS AB Paired electron transfers (ET) induced by the absorption of two photons by synthetic dendrimers are observed in first-, second-, and third-generation dendrimers comprised of a viologen-like core and an array of naphthalene peripheral groups. Flash photolysis and transient absorption techniques show that the yield of photoinduced double ET depends on laser intensity in the two largest dendrimers, NBV2(+2) and NBV3(+2). Their photochemical behavior thus requires an unusual multiphoton kinetic scheme. These dendrimers constitute the first synthetic models capable of multiple electron redox events deriving from a defined molecular architecture, thus mimicking natural light-collecting antenna systems. C1 N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Rutgers State Univ, Dept Chem, Piscataway, NJ 08854 USA. RP Fox, MA (reprint author), N Carolina State Univ, Dept Chem, Box 8204, Raleigh, NC 27695 USA. RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 39 TC 72 Z9 73 U1 1 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 17 PY 2002 VL 124 IS 28 BP 8285 EP 8289 DI 10.1021/ja020103c PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 573QW UT WOS:000176843200022 PM 12105908 ER PT J AU Fontenot, CJ Wiench, JW Schrader, GL Pruski, M AF Fontenot, CJ Wiench, JW Schrader, GL Pruski, M TI O-17 MAS and 3QMAS NMR investigation of crystalline V2O5 and layered V2O5 center dot nH(2)O gels SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID VANADIUM PENTOXIDE GELS; NUCLEAR-MAGNETIC-RESONANCE; ANGLE-SPINNING NMR; CHEMICAL-SHIFT TENSOR; QUADRUPOLAR NUCLEI; HIGH-FIELD; PEROXOVANADATE PRECURSORS; 001 PLANE; SOLIDS; V-51 AB The environments for oxygen sites in crystalline V2O5 and in layered vanadia gels produced via sol-gel synthesis have been investigated using O-17 MAS and 3QMAS NMR. For crystalline V2O5, three structural oxygen sites were observed: V=O (vanadyl), V2O (doubly coordinated), and V3O (triply coordinated). Line-shape parameters for these sites were determined from numerical simulations of the MAS spectra. For the vanadia gels at various stages of dehydration, assignments have been proposed for numerous vanadyl, doubly coordinated, and triply coordinated oxygen sites. In addition, by correlating the O-17 MAS and 3QMAS NMR, V-51 MAS NMR, and thermogravimetric analysis data, the coordination of water sites has been established. On the basis of these results, the gel structure and its evolution at various stages of hydration have been detailed. Upon rehydration of the layered gel, we observed a preferred site for initial water readsorption. The oxygen atoms of these readsorbed water molecules readily exchanged into all types of oxygen sites even at room temperature. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem Engn, Ames, IA 50011 USA. RP Pruski, M (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. NR 51 TC 34 Z9 34 U1 0 U2 14 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 JUL 17 PY 2002 VL 124 IS 28 BP 8435 EP 8444 DI 10.1021/ja0265254 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 573QW UT WOS:000176843200039 PM 12105925 ER PT J AU Montgomery, HJ Guillemette, JG Bartlett, R Squier, TC AF Montgomery, HJ Guillemette, JG Bartlett, R Squier, TC TI Oxidized calmodulin mutants differentially regulate constitutive nitric oxide synthases. SO BIOCHEMISTRY LA English DT Meeting Abstract C1 Univ Waterloo, Dept Chem, Waterloo, ON N2L 3G1, Canada. Univ Kansas, Lawrence, KS 66045 USA. Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD JUL 16 PY 2002 VL 41 IS 28 MA 68 BP 8975 EP 8976 PG 2 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 572LW UT WOS:000176777000087 ER PT J AU Laskin, J Denisov, EV Shukla, AK Barlow, SE Futrell, JH AF Laskin, J Denisov, EV Shukla, AK Barlow, SE Futrell, JH TI Surface-induced dissociation in a Fourier transform ion cyclotron resonance mass spectrometer: Instrument design and evaluation SO ANALYTICAL CHEMISTRY LA English DT Article ID PROTONATED PEPTIDES; FUNNEL INTERFACE; POLYATOMIC IONS; FRAGMENTATION; PERFORMANCE; COLLISIONS; ENERGIES AB A new Fourier transform ion cyclotron resonance mass spectrometer (FTICR MS) has been constructed in our laboratory. The instrument employs surface-induced dissociation (SID) as an activation method for obtaining structural information on biomolecules in the gas phase. Tandem SID mass spectra can be acquired using either a continuous or a pulsed mode of operation. Collision energy of precursor ion is controlled by a de offset of the ICR cell. Ibis approach eliminates defocusing of the ion beam by the ion-transfer optics as a function of ion kinetic energy and constitutes a significant improvement over our previous experimental setup. Furthermore, it can be easily implemented on any FTICR mass spectrometer. Very high signal-to-noise ratios of 200-500 were obtained in single-scan SID mass spectra of model peptides with acquisition time less than 1.1 s. Reasonable SID signal was detected in single-scan spectra with total acquisition time of only 0.3 s. The high signal-to-noise ratio and the fast acquisition time point on a potential application of SID for high-throughput studies in FTICR MS. C1 Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Laskin, J (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, POB 999,K8-96, Richland, WA 99352 USA. RI Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 20 TC 76 Z9 76 U1 0 U2 9 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 JUL 15 PY 2002 VL 74 IS 14 BP 3255 EP 3261 AR UNSP AC025514Q DI 10.1021/ac025514q PG 7 WC Chemistry, Analytical SC Chemistry GA 573TD UT WOS:000176846200001 PM 12139026 ER PT J AU Francoeur, S Norman, AG Mascarenhas, A Jones, ED Reno, JL Lee, SR Follstaedt, DM AF Francoeur, S Norman, AG Mascarenhas, A Jones, ED Reno, JL Lee, SR Follstaedt, DM TI Two-dimensional array of self-assembled AlInAs quantum wires SO APPLIED PHYSICS LETTERS LA English DT Article ID SHORT-PERIOD SUPERLATTICES; LATERAL COMPOSITION MODULATION; OPTICAL-PROPERTIES; GROWTH AB We present the optical and structural characterization of a two-dimensional array of self-organized AlInAs quantum wires. The structure was created by epitaxially stacking along the [001] direction thin self-assembled, [100]-oriented, superlattices separated by homogeneous layers of Al0.48In0.52As. Vertical and lateral self-alignment results in a highly regular array of wires oriented along the [010] direction. The wire cross-sectional dimensions are about 10x14.4 nm(2) and their density is 1.9x10(11) cm(-2). The energy and the nature of the electronic transitions are significantly affected by confinement in two dimensions: (1) a blueshift of about 100 meV is observed and (2) the two lowest energy transitions are both polarized along the [010] direction. For comparison, the two lowest energy transitions of a lateral superlattice with similar characteristics have a heavy- (polarization along [010]) and a light-hole character (polarization along [100]). Large polarization ratios are measured for both transitions. (C) 2002 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Francoeur, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Norman, Andrew/F-1859-2010; Francoeur, Sebastien/E-6614-2011 OI Norman, Andrew/0000-0001-6368-521X; Francoeur, Sebastien/0000-0002-6129-7026 NR 16 TC 4 Z9 4 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 15 PY 2002 VL 81 IS 3 BP 529 EP 531 DI 10.1063/1.1493222 PG 3 WC Physics, Applied SC Physics GA 569JQ UT WOS:000176599600047 ER PT J AU Kanemitsu, Y Matsubara, H White, CW AF Kanemitsu, Y Matsubara, H White, CW TI Optical properties of Mn-doped CdS nanocrystals fabricated by sequential ion implantation SO APPLIED PHYSICS LETTERS LA English DT Article ID GAAS NANOCRYSTALS; BEAM SYNTHESIS; LUMINESCENCE; EMISSION; ZNS-MN2+; MATRICES; SIO2; ZNS AB We have studied luminescence spectrum and dynamics of Mn-doped CdS nanocrystals fabricated by sequential Cd+, S+, and Mn+ ion implantation into Al2O3 matrices. The photoluminescence (PL) due to the Mn2+ intra-3d transition is clearly observed near 570 nm in Mn-doped CdS nanocrystals. The PL excitation spectrum of the Mn2+ luminescence in Mn-doped CdS nanocrystals is similar to the optical absorption spectrum and PL excitation spectrum of undoped CdS nanocrystals. Our spectroscopic data show that ion-beam synthesis is one of the methods of the fabrication of doped semiconductor nanocrystals. The luminescence mechanism of Mn-doped CdS nanocrystals will be discussed. (C) 2002 American Institute of Physics. C1 Nara Inst Sci & Technol, Grad Sch Mat Sci, Nara 6300101, Japan. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Kanemitsu, Y (reprint author), Nara Inst Sci & Technol, Grad Sch Mat Sci, 8916-5 Takayama, Nara 6300101, Japan. NR 16 TC 57 Z9 57 U1 2 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 15 PY 2002 VL 81 IS 3 BP 535 EP 537 DI 10.1063/1.1494468 PG 3 WC Physics, Applied SC Physics GA 569JQ UT WOS:000176599600049 ER PT J AU Hartmann, C Johnk, L Kitange, G Wu, YH Ashworth, LK Jenkins, RB Louis, DN AF Hartmann, C Johnk, L Kitange, G Wu, YH Ashworth, LK Jenkins, RB Louis, DN TI Transcript map of the 3.7-mb D19S112-D19S246 candidate tumor suppressor legion on the long arm of chromosome 19 SO CANCER RESEARCH LA English DT Article ID DOMAIN-CONTAINING PROTEINS; EXPRESSED SEQUENCE TAGS; HUMAN OVARIAN-CANCER; HUMAN GLIOMAS; OLIGODENDROGLIAL TUMORS; MOLECULAR-CLONING; HOMEOBOX GENE; 19Q; 19Q13.3; REGION AB Allelic losses of the q13.3 region of chromosome 19 have been documented in malignant gliomas, neuroblastomas, and ovarian carcinomas, strongly suggesting the presence of a 19q13.3 tumor suppressor gene. Deletion mapping in tumors over the past decade has narrowed the candidate region considerably but has produced partially conflicting results, with some small candidate regions defined only by isolated tumors with deletions. Mutation and expression screening of genes from the most likely candidate regions has failed to identify the gene of interest, perhaps because of the conflicting deletion mapping data. The recently increased public availability of human genomic sequence, combined with improved bioinformatics capabilities, has now made it possible to map much larger candidate regions in considerable detail. We have manually generated a transcript map that spans most of the 19q13.3 tumor suppressor candidate region, from D19S219 to D19S246, with a resolution and quality superior to that of computer-generated maps. These results are presented in the hope that an improved map of the candidate region will facilitate further widespread screening and eventual identification of the gene or genes deleted in human gliomas, neuroblastomas, and ovarian cancers. C1 Massachusetts Gen Hosp, Mol Neurooncol Lab, Dept Pathol, Boston, MA 02129 USA. Massachusetts Gen Hosp, Neurosurg Serv, Boston, MA 02129 USA. Harvard Univ, Sch Med, Boston, MA 02129 USA. Mayo Clin & Mayo Fdn, Div Lab Genet, Rochester, MN 55905 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. RP Louis, DN (reprint author), Massachusetts Gen Hosp, Mol Neurooncol Lab, Dept Pathol, CNY6,149 13th St, Charlestown, MA 02129 USA. EM louis@helix.mgh.harvard.edu RI Hartmann, Christian/D-1882-2010 FU NCI NIH HHS [CA69285, CA85799] NR 50 TC 49 Z9 52 U1 0 U2 1 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 JUL 15 PY 2002 VL 62 IS 14 BP 4100 EP 4108 PG 9 WC Oncology SC Oncology GA 574CU UT WOS:000176871500034 PM 12124348 ER PT J AU Ortiz, G Gubernatis, JE Knill, E Laflamme, R AF Ortiz, G Gubernatis, JE Knill, E Laflamme, R TI Simulating fermions on a quantum computer SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article; Proceedings Paper CT Workshop on Quantum Computation for Physical Modeling CY OCT 18-19, 2000 CL N FALMOUTH, MA ID SYSTEMS; UNIVERSAL; COMPUTATION; TRANSFORMATION; MECHANICS; PHYSICS; HELIUM; GATES AB The real-time probabilistic simulation of quantum systems in classical computers is known it) be limited by the so-called dynamical sign problem, a problem leading to exponential complexity. In 1981 Richard Feynman raised some provocative questions in connection to the "exact imitation" of such systems using a special device named a "quantum computer". Feynman hesitated about the possibility of imitating fermion systems using such a device. Here we address some of his concerns and, in particular, investigate the simulation of fermionic systems. We show how quantum computers avoid the sign problem in some cases by reducing the complexity from exponential to polynomial. Our demonstration is based upon the use of isomorphisms of algebras. We present specific quantum algorithms that illustrate the main points of our algebraic approach. (C) 2002 Published by Elsevier Science B.V. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Ortiz, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM ortiz@viking.lanl.gov NR 45 TC 2 Z9 2 U1 2 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUL 15 PY 2002 VL 146 IS 3 BP 302 EP 316 AR PII S0010-4655(02)00421-6 DI 10.1016/S0010-4655(02)00421-6 PG 15 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 580XX UT WOS:000177263000004 ER PT J AU Berman, GP Doolen, GD Lopez, GV Tsifrinovich, VI AF Berman, GP Doolen, GD Lopez, GV Tsifrinovich, VI TI A quantum full adder for a scalable nuclear spin quantum computer SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article; Proceedings Paper CT Workshop on Quantum Computation for Physical Modeling CY OCT 18-19, 2000 CL N FALMOUTH, MASSACHUSETTS DE qubit; full adder; quantum computer AB We demonstrate a strategy for implementation a quantum full adder in a,pin chain quantum computer. As an example, we simulate a quantum full adder in a chain containing 201 spins. Our simulations also demonstrate how one can minimize errors generated by non-resonant effects. (C) 2002 Published by Elsevier Science B.V. C1 Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. Univ Guadalajara, Dept Fis, Guadalajara 44430, Jalisco, Mexico. Polytech Univ, Metrotech Ctr 6, IDS Dept, Brooklyn, NY 11201 USA. RP Berman, GP (reprint author), Los Alamos Natl Lab, CNLS, T-13, Los Alamos, NM 87545 USA. NR 8 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUL 15 PY 2002 VL 146 IS 3 BP 324 EP 330 AR PII S0010-4655(02)00423-X DI 10.1016/S0010-4655(02)00423-X PG 7 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 580XX UT WOS:000177263000006 ER PT J AU Vairavamurthy, A Wang, S AF Vairavamurthy, A Wang, S TI Organic nitrogen in geomacromolecules: Insights on speciation and transformation with K-edge XANES spectroscopy SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; PETROLEUM ASPHALTENES; HUMIC SUBSTANCES; SULFUR; COAL; SOIL; MATTER; FUNCTIONALITY; SEDIMENTS; PROTEIN AB Organic nitrogen incorporated into geomacromolecules (e.g., humic substances, kerogen) represents a major reservoir of nitrogen on the earth's surface, accounting for more than 90% of the total nitrogen in soils, sediments, and aquatic environments. Its primary source is biochemical nitrogen from dead plant and animal residues (predominantly proteinaceous substances), which undergo a complex series of transformations, mediated by microbes and abiotic processes, ultimately resulting in the incorporation of the nonmineralized fraction into geomacromolecules. Simultaneously,the biochemical N is thought to be extensively altered structurally, forming more stable structures (such as heterocyclic forms), although the type of changes in chemical speciation, their timing, and mechanisms are not clear. It is important to have this knowledge because the type of N formed influences not only its reactivity and fate (e.g., the release of bioavailable N in soils) but also the physical and chemical characteristics of the associated macromolecular organic matter. We used nitrogen K-edge XANES spectroscopy (a selective, sensitive, and nondestructive method) to gain new insights into the speciation of this macromolecular nitrogen. Our results verified amide N as being the dominant type in humic substances and sediments but revealed that pyridinic N also is a significant component of the total N (similar to20-30%), with a subfraction consisting of its oxidized derivatives. An unidentified form of highly oxidized N was present, mainly in sediments. While amide N represents residues of original; biochemical molecules, pyridinic N probably is generated abiotically. Our results imply that the abiotic formation of pyridinic N sets in during the early stages of organic matter transformations thereby stabilizing organic N, although such processes generating heterocyclic structures may continue much longer. C1 Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. RP Vairavamurthy, A (reprint author), Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. NR 43 TC 91 Z9 93 U1 3 U2 42 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 JUL 15 PY 2002 VL 36 IS 14 BP 3050 EP 3056 DI 10.1021/es0155478 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 573WR UT WOS:000176855600002 PM 12141481 ER PT J AU Rakovan, J Reeder, RJ Elzinga, EJ Cherniak, DJ Tait, CD Morris, DE AF Rakovan, J Reeder, RJ Elzinga, EJ Cherniak, DJ Tait, CD Morris, DE TI Structural characterization of U(VI) in apatite by X-ray absorption spectroscopy SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID NUCLEAR-WASTE FORMS; URANIUM; ACTINIDES; IMMOBILIZATION; HYDROXYAPATITE; FLUOROAPATITE; SEDIMENTS; PU AB X-ray absorption spectroscopy was used to determine the local structure of U(VI) within synthetic fluorapatite at a concentration of 2.3 wt %. Extended X-ray absorption fine structure indicates that U(VI) substitutes into the Ca1 site. To accommodate this substitution the apatite structure significantly distorts such that the Ca1 site approximates octahedral coordination, with six uniform U-O distances of 2.06 Angstrom. An X-ray adsorption edge structure, with two inflection points, and optical emission spectra are consistent with 6d orbital crystal field splitting. These results indicate that significant amounts of U(VI) can be accommodated in the apatite structure but with an unexpected coordination, which may bear on the ultimate development of apatite-hosted nuclear-waste forms. C1 Miami Univ, Dept Geol, Oxford, OH 45056 USA. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. Rensselaer Polytech Inst, Dept Earth & Environm Sci, Troy, NY 12180 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Glenn T Seaborg Inst Transactinium Sci, Los Alamos, NM 87545 USA. RP Rakovan, J (reprint author), Miami Univ, Dept Geol, Oxford, OH 45056 USA. RI Morris, David/A-8577-2012 NR 32 TC 49 Z9 51 U1 4 U2 32 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 JUL 15 PY 2002 VL 36 IS 14 BP 3114 EP 3117 DI 10.1021/es015874f PG 4 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 573WR UT WOS:000176855600013 PM 12141492 ER PT J AU Luxmoore, RJ Hargrove, WW Tharp, ML Mac Post, W Berry, MW Minser, KS Cropper, WP Johnson, DW Zeide, B Amateis, RL Burkhart, HE Baldwin, VC Peterson, KD AF Luxmoore, RJ Hargrove, WW Tharp, ML Mac Post, W Berry, MW Minser, KS Cropper, WP Johnson, DW Zeide, B Amateis, RL Burkhart, HE Baldwin, VC Peterson, KD TI Addressing multi-use issues in sustainable forest management with signal-transfer modeling SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article DE environmental change; Monte Carlo simulation; multivariate clustering; site index; spatial and temporal scaling ID LOBLOLLY-PINE; GROWTH-MODEL; CARBON; UNCERTAINTY; FRAMEWORK; RESPONSES; SOIL AB Management decisions concerning impacts of projected changes in environmental and social conditions on multi-use forest products and services, such as productivity, water supply or carbon sequestration, may be facilitated with signal-transfer modeling. This simulation method utilizes a hierarchy of simulators in which the integrated responses (signals) from smaller-scale process models are transferred and incorporated into the algorithms of larger spatial- and temporal-scale models of ecological and economic phenomena. Several innovative procedures germane to multi-issue sustainable forest management have been initiated in our signal-transfer modeling development for forests of the southeastern United States. These developments include response surface interpolation for multi-factor signal-transfer, use of loblolly pine modeling to infer the growth of other southern pines, determination of soil nutrient limitations to productivity, multivariate clustering as a spatial basis for defining land units relevant to forest management, and variance propagation through the modeling hierarchy. Algorithms for larger scale phenomena are shown to constrain the variance introduced from a smaller-scale in a simulation of ambient ozone exposure effects on loblolly pine timber yield. Outputs of forest variables are frequency distributions that may be statistically compared for alternative environmental or management scenarios. Published by Elsevier Science B.V. C1 Oak Ridge Natl Lab, Harriman, TN 37748 USA. Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. Univ Miami, Ctr Marine & Atmospher Sci, Miami, FL 33149 USA. Univ Nevada, Reno, NV 89512 USA. Univ Arkansas, Sch Forestry, Fayetteville, AR 72701 USA. Virginia Tech, Dept Forestry, Blacksburg, VA 24061 USA. USDA Forest Serv, So Res Stn, Asheville, NC 28802 USA. USDA Forest Serv, So Res Stn, Pineville, LA 71360 USA. RP Luxmoore, RJ (reprint author), Oak Ridge Natl Lab, 295 Solomon Hollow Rd, Harriman, TN 37748 USA. RI Cropper, Jr., Wendell/E-5952-2010; Post, Wilfred/B-8959-2012; OI Cropper, Jr., Wendell/0000-0001-7851-7382; Berry, Michael/0000-0002-9191-9148 NR 32 TC 5 Z9 5 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1127 J9 FOREST ECOL MANAG JI For. Ecol. Manage. PD JUL 15 PY 2002 VL 165 IS 1-3 BP 295 EP 304 AR PII S0378-1127(01)00631-4 DI 10.1016/S0378-1127(01)00631-4 PG 10 WC Forestry SC Forestry GA 569UF UT WOS:000176620100026 ER PT J AU Ruggiero, CE Matonic, JH Reilly, SD Neu, MP AF Ruggiero, CE Matonic, JH Reilly, SD Neu, MP TI Dissolution of plutonium(IV) hydroxide by desferrioxamine siderophores and simple organic chelators SO INORGANIC CHEMISTRY LA English DT Article ID LIGAND-PROMOTED DISSOLUTION; HYDROXAMATE SIDEROPHORES; SOLUBILITY; GOETHITE; COMPLEXES; MINERALS; OXIDES; ACIDS; RATES; IRON AB Plutonium is thought to exist mostly as low soluble plutonium(IV) species in the environment and, therefore, has low potential of becoming mobile. Due to their prevalence and high solution stability constants for Pu(IV), microbial siderophores could significantly affect plutonium solubility and mobility. In this study, the ability of trihydroxamate desferrioxamine siderophores to solubilize Pu(IV) solids was investigated. Both desferrioxamine B and E (DFB and DFE) are far less effective at solubilizing amorphous Pu(IV) hydroxide in neutral solution than are simple chelators, such as EDTA, citrate, and tiron, despite the fact that these chelators have smaller solution stability constants for Pu(IV) than do DFE and DFB. Positively charged, linear DFB is less effective than the neutral cyclic DFE. Hydroxamate siderophores may, in fact, passivate Pu(IV) hydroxide surfaces, thereby inhibiting solubilization by other chelators. PuO2 solubilization under these conditions is far slower than that of Pu(IV) hydroxide. C1 Los Alamos Natl Lab, CSIC, Div Chem, Los Alamos, NM 87545 USA. RP Neu, MP (reprint author), Los Alamos Natl Lab, CSIC, Div Chem, POB 1663, Los Alamos, NM 87545 USA. OI Matonic, John/0000-0002-6059-1514 NR 22 TC 27 Z9 27 U1 2 U2 20 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 JUL 15 PY 2002 VL 41 IS 14 BP 3593 EP 3595 DI 10.1021/ic015591o PG 3 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 573HT UT WOS:000176824100003 PM 12099858 ER PT J AU Zhou, Z Alton, GD Beene, JR Dodonov, A Liang, JF Liu, Y Weidenmuller, M Wollnik, H AF Zhou, Z Alton, GD Beene, JR Dodonov, A Liang, JF Liu, Y Weidenmuller, M Wollnik, H TI Cooling beams of negative ions SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE beam cooling; negative ions; cooler quadrupole; buffer gas ID MASS AB Negatively charged atomic ions have been cooled in gas-filled rf-quadrupoles from injection energies between 10 and 150 eV to final energies below 0.5 eV. By choosing the atoms or molecules of the buffer gas to have low masses as compared to the masses of the ions to be cooled, the energy transfer in ion-atom or ion-molecule collisions is minimized. For small enough initial ion energies thus only a small percentage of the ions is neutralized in the collision processes. For Cl- and I- ions cooled in a He buffer gas we have achieved absolute transmission efficiencies of more than 50%. (Int J Mass Spectrom 218 (2002) 199-205) Published by Elsevier Science B.V. C1 Univ Giessen, D-35392 Giessen, Germany. Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RAS, Inst Chem Phys, Chernogolovka, Russia. RP Univ Giessen, D-35392 Giessen, Germany. EM h.wollnik@uni-giessen.de NR 11 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 EI 1873-2798 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD JUL 15 PY 2002 VL 218 IS 3 BP 199 EP 205 AR PII S1387-3806(02)00711-X DI 10.1016/S1387-3806(02)00711-X PG 7 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 584QP UT WOS:000177479400001 ER PT J AU Ognibene, TJ Bench, G Brown, TA Peaslee, GF Vogel, JS AF Ognibene, TJ Bench, G Brown, TA Peaslee, GF Vogel, JS TI A new accelerator mass spectrometry system for C-14-quantification of biochemical samples SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE accelerator mass spectrometry; biochemical C-14 quantification; charged-particle beams; molecular ion dissociation; charge-exchange ID C-14 MEASUREMENTS; AMS AB A compact accelerator mass spectrometry (AMS) system that meets our requirements for C-14-quantification of biochemical samples is described. The spectrometer occupies approximately 5 m(2) of floor space and can measure >300 samples per day with 3% precision. A long diffuse gas cell is used to destroy interfering molecules and to charge exchange injected negative ions. System sensitivity is <1 amol C-14/mg carbon on milligram-sized samples with a dynamic range that extends over 4 orders magnitude. All components, with the exception of the ion source, are commercially available and the system operates reliably with low maintenance. (Int J Mass Spectrom 218 (2002) 255-264) (C) 2002 Elsevier Science B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. Hope Coll, Dept Chem, Holland, MI 49423 USA. RP Ognibene, TJ (reprint author), Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, L-397,POB 808,7000 E Ave, Livermore, CA 94550 USA. NR 22 TC 34 Z9 34 U1 2 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD JUL 15 PY 2002 VL 218 IS 3 BP 255 EP 264 AR PII S1387-3806(02)00734-0 DI 10.1016/S1387-3806(02)00734-0 PG 10 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 584QP UT WOS:000177479400007 ER PT J AU Belov, ME Anderson, GA Smith, RD AF Belov, ME Anderson, GA Smith, RD TI Higher-resolution data-dependent selective external ion accumulation for capillary LC-FTICR SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article ID RESONANCE MASS-SPECTROMETRY; CYCLOTRON RESONANCE; ELECTROSPRAY-IONIZATION; LIQUID-CHROMATOGRAPHY; QUANTITATIVE-ANALYSIS; AFFINITY TAGS; TRAP; PROTEINS; PROTEOMICS; INTERFACE AB Data-dependent selective external ion ejection with improved resolution is demonstrated with a 3.5 T Fourier transform ion cyclotron resonance (FTICR) instrument employing dynamic range enhancement applied to mass spectrometry (DREAMS) technology. To correct for the fringing rf-field aberrations each rod of the selection quadrupole has been segmented into three sections, so that ion excitation and ejection was performed by applying auxiliary rf-only waveforms in the region of the middle segments. Two different modes of external ion trapping and ejection were studied with the mixtures of model peptides and a tryptic digest of bovine serum albumin (BSA). A mass resolution of about 100 has been attained for rf-only dipolar ejection in a quadrupole operating at a Mathieu parameter (q) of similar to0.45. LC-ESI-DREAMS-FTICR analysis of a 0.1 mg/mL solution of BSA digest resulted in detection of 82 unique tryptic peptides with mass measurement errors lower than 5 ppm, providing 100% sequence coverage of the protein. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MS K8-98, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 NR 49 TC 11 Z9 11 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD JUL 15 PY 2002 VL 218 IS 3 BP 265 EP 279 AR PII S1387-3806(02)00736-4 DI 10.1016/S1387-3806(02)00736-4 PG 15 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 584QP UT WOS:000177479400008 ER PT J AU Woodworth, JR Miller, PA Shul, RJ Abraham, IC Aragon, BP Hamilton, TW Willison, CG AF Woodworth, JR Miller, PA Shul, RJ Abraham, IC Aragon, BP Hamilton, TW Willison, CG TI Ions in holes: An experimental study of ion distributions inside surface features on radio-frequency-biased wafers in plasma etching discharges SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INDUCTIVELY-COUPLED PLASMA; ENERGY-DISTRIBUTION FUNCTIONS; RADIOFREQUENCY DISCHARGES; ANGULAR-DISTRIBUTIONS; REFERENCE CELL; RF DISCHARGE; ARGON; MODEL; CHLORINE; SHEATHS AB We present an experimental study of ion fluxes, energy distributions, and angular distributions inside surface features on radio frequency-biased wafers in high-density, inductively driven discharges in argon. Specifically, we present data on ion distributions at the bottom of 100-mum-square, 400-mum-deep "holes" in the wafer. Transmission of ions to the bottom of the holes increases with increasing ion energy and decreases as the sheath size becomes comparable to the hole size. Ion energy distributions at the bottom of the holes are narrower than distributions on the flat wafer surface. The flux of ions remains normal to the wafer surface over most of the hole area but the flux of ions within 6 mum of the wall is angled towards the wall. The observed trends are consistent with effects expected due to bowing of the plasma sheath around the surface features on the wafer. Scattering of ions off sidewalls contributes at most, only a small part of the ion flux reaching the bottom of the hole. (C) 2002 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. L&M Technol, Albuquerque, NM 87109 USA. RP Woodworth, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 44 TC 4 Z9 4 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2002 VL 92 IS 2 BP 716 EP 723 DI 10.1063/1.1486054 PG 8 WC Physics, Applied SC Physics GA 569JV UT WOS:000176600000010 ER PT J AU Chapman, BD Han, SW Seidler, GT Stern, EA Cohen, JD Guha, S Yang, J AF Chapman, BD Han, SW Seidler, GT Stern, EA Cohen, JD Guha, S Yang, J TI Short-range compositional randomness of hydrogenated amorphous silicon-germanium films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ABSORPTION FINE-STRUCTURE; BOND-LENGTH RELAXATION; SIGE-H ALLOYS; OPTICAL-PROPERTIES; PHASE-SEPARATION; SI1-XGEX ALLOYS; GEXSI1-X ALLOYS; CRYSTALLINE; DILUTION; GE AB The optical absorption spectrum of hydrogenated amorphous silicon-germanium (a-Si1-xGex:H) films can be tuned by the Ge content. As a result, there is considerable interest in applications of this photovoltaic alloy in solar cells. However, some aspects of the relationship between microstructure and optoelectronic properties are not yet fully understood. We report here a study of the local Ge environment in a-Si1-xGex:H films having demonstrated high photovoltaic efficiency. We present Ge K-edge extended x-ray absorption fine structure (EXAFS) measurements for samples with Ge content ranging from x=0.10 to 0.45. A structural analysis of the EXAFS reveals compositional randomness in the local Ge environment for x<0.4, indicating short-range random miscibility of Ge and Si in the alloying process. This is consistent with measurements of earlier generations of Si-rich a-Si1-xGex:H films, and suggests that one must look beyond the first coordination shell to understand the relationship between microstructure and optoelectronic properties. We also find no compositional dependence in the Ge environment nearest-neighbor bond lengths, indicating that there is little topological rigidity in the amorphous phase. Together, these results exclude any substantial Ge nanocrystallization or segregation into regions of concentrated Ge hydrides, but do not prohibit more complicated compositional inhomogeneity caused by partial phase separation on longer length scales. (C) 2002 American Institute of Physics. C1 Univ Washington, Dept Phys, Seattle, WA 98195 USA. Argonne Natl Lab, Adv Photon Source, PNC CAT Sector 20, Argonne, IL 60439 USA. Univ Oregon, Dept Phys, Eugene, OR 97403 USA. United Solar Syst Corp, Troy, MI 48084 USA. RP Seidler, GT (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. RI Seidler, Gerald/I-6974-2012 NR 51 TC 14 Z9 14 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2002 VL 92 IS 2 BP 801 EP 807 DI 10.1063/1.1486037 PG 7 WC Physics, Applied SC Physics GA 569JV UT WOS:000176600000021 ER PT J AU Brown, GW Grube, H Hawley, ME Schofield, SR Curson, NJ Simmons, MY Clark, RG AF Brown, GW Grube, H Hawley, ME Schofield, SR Curson, NJ Simmons, MY Clark, RG TI Imaging charged defects on clean Si(100)-(2x1) with scanning tunneling microscopy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELECTRONIC-STRUCTURE; SI(001); VACANCY; STM AB Scanning tunneling microscopy (STM) has been used to image charged defects on the clean Si(100)-(2x1) surface. Previous studies have shown that, in the absence of "C"-type defects, the surface does not pin the Fermi level, allowing near surface charge to influence the state density contributing to the tunneling current. As in the case of cleavage faces of III-V semiconductor crystals, the charge-induced band bending produces long-range enhancements superimposed on the periodic surface lattice. This is observed in empty-state STM images taken on n-type material. No band bending signature is seen in the filled-state images. This can be understood by considering the band structure at the surface, which has surface states within the band gap. The charged defects observed in this work are of the types commonly observed in clean Si(100)-(2x1) STM studies, however, not all defects of a given type appear charged. This would indicate subtle differences in structure or the influence of impurities. Predictions for p-type material will also be made. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Univ New S Wales, Sch Phys, Ctr Quantum Comp Technol, Sydney, NSW 2052, Australia. RP Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM geoffb@lanl.gov RI Simmons, Michelle/B-2755-2010 OI Simmons, Michelle/0000-0002-6422-5888 NR 10 TC 32 Z9 32 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2002 VL 92 IS 2 BP 820 EP 824 DI 10.1063/1.1486047 PG 5 WC Physics, Applied SC Physics GA 569JV UT WOS:000176600000024 ER PT J AU Malac, M Schoefield, M Zhu, YM Egerton, R AF Malac, M Schoefield, M Zhu, YM Egerton, R TI Exposure characteristics of cobalt fluoride (CoF2) self-developing electron-beam resist on sub-100 nm scale SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DESORPTION; SURFACES; GROWTH; ENERGY; PROBES AB We have studied electron-beam exposure of cobalt fluoride (CoF2) thin films by real-time high-resolution transmission electron microscopy and by electron energy-loss spectroscopy. We were able to remove fluorine completely from an irradiated area and retain metallic cobalt by exposing the area at low dose rate and elevated temperature. The structures were composed of separated single-crystal cobalt nanoparticles with dimensions on the order of 5-10 nm. (C) 2002 American Institute of Physics. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Alberta, Dept Phys, Edmonton, AB T6G 2J1, Canada. RP Malac, M (reprint author), Brookhaven Natl Lab, Bldg 480, Upton, NY 11973 USA. NR 34 TC 10 Z9 10 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 JUL 15 PY 2002 VL 92 IS 2 BP 1112 EP 1121 DI 10.1063/1.1487914 PG 10 WC Physics, Applied SC Physics GA 569JV UT WOS:000176600000071 ER PT J AU Pratt, ST AF Pratt, ST TI Photoionization dynamics of the B E-1 '' state of ammonia SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DOUBLE-RESONANCE SPECTROSCOPY; HIGHER EXCITED-STATES; HIGH RYDBERG STATES; DEPENDENT VIBRATIONAL AUTOIONIZATION; PHOTOELECTRON-SPECTROSCOPY; MULTIPHOTON IONIZATION; HIGH-RESOLUTION; FLUORESCENCE EXCITATION; ROVIBRONIC INTERACTIONS; POLYATOMIC-MOLECULES AB Two-photon excitation was used to excite a number of vibronic bands within the B E-1(') state of ammonia, including a number of combination bands involving the umbrella mode, nu(2), and the asymmetric bend, nu(4). Photoelectron spectra following single-photon ionization of these levels by the same laser provide insight into the character of the intermediate levels, and resolve questions raised by previous photoelectron studies via the B E-1(') state. Two-color double-resonance spectra were also recorded via selected rotational levels of the B E-1(') 2(3)4(1) state. These spectra show complex series of resonances that appear to converge to the X (2)A(2)(') 2(3)4(1) state of the ion. Photoelectron spectra for a large number of these resonances show that Deltav(2)=-1 and Deltav(4)=-1 processes dominate, but that the branching between the two processes depends strongly on the specific resonance. (C) 2002 American Institute of Physics. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 59 TC 8 Z9 8 U1 0 U2 3 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 JUL 15 PY 2002 VL 117 IS 3 BP 1055 EP 1067 DI 10.1063/1.1484383 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569KA UT WOS:000176600500012 ER PT J AU Burnham, CJ Xantheas, SS Miller, MA Applegate, BE Miller, RE AF Burnham, CJ Xantheas, SS Miller, MA Applegate, BE Miller, RE TI The formation of cyclic water complexes by sequential ring insertion: Experiment and theory SO JOURNAL OF CHEMICAL PHYSICS LA English DT Review ID INFRARED PREDISSOCIATION SPECTRA; ROTATION TUNNELING SPECTROSCOPY; TERAHERTZ LASER SPECTROSCOPY; HYDROGEN-BONDING NETWORK; POTENTIAL-ENERGY SURFACE; EXTENSIVE AB-INITIO; MANY-MODE SYSTEMS; VIBRATIONAL SPECTROSCOPY; ABSORPTION-SPECTROSCOPY; MOLECULAR-INTERACTIONS AB The growth of water clusters in liquid helium droplets results in the formation of cyclic structures up to and including the hexamer. In view of the sequential nature of the molecular pick-up process, the formation of water rings involves the insertion of water monomers into preformed cyclic water clusters. The implication of this observation is that the barriers to the ring insertion process are low enough to be overcome during the experiment. This paper presents a combined experimental and theoretical effort to explore the insertion process in detail. Our results provide important new insights into the dynamics of hydrogen-bonded networks. We map out the cluster potential energy surfaces and visualize them using disconnectivity graphs. Nonequilibrium walks on these surfaces show that ring water clusters can be formed during sequential addition of water molecules by surmounting small barriers that are thermally accessible even at the low temperature of the experiment. We find that the effects of zero-point energy are significant in making these processes feasible.(C) 2002 American Institute of Physics. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. RP Burnham, CJ (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RI Miller, Mark/I-3936-2012; Xantheas, Sotiris/L-1239-2015; OI Miller, Mark/0000-0002-1403-3343; Xantheas, Sotiris/0000-0002-6303-1037 NR 98 TC 113 Z9 113 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 JUL 15 PY 2002 VL 117 IS 3 BP 1109 EP 1122 DI 10.1063/1.1483259 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569KA UT WOS:000176600500018 ER PT J AU Holian, BL AF Holian, BL TI Simulations of vibrational relaxation in dense molecular fluids. II. Generalized treatment of thermal equilibration between a sample and a reservoir SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SHEAR VISCOSITY; DYNAMICS; FLOW AB The general problem of adiabatic relaxation, or thermal equilibration between a sample and a reservoir initially at two different temperatures, is presented. By thermostatting both the sample and reservoir, a nonequilibrium steady state can be set up to measure this relaxation rate. An accurate treatment of the coupling between sample and reservoir in the steady-state case leads to substantially improved agreement with vibrational relaxation rates obtained from adiabatic equilibration. We show that for large signal to noise ratio, the nonequilibrium simulation can be considerably more accurate than the direct equilibration measurement. We demonstrate two other examples of transport phenomena obtained from thermostatted sample-reservoir driving, namely, thermal conduction and shear flow in a fluid. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Holian, BL (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. NR 18 TC 11 Z9 11 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 15 PY 2002 VL 117 IS 3 BP 1173 EP 1180 DI 10.1063/1.1483861 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569KA UT WOS:000176600500024 ER PT J AU Dupuis, M Aida, M Kawashima, Y Hirao, K AF Dupuis, M Aida, M Kawashima, Y Hirao, K TI A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde ((1)A(2)) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 1ST-PRINCIPLES MOLECULAR-DYNAMICS; DENSITY-FUNCTIONAL THEORY; REACTION FIELD-THEORY; 3 WATER-MOLECULES; LIQUID WATER; COMBINED QUANTUM; CONTINUUM MODEL; NONEQUILIBRIUM SOLVATION; EXPLICIT CONSIDERATION; MECHANICAL POTENTIALS AB We describe an efficient implementation of a polarizable mixed Hamiltonian model of electronic structure that combines Hartree-Fock, Kohn-Sham, or multiconfiguration quantum-chemical wave functions with a polarizable and flexible molecular mechanics potential of water, and that is applicable to micro-solvated electronic excited states. We adopt a direct algorithm for the calculation of the polarization response of the solvent subsystem. The strategy facilitates the calculation of the energy of the system and of the forces with respect to the solute coordinates and the solvent coordinates, including for excited states. This capability opens the way to the determination of optimized, transition structures, force constants, and intrinsic reaction pathways for the solute-solvent system, and to molecular dynamics calculations to account for finite temperature effects. As an illustration we characterize the structure and energy of micro-solvated formaldehyde H2CO in its ground state and in its (1)(pi*<--n) excited state. A novel perpendicular structure is found to be the lowest energy conformation of the H2CO1(pi*<--n):H2O complex. The all-quantum-chemical results and the mixed Hamiltonian results, with or without solvent polarizability, are in semiquantitative agreement. We comment on the choice of Lennard-Jones parameters associated with a solute excited state. Lennard-Jones parameters that yield good ground state structures and energies with the mixed Hamiltonian model, are found to be too soft for the micro-solvated excited state H2CO in the adiabatic (equilibrium micro-solvation) regime. (C) 2002 American Institute of Physics. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Univ Tokyo, Grad Sch Engn, Dept Appl Chem, Tokyo 113, Japan. Hiroshima Univ, Dept Chem, Higashihiroshima 7398526, Japan. RP Dupuis, M (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. EM michel.dupuis@pnl.gov RI Aida, Misako/D-1670-2010; Hirao, Kimihiko/N-5483-2015; Kawashima, Yukio/B-7432-2014 OI Aida, Misako/0000-0001-8788-1071; Kawashima, Yukio/0000-0001-5918-1211 NR 70 TC 34 Z9 36 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 15 PY 2002 VL 117 IS 3 BP 1242 EP 1255 DI 10.1063/1.1483858 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569KA UT WOS:000176600500032 ER PT J AU Dupuis, M Kawashima, Y Hirao, K AF Dupuis, M Kawashima, Y Hirao, K TI A polarizable mixed Hamiltonian model of electronic structure for solvated excited states. II. Application to the blue shift of the H2CO (1)(pi(*)<- n) excitation in water SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID LIQUID WATER; FORCE-FIELD; MOLECULAR-DYNAMICS; ORGANIC-MOLECULES; BASIS SETS; FORMALDEHYDE; QUANTUM; SPECTROSCOPY; POTENTIALS; TRANSITION AB We illustrate an application of a polarizable mixed Hamiltonian model of solvation developed in the companion Paper I [J. Chem. Phys. 117, 1242 (2002)] and describe the structure of electronically excited formaldehyde in water. We used Hartree-Fock and multiconfiguration wave functions together with the tip3p, pol1, and pol2 interaction potentials combined with the Bartlett-Shavitt vibrational potential for water. We calculated the structure of H2CO ((1)A(1), (3)A(2), and (1)A(2)) micro-solvated with 1 or 2 water molecules and we mimicked the aqueous environment with up to 81 waters with equilibrium solute-solvent configurations. We calculated the vertical and adiabatic excitations energies. The vertical absorption energy shows a blue shift between similar to1000 and similar to2500 cm(-1) due to solvation, that is in fact already present in the micro-solvated systems and increases with the degree of solvation. The dipole moments of the ground and excited states show a marked increase with the degree of solvation. The polarizable character of the pol1 and pol2 water potentials has only a minor effect on the magnitude of the shift, even on the vertical excitation shift, with a reduction of similar to100 cm(-1) in blue shift. The polarizable mixed model gives a satisfactory description of the formaldehyde-water hydrogen-bond structure and of the energetics. Those are very similar to the all-quantum chemical description when considering ground-state H2CO. For the excited states ((3)A(2) and (1)A(2)) the H2CO---HOH distance in H2CO:1w is calculated to be similar to0.10 Angstrom shorter with the polarizable mixed model than with the all-quantum chemical model, albeit the calculated hydrogen bond energies are in accord with the all-quantum chemical results and smaller than for the ground state. This finding suggests that, at least in the equilibrium solvation regime, the sigma and epsilon Lennard-Jones parameters for the excited states of H2CO should have larger values than those used for the ground state, in accord with simple arguments based on the increased size and polarizability of the molecular excited state. (C) 2002 American Institute of Physics. C1 Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Univ Tokyo, Grad Sch Engn, Dept Appl Chem, Tokyo 113, Japan. RP Dupuis, M (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RI Hirao, Kimihiko/N-5483-2015; Kawashima, Yukio/B-7432-2014 OI Kawashima, Yukio/0000-0001-5918-1211 NR 48 TC 25 Z9 26 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 15 PY 2002 VL 117 IS 3 BP 1256 EP 1268 DI 10.1063/1.1483859 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569KA UT WOS:000176600500033 ER PT J AU Volpe, AM Esser, BK AF Volpe, AM Esser, BK TI Real-time ocean chemistry for improved biogeochemical observation in dynamic coastal environments SO JOURNAL OF MARINE SYSTEMS LA English DT Article DE ocean science; mass spectrometry; trace elements; micronutrients; productivity; regional index; northeast Pacific; Baja California; San Diego Bay ID SAN-DIEGO BAY; SOUTHERN CALIFORNIA BIGHT; COPPER COMPLEXATION; FLOW-INJECTION; TRACE-METALS; SEA-WATER; NORTHEAST PACIFIC; EXPORT PRODUCTION; FRANCISCO BAY; MARINE WATERS AB We describe a new ocean observation system that integrates mass spectroscopy, hydrographic instrumentation, and satellite imagery (SeaWIFS). We used a quadrupole ICP mass spectrometer at sea to acquire continuous trace element data during separate surveys of the Baja California coastal margin, and the San Diego Bay and coastal environment. There is evidence for extreme Ba depletion in surface waters off the Baja coast, which is the result of biological productivity and marine barite precipitation. The synoptic data are used to elucidate the biochemical mechanism of barium removal; to constrain the spatial and temporal boundaries over which the phenomenon occurs; and to quantify surface flux to sediments. Further systems application led to mapping of the distribution of a suite of biologically active trace metals (Mn, Ni, Zn, Cu, and Cd) in San Diego Bay, and the Bay signature was tracked in tidal plumes into the coastal ocean. The continuous data provided chemical gradients within the Bay, with which we estimate the contaminant metal flux that is discharged from the Bay into the coastal ocean during tidal pumping. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Volpe, AM (reprint author), Lawrence Livermore Natl Lab, POB 808,L-016, Livermore, CA 94550 USA. RI Esser, Bradley/G-4283-2010 OI Esser, Bradley/0000-0002-3219-4298 NR 72 TC 10 Z9 11 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-7963 J9 J MARINE SYST JI J. Mar. Syst. PD JUL 15 PY 2002 VL 36 IS 1-2 BP 51 EP 74 AR PII S0924-7963(02)00125-2 DI 10.1016/S0924-7963(02)00125-2 PG 24 WC Geosciences, Multidisciplinary; Marine & Freshwater Biology; Oceanography SC Geology; Marine & Freshwater Biology; Oceanography GA 576FJ UT WOS:000176991900004 ER PT J AU Ho, NN Bau, R Plecnik, C Shore, SG Wang, XP Schultz, AJ AF Ho, NN Bau, R Plecnik, C Shore, SG Wang, XP Schultz, AJ TI A neutron diffraction study of Cp2Ti{mu-H)(2)BC8H14} SO JOURNAL OF ORGANOMETALLIC CHEMISTRY LA English DT Article DE neutron diffraction; titanium; borohydride; metal hydride; M-H-B bridge bond ID PROMOTED HYDROBORATIONS; CRYSTAL-STRUCTURES; METAL-COMPLEXES; TITANIUM; BOROHYDRIDE; HYDROGEN; ALKENES; C5H10; C8H14; C4H8 AB The structure of Cp2Ti{(mu-H)(2)BC8H14} has been determined by single-crystal neutron diffraction methods. The geometrical parameters of the central four-atom core, Ti(mu-H)(2)B, are: Ti-H = 1.904(15), 1.933(17) Angstrom; B-H = 1.298(15), 1.333(13) Angstrom; Ti-H-B = 94.1(8)degrees, 96.7(9)degrees; H-Ti-H = 65.3(6)degrees, H-B-H = 103.8(9)degrees; Ti...B = 2.426(12) Angstrom; H...H = 2.071(19) Angstrom. The final weighted agreement factor is R-w = 8.7% for 2635 unique reflections collected at 20 K from a crystal of volume 0.8 mm(3) at the Argonne Intense Pulsed Neutron Source (IPNS). This structure determination represents the first neutron diffraction analysis of a Ti-H bonding distance in a molecule, as well as the first neutron analysis of a Ti-H-B bridge bond. (C) 2002 Published by Elsevier Science B.V. C1 Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Bau, R (reprint author), Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA. EM bau@usc.edu RI Wang, Xiaoping/E-8050-2012 OI Wang, Xiaoping/0000-0001-7143-8112 NR 33 TC 14 Z9 14 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-328X J9 J ORGANOMET CHEM JI J. Organomet. Chem. PD JUL 15 PY 2002 VL 654 IS 1-2 BP 216 EP 220 AR PII S0022-328X(02)01318-9 DI 10.1016/S0022-328X(02)01318-9 PG 5 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 567FG UT WOS:000176474300029 ER PT J AU Souliotis, GA Loveland, W Hanold, K Wozniak, GJ Morrissey, DJ AF Souliotis, GA Loveland, W Hanold, K Wozniak, GJ Morrissey, DJ TI Heavy residue formation in 20 MeV/nucleon Au-197+Zr-90 collisions SO NUCLEAR PHYSICS A LA English DT Article DE nuclear reactions; incomplete fusion; deep inelastic scattering ID KR-INDUCED REACTIONS; DISSIPATIVE AU-197+KR-86 COLLISIONS; INTERMEDIATE ENERGIES; CHARGE-DISTRIBUTIONS; FRAGMENT PRODUCTION; KR+AU COLLISIONS; ION REACTIONS; MEV NUCLEON; MASS; EMISSION AB The yields and velocity distributions of heavy residues and fission fragments from the reaction of 20 MeV/nucleon Au-197 + Zr-90 have been measured using the MSU A1200 fragment separator. A bimodal distribution of residues is observed, with one group, resulting from peripheral collisions, having fragment mass numbers A = 160-200 while the other group, resulting from "hard" collisions, has A = 120-160. These "hard" collision residues can be distinguished from fission fragments by their velocities. A model combining deep-inelastic transfer and incomplete fusion for the primary interaction stage and a statistical evaporation code for the deexcitation stage has been used to describe the properties of the product distributions. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA. Univ Calif San Diego, Dept Chem, La Jolla, CA 92093 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. RP Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. EM soulioti@comp.tamu.edu NR 57 TC 5 Z9 5 U1 1 U2 1 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 JUL 15 PY 2002 VL 705 IS 3-4 BP 279 EP 296 AR PII S0375-9474(02)00673-5 DI 10.1016/S0375-9474(02)00673-5 PG 18 WC Physics, Nuclear SC Physics GA 575KC UT WOS:000176944600002 ER PT J AU Gutierrez, TD Vogt, R AF Gutierrez, TD Vogt, R TI Asymmetries between strange and antistrange particle production in pion-proton interactions SO NUCLEAR PHYSICS A LA English DT Article ID DYNAMICAL PARTON DISTRIBUTIONS; YAN CROSS-SECTION; INTRINSIC CHARM; NUCLEUS INTERACTIONS; HADRONIC SCATTERING; POWER CORRECTIONS; P-INTERACTIONS; LEADING CHARM; GEV/C PI; COLLISIONS AB Recent measurements of the asymmetries between Feynman x distributions of strange and antistrange hadrons in pi(-)A interactions show a strong effect as a function of x(F). We Calculate strange hadron production in the context of the intrinsic model and make predictions for particle/antiparticle asymmetries in these interactions. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM vogt@lbl.gov OI Gutierrez, Thomas/0000-0002-0330-6414 NR 45 TC 2 Z9 2 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 JUL 15 PY 2002 VL 705 IS 3-4 BP 396 EP 432 AR PII S0375-9474(02)00658-9 DI 10.1016/S0375-9474(02)00658-9 PG 37 WC Physics, Nuclear SC Physics GA 575KC UT WOS:000176944600007 ER PT J AU Schaffner-Bielich, J Kharzeev, D McLerran, L Venugopalan, R AF Schaffner-Bielich, J Kharzeev, D McLerran, L Venugopalan, R TI Generalized scaling of the transverse mass spectrum at the relativistic heavy-ion collider SO NUCLEAR PHYSICS A LA English DT Article ID PROTON-ANTIPROTON COLLISIONS; GLUON DISTRIBUTION-FUNCTIONS; NUCLEAR COLLISIONS; MOMENTUM SPECTRA; HIGH-ENERGIES; STATISTICAL THERMODYNAMICS; SQUARE-ROOT-S=1.8 TEV; SOFT POMERON; QCD; MULTIPLICITY AB We argue that the transverse mass spectra of identified hadrons as measured in gold-gold collisions at BNLs Relativistic Heavy-Ion Collider (RHIC) follows a generalized scaling law. Such a scaling behavior is motivated by the idea of a Color Glass Condensate, or more generally, saturation of the gluon density. In particular, we describe the shapes of transverse mass spectra as a function of centrality. This scaling of the transverse mass spectrum is shown to be consistent with previously observed scaling of multiplicity with centrality. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Columbia Univ, Dept Phys, New York, NY 10027 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. RP Schaffner-Bielich, J (reprint author), Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. EM schaffne@nt3.phys.columbia.edu NR 62 TC 66 Z9 66 U1 0 U2 2 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 JUL 15 PY 2002 VL 705 IS 3-4 BP 494 EP 507 AR PII S0375-9474(02)00677-2 DI 10.1016/S0375-9474(02)00677-2 PG 14 WC Physics, Nuclear SC Physics GA 575KC UT WOS:000176944600011 ER PT J AU Demsar, J Forro, L Berger, H Mihailovic, D AF Demsar, J Forro, L Berger, H Mihailovic, D TI Femtosecond snapshots of gap-forming charge-density-wave correlations in quasi-two-dimensional dichalcogenides 1T-TaS2 and 2H-TaSe2 SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; RELAXATION DYNAMICS; PHASE-TRANSITIONS; FERMI-SURFACE; PARTICLE; SUPERCONDUCTORS; YBA2CU3O7-DELTA; SPECTROSCOPY; TEMPERATURE; K0.3MOO3 AB Time-resolved optical spectroscopy of collective and single-particle excitations of 1T-TaS2 and 2H-TaSe2 reveals the presence of a large gap in the excitation spectrum on the femtosecond time scale, associated with the formation of various degrees of charge-density-wave order. In common with superconducting cuprates, excitations with energies less than the full gap show much slower relaxation. This separation of time scales cannot be explained in a quasi-two-dimensional Fermi-liquid picture with an anisotropic gap but rather suggests the formation of a fluctuating spatially inhomogeneous state eventually forming a long-range ordered state at low temperatures. C1 Jozef Stefan Inst, SI-1001 Ljubljana, Slovenia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ecole Polytech Fed Lausanne, Dept Phys, CH-1015 Lausanne, Switzerland. RP Demsar, J (reprint author), Jozef Stefan Inst, Jamova 39, SI-1001 Ljubljana, Slovenia. RI Demsar, Jure/B-5578-2008; Demsar, Jure/F-7243-2016 OI Demsar, Jure/0000-0003-4551-7444; NR 25 TC 62 Z9 62 U1 8 U2 34 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 041101 DI 10.1103/PhysRevB.66.041101 PG 4 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400001 ER PT J AU Hayashi, H Udagawa, Y Caliebe, WA Kao, CC AF Hayashi, H Udagawa, Y Caliebe, WA Kao, CC TI Hidden electronic state of CuO revealed by resonant inelastic x-ray scattering SO PHYSICAL REVIEW B LA English DT Article ID NEAR-EDGE STRUCTURE; ABSORPTION SPECTROSCOPY; PHOTOEMISSION; SPECTRA; VALENCE; ND2CUO4; CU2O AB High-resolution resonant inelastic x-ray scattering (RIXS) spectra from CuO in the 1s2p emission region were measured. A surprisingly complicated set of spectra was observed. Detailed analysis of these spectra reveals the existence of an excited state, which is hidden in the Cu-K x-ray absorption spectrum of CuO. Furthermore, the energy of this excited state corresponds well to a Cu 4p(z)-like state predicted by a real-space multiple-scattering technique, but has not been observed experimentally up to now. This result demonstrates the potential use of RIXS to complement x-ray absorption spectroscopy. C1 Tohoku Univ, IMRAM, Sendai, Miyagi 9808577, Japan. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Hayashi, H (reprint author), Tohoku Univ, IMRAM, Sendai, Miyagi 9808577, Japan. OI Hayashi, Hisashi/0000-0002-8504-4066 NR 15 TC 19 Z9 19 U1 0 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 033105 DI 10.1103/PhysRevB.66.033105 PG 4 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500005 ER PT J AU Kim, K Kent, PRC Zunger, A Geller, CB AF Kim, K Kent, PRC Zunger, A Geller, CB TI Atomistic description of the electronic structure of InxGa1-xAs alloys and InAs/GaAs superlattices SO PHYSICAL REVIEW B LA English DT Article ID SEMICONDUCTOR QUANTUM DOTS; DENSITY-OF-STATES; OPTICAL-PROPERTIES; BAND-GAP; WELL STRUCTURES; DEFORMATION POTENTIALS; PRESSURE COEFFICIENTS; CHEMICAL TRENDS; LAYER EPITAXY; II-VI AB We show how an empirical pseudopotential approach, fitted to bulk and interfacial reference systems, provides a unified description of the electronic structure of random alloys (bulk and epitaxial), superlattices, and related complex systems. We predict the composition and superlattice-period dependence of the band offsets and interband transitions of InAs/GaAs systems on InP and GaAs substrates. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Bettis Atom Power Lab, W Mifflin, PA 15122 USA. RP Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Kent, Paul/A-6756-2008; Zunger, Alex/A-6733-2013 OI Kent, Paul/0000-0001-5539-4017; NR 71 TC 44 Z9 46 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 045208 DI 10.1103/PhysRevB.66.045208 PG 15 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400049 ER PT J AU Li, JL Rignanese, GM Chang, EK Blase, X Louie, SG AF Li, JL Rignanese, GM Chang, EK Blase, X Louie, SG TI GW study of the metal-insulator transition of bcc hydrogen SO PHYSICAL REVIEW B LA English DT Article ID GROUND-STATE; SELF-ENERGY; APPROXIMATION; SEMICONDUCTORS AB We study the metal-insulator transition in a model Mott system, a bcc hydrogen solid, by performing ab initio quasiparticle band-structure calculations within the GW approximation for a wide range of lattice constants. The value of the critical electron density n(c) is consistent with Mott's original criterion. For smaller lattice constants, our spin-polarized GW results agree well with previous variational quantum Monte Carlo calculations. For large lattice constants, the computed quasiparticle band gap corresponds to the difference between the ionization energy and electron affinity of an isolated hydrogen atom. Near the metal-insulator transition, we investigate the quality of the quasiparticle wave functions obtained from different starting approximations in density-functional theory. Finally, we gain new insight into the GW method and its applicability to spin-polarized systems, for which several refinements are introduced. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Li, JL (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Rignanese, Gian-Marco/A-7435-2008 OI Rignanese, Gian-Marco/0000-0002-1422-1205 NR 20 TC 27 Z9 27 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 035102 DI 10.1103/PhysRevB.66.035102 PG 5 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500035 ER PT J AU Lovenich, R Lai, CW Hagele, D Chemla, DS Schafer, W AF Lovenich, R Lai, CW Hagele, D Chemla, DS Schafer, W TI Semiconductor polarization dynamics from the coherent to the incoherent regime: Theory and experiment SO PHYSICAL REVIEW B LA English DT Article ID GAAS QUANTUM-WELLS; FREE-INDUCTION DECAY; QUASI-2-DIMENSIONAL BIEXCITONS; 4-PARTICLE CORRELATIONS; ELECTRON-SCATTERING; COULOMB SCATTERING; KINETICS; DEPENDENCE; EXCITONS; RELAXATION AB We explore the capability of a many-particle approach to the polarization dynamics of optically excited semiconductors. The theory contains the well-established theories for the coherent low excitation and incoherent high excitation regimes as limiting cases. The approach shows excellent agreement with four-wave mixing experiments where an incoherent background of carriers is created by a cw beam allowing to investigate the full range between the limiting cases. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Lovenich, R (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Lai, Chih Wei/E-4945-2010 OI Lai, Chih Wei/0000-0003-3571-4671 NR 43 TC 13 Z9 13 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 045306 DI 10.1103/PhysRevB.66.0453XX PG 11 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400056 ER PT J AU Padilla, WJ Mandrus, D Basov, DN AF Padilla, WJ Mandrus, D Basov, DN TI Searching for the Slater transition in the pyrochlore Cd2Os2O7 with infrared spectroscopy SO PHYSICAL REVIEW B LA English DT Article ID METAL-INSULATOR-TRANSITION; DENSITY-WAVE GAP AB Infrared reflectance measurements were made on the single crystal pyrochlore Cd2Os2O7 in order to examine the transformations of the electronic structure and crystal lattice across the boundary of the metal-insulator transition (MIT) at T-MIT=226 K. All predicted IR active phonons are observed in the conductivity over all temperatures and the oscillator strength is found to be temperature independent. These results indicate that charge ordering plays only a minor role in the MIT and that the transition is strictly electronic in nature. The conductivity shows the clear opening of a gap with 2Delta=5.2k(B)T(MIT). The gap opens continuously, with a temperature dependence similar to that of Bardeen-Cooper-Schrieffer (BCS) superconductors, and the gap edge having a distinct sigma(omega)similar toomega(1/2) dependence. All of these observables support the suggestion of a Slater transition in Cd2Os2O7. C1 Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Padilla, WJ (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RI Mandrus, David/H-3090-2014; Padilla, Willie/A-7235-2008 OI Padilla, Willie/0000-0001-7734-8847 NR 27 TC 30 Z9 31 U1 1 U2 14 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 035120 DI 10.1103/PhysRevB.66.035120 PG 5 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500053 ER PT J AU Rashkeev, SN Di Ventra, M Pantelides, ST AF Rashkeev, SN Di Ventra, M Pantelides, ST TI Transport in molecular transistors: Symmetry effects and nonlinearities SO PHYSICAL REVIEW B LA English DT Article ID FIELD-EFFECT TRANSISTORS; CONDUCTANCE; RESISTANCE; JUNCTIONS; DEVICE AB We report first-principles calculations of the current-voltage and current-gate-field characteristics of model molecular transistors to explore the factors that control current amplification and other properties. We show that both the position and amplitude of resonant peaks are modified by the use of substituents that affect the symmetry and dipole moments of the molecules, and allow a linear versus nonlinear Stark effect. In addition, strong nonlinearities arise at large source-drain currents. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Virginia Polytech Inst & State Univ, Dept Phys, Blacksburg, VA 24061 USA. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RI Di Ventra, Massimiliano/E-1667-2011 OI Di Ventra, Massimiliano/0000-0001-9416-189X NR 22 TC 37 Z9 38 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 EI 1550-235X J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 033301 DI 10.1103/PhysRevB.66.033301 PG 3 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500015 ER PT J AU Schneider, HC Chow, WW Koch, SW AF Schneider, HC Chow, WW Koch, SW TI Anomalous carrier-induced dispersion in quantum-dot active media SO PHYSICAL REVIEW B LA English DT Article ID SEMICONDUCTOR-LASERS; THRESHOLD CURRENT; AUGER PROCESSES; WELL; RELAXATION; SPECTRA; GAIN AB The complex optical susceptibility in a quantum-dot active medium is investigated theoretically. It is found that the Coulomb coupling of the localized discrete states in a quantum dot to extended continuum states in the surrounding quantum well region strongly influence optical properties under high excitation conditions. As a result, the behavior of the carrier-induced refractive index change deltan differs significantly from that expected from the often used atomlike description, where the interaction between a quantum dot and the surrounding region involves only the transfer of electrons and holes. Furthermore, there is the possibility of increasing deltan with increasing carrier density under conditions where laser gain is present, which is a distinct departure from bulk and quantum well behavior. Therefore, quantum-dot lasers may not show beam filamentation tendency, which has been a long-standing problem in semiconductor lasers. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Marburg, Dept Phys, D-35032 Marburg, Germany. Univ Marburg, Ctr Mat Sci, D-35032 Marburg, Germany. RP Schneider, HC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RI Schneider, Hans Christian/B-9450-2009 OI Schneider, Hans Christian/0000-0001-7656-4919 NR 26 TC 27 Z9 27 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 041310 DI 10.1103/PhysRevB.66.041310 PG 4 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400017 ER PT J AU Seong, MJ Chun, SH Cheong, HM Samarth, N Mascarenhas, A AF Seong, MJ Chun, SH Cheong, HM Samarth, N Mascarenhas, A TI Spectroscopic determination of hole density in the ferromagnetic semiconductor Ga1-xMnxAs SO PHYSICAL REVIEW B LA English DT Article ID GAAS; (GA,MN)AS; SCATTERING; TRANSPORT; INP AB A measurement of the hole density in the ferromagnetic semiconductor Ga1-xMnxAs is notoriously difficult using standard transport techniques due to the dominance of the anomalous Hall effect. Here we report a spectroscopic measurement of the hole density in four Ga1-xMnxAs samples (x=0, 0.038, 0.061, and 0.083) at room temperature using a Raman-scattering intensity analysis of the coupled plasmon-LO-phonon mode and the unscreened LO phonon. The unscreened LO-phonon frequency linearly decreases as the Mn concentration increases up to 8.3%. The hole density determined from the Raman scattering shows a monotonic increase with increasing x for xless than or equal to0.083, exhibiting a direct correlation to the observed T-c. The optical technique reported here provides an unambiguous means of determining the hole density in this important class of "spintronic" semiconductor materials. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. Sogang Univ, Dept Phys, Seoul 121742, South Korea. RP Seong, MJ (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. RI Cheong, Hyeonsik/D-7424-2012; Samarth, Nitin/C-4475-2014 OI Cheong, Hyeonsik/0000-0002-2347-4044; Samarth, Nitin/0000-0003-2599-346X NR 18 TC 55 Z9 58 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 033202 DI 10.1103/PhysRevB.66.033202 PG 4 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500013 ER PT J AU Sorescu, DC Thompson, DL Hurley, MM Chabalowski, CF AF Sorescu, DC Thompson, DL Hurley, MM Chabalowski, CF TI First-principles calculations of the adsorption, diffusion, and dissociation of a CO molecule on the Fe(100) surface SO PHYSICAL REVIEW B LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; SULFUR MODIFIED FE(100); WAVE BASIS-SET; PLANE-WAVE; ULTRASOFT PSEUDOPOTENTIALS; ELECTRONIC-STRUCTURE; TRANSITION; METALS; DYNAMICS AB First-principles pseudopotential plane wave calculations based on spin-polarized density functional theory (DFT) and the generalized gradient approximation (GGA) have been used to study the adsorption of CO molecules on the Fe(100) surface. Among several possible adsorption configurations considered here, the most stable corresponds to a fourfold state in which a CO molecule is tilted relative to the surface normal by 50degrees. In this case, the CO bond is elongated to 1.32 Angstrom and has a low vibrational stretching frequency of 1246 cm(-1) to be compared with the experimental gas phase value of 2143 cm(-1). The adsorption energy for this state is found to vary between 46.7 and 43.8 kcal/mol depending on the choice of exchange-correlation functional used in the DFT. A total of three adsorption sites have been located, and the relative adsorption energies are E(fourfold)>E(twofold)approximate toE(onefold) at lower surface coverage, and E(fourfold)>E(onefold)>E(twofold) at higher coverage. A similar analysis performed for the C and O atoms indicates that the adsorption at the fourfold site is the most stable among various configurations, with adsorption energies of 186 and 145 kcal/mol, respectively. Additionally, we have demonstrated the possibility that a C atom embeds into the lattice in a twofold, bridgelike configuration with an adsorption energy of 154 kcal/mol. The minimum energy pathways for the surface diffusion of a CO molecule between selected pairs of local minima indicate that the barriers for these processes are generally quite small with values less than 2 kcal/mol. One exception to this is the diffusion out of the most stable fourfold site, where the barrier is predicted to be around 13 kcal/mol. Finally, the barriers for dissociation of CO bound in a fourfold site have been calculated to have values in the range of 24.5-28.2 kcal/mol, supporting the experimental observation that dissociation of CO bound to the surface seems to compete with CO desorption at 440 K. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. Oklahoma State Univ, Dept Chem, Stillwater, OK 74078 USA. USA, Res Lab, AMSRL CI HA, Aberdeen Proving Ground, MD 21005 USA. USA, Res Lab, AMSRL WM BD, Aberdeen Proving Ground, MD 21005 USA. RP US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. NR 48 TC 75 Z9 77 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 3 AR 035416 DI 10.1103/PhysRevB.66.035416 PG 13 WC Physics, Condensed Matter SC Physics GA 582FF UT WOS:000177338500112 ER PT J AU Weber, MH Lynn, KG Barbiellini, B Sterne, PA Denison, AB AF Weber, MH Lynn, KG Barbiellini, B Sterne, PA Denison, AB TI Direct observation of energy-gap scaling law in CdSe quantum dots with positrons SO PHYSICAL REVIEW B LA English DT Article ID GRADIENT-CORRECTION; EMBEDDED PARTICLES; ANNIHILATION; SOLIDS; SEMICONDUCTORS; IDENTIFICATION; NANOCRYSTALS; COMPLEXES; SURFACES; DENSITY AB CdSe quantum dot samples with sizes in the range of 1.8-similar to6 nm in diameter were examined by positron annihilation spectroscopy. The results were compared to data obtained for single-crystal bulk CdSe. Evidence is provided that the positrons annihilate within the nanospheres. The annihilation line shape shows a smearing at the boundary of the Jones zone proportional to the widening of the band gap due to a reduction in the size of the quantum dots. The data confirm that the change in the band gap is inversely proportional to the square of the quantum dot diameter. C1 Washington State Univ, Dept Phys, Pullman, WA 99164 USA. Washington State Univ, Mat Res Ctr, Pullman, WA 99164 USA. Northeastern Univ, Boston, MA 02115 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Bechtel BWXT Idaho LLC, Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. RP Weber, MH (reprint author), Washington State Univ, Dept Phys, Pullman, WA 99164 USA. RI Barbiellini, Bernardo/K-3619-2015 OI Barbiellini, Bernardo/0000-0002-3309-1362 NR 29 TC 28 Z9 28 U1 1 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 041305 DI 10.1103/PhysRevB.66.041305 PG 4 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400012 ER PT J AU Yao, YG Ebert, P Li, MZ Zhang, ZY Wang, EG AF Yao, YG Ebert, P Li, MZ Zhang, ZY Wang, EG TI Decay characteristics of two-dimensional islands on strongly anisotropic surfaces SO PHYSICAL REVIEW B LA English DT Article ID INTERLAYER MASS-TRANSPORT; ADATOM ISLANDS; DIFFUSION; MOUNDS; CU(111); AG(110); MOTION; AG AB We investigate analytically the decay characteristics of two-dimensional islands on strongly anisotropic surfaces. We show that a generic scaling law can always be established in describing the dynamical evolution of such islands, given by Lproportional to(t(0)-t)(beta), where L is the island width, and t(0) is the lifetime of the islands. The value of the scaling exponent beta in the fast-decay direction is always 1/2 in the low-temperature regime where the decay is quasi-one-directional, irrespective of the specific dominant decaying mechanism involved. At higher temperatures where the decay proceeds effectively in both directions, beta is again a good measure of the dominant microscopic decaying mechanism involved, just like the isotropic case. We discuss these results in connection with recent experiments. C1 Chinese Acad Sci, Int Ctr Quantum Struct, Beijing 100080, Peoples R China. Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China. Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Chinese Acad Sci, Int Ctr Quantum Struct, Beijing 100080, Peoples R China. RI Zhang, Jian-Min/A-7757-2012; Yao, Yugui/A-8411-2012 NR 19 TC 8 Z9 8 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 15 PY 2002 VL 66 IS 4 AR 041407 DI 10.1103/PhysRevB.66.041407 PG 4 WC Physics, Condensed Matter SC Physics GA 583UA UT WOS:000177426400024 ER PT J AU Abazajian, KN Fuller, GM AF Abazajian, KN Fuller, GM TI Bulk QCD thermodynamics and sterile neutrino dark matter SO PHYSICAL REVIEW D LA English DT Article ID HADRON PHASE-TRANSITION; EARLY UNIVERSE; PRIMORDIAL NUCLEOSYNTHESIS; DENSITY PROFILES; X-RAY; WARM; HALO; SUBSTRUCTURE; QUARK; CONSTRAINTS AB We point out that the relic densities of singlet (sterile) neutrinos of interest in viable warm and cold dark matter scenarios depend on the characteristics of the QCD transition in the early universe. In the most promising of these dark matter scenarios, the production of the singlets occurs at or near the QCD transition. Since production of the singlets, their dilution, and the disappearance of weak scatterers occur simultaneously, we calculate these processes contemporaneously to obtain accurate predictions of relic sterile neutrino mass density. Therefore, a determination of the mass and superweak mixing of the singlet neutrino through, for example, its radiative decay, along with a determination of its contribution to the critical density, can provide insight into the finite-temperature QCD transition. C1 Fermilab Natl Accelerator Lab, NASA, Fermilab Astrophys Grp, Batavia, IL 60510 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Abazajian, KN (reprint author), Fermilab Natl Accelerator Lab, NASA, Fermilab Astrophys Grp, Box 500, Batavia, IL 60510 USA. NR 46 TC 60 Z9 60 U1 0 U2 1 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2821 J9 PHYS REV D JI Phys. Rev. D PD JUL 15 PY 2002 VL 66 IS 2 AR 023526 DI 10.1103/PhysRevD.66.023526 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 581HJ UT WOS:000177285600036 ER PT J AU Beacom, JF Crotty, P Kolb, EW AF Beacom, JF Crotty, P Kolb, EW TI Enhanced signal of astrophysical tau neutrinos propagating through Earth SO PHYSICAL REVIEW D LA English DT Article ID OSCILLATIONS; ENERGIES; FLUX AB Earth absorbs nu(e) and nu(mu) of energies above about 100 TeV. As is well known, although nu(tau) will also disappear through charged-current interactions, the nu(tau) flux will be regenerated by prompt tau decays. We show that this process also produces relatively large fluxes of secondary (ν) over bar (e) and (ν) over bar (mu), greatly enhancing the detectability of the initial nu(tau). This is particularly important because at these energies nu(tau) is a significant fraction of the expected astrophysical neutrino flux, and only a tiny portion of the atmospheric neutrino flux. C1 Fermilab Natl Accelerator Lab, NASA Fermilab Astrophys Ctr, Batavia, IL 60510 USA. Univ Chicago, Dept Phys, Chicago, IL 60637 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. CERN, Div TH, CH-1211 Geneva 23, Switzerland. RP Beacom, JF (reprint author), Fermilab Natl Accelerator Lab, NASA Fermilab Astrophys Ctr, POB 500, Batavia, IL 60510 USA. OI Beacom, John/0000-0002-0005-2631 NR 20 TC 49 Z9 49 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2821 J9 PHYS REV D JI Phys. Rev. D PD JUL 15 PY 2002 VL 66 IS 2 AR 021302 DI 10.1103/PhysRevD.66.021302 PG 4 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 581HJ UT WOS:000177285600002 ER PT J AU Gopalakrishna, S AF Gopalakrishna, S TI Proton decay due to bulk SU(5) gauge bosons in the Randall-Sundrum scenario SO PHYSICAL REVIEW D LA English DT Article ID GRAND UNIFIED THEORIES; FIELDS; SUPERSYMMETRY; DIMENSIONS; MILLIMETER; HIERARCHY AB We calculate the proton decay rate due to five dimensional SU(5) gauge bosons in the Randall-Sundrum scenario with two branes (Planck brane and TeV brane). We consider matter in the usual 10 and (5) over bar SU(5) representations localized on a brane, and consider the case when SU(5) is broken by a Higgs mechanism on the matter brane. We calculate the proton decay rate mediated by X bosons, due to terms in the Lagrangian with X-mu and its derivative along the extra dimension. We confirm that the experimental limit on the proton decay rate allows SU(5) matter to be on the Planck brane, but excludes it from being on the TeV brane in this scenario. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Gopalakrishna, S (reprint author), Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. NR 16 TC 2 Z9 2 U1 0 U2 0 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2821 J9 PHYS REV D JI Phys. Rev. D PD JUL 15 PY 2002 VL 66 IS 2 AR 024011 DI 10.1103/PhysRevD.66.024011 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 581HJ UT WOS:000177285600052 ER PT J AU Argyriou, DN Lynn, JW Osborn, R Campbell, B Mitchell, JF Ruett, U Bordallo, HN Wildes, A Ling, CD AF Argyriou, DN Lynn, JW Osborn, R Campbell, B Mitchell, JF Ruett, U Bordallo, HN Wildes, A Ling, CD TI Glass transition in the polaron dynamics of colossal magnetoresistive manganites SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHARGE; LA1.2SR1.8MN2O7; LA0.7CA0.3MNO3; LA1-XCAXMNO3; COMPETITION; TEMPERATURE; SCATTERING AB Neutron scattering measurements on a bilayer manganite near optimal doping show that the short-range polaron correlations are completely dynamic at high T , but then freeze upon cooling to a temperature T*approximate to310 K . This glass transition suggests that the paramagnetic/insulating state arises from an inherent orbital frustration that inhibits the formation of a long-range orbital- and charge-ordered state. Upon further cooling into the ferromagnetic-metallic state (T-C=114 K) , where the polarons melt, the diffuse scattering quickly develops into a propagating, transverse optic phonon. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Inst Max Von Laue Paul Langevin, F-38042 Grenoble 09, France. RP Hahn Meitner Inst Berlin GmbH, Glienicker Str 100, D-14109 Berlin, Germany. EM argyriou@hmi.de RI Campbell, Branton/A-3990-2008; Ling, Chris D/B-2228-2009; Osborn, Raymond/E-8676-2011; Bordallo, Heloisa/I-6836-2012 OI Ling, Chris D/0000-0003-2205-3106; Osborn, Raymond/0000-0001-9565-3140; Bordallo, Heloisa/0000-0003-0750-0553 NR 22 TC 70 Z9 70 U1 1 U2 6 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 JUL 15 PY 2002 VL 89 IS 3 AR 036401 DI 10.1103/PhysRevLett.89.036401 PG 4 WC Physics, Multidisciplinary SC Physics GA 569JP UT WOS:000176599500029 PM 12144407 ER PT J AU Huber, P Shpyrko, OG Pershan, PS Ocko, BM DiMasi, E Deutsch, M AF Huber, P Shpyrko, OG Pershan, PS Ocko, BM DiMasi, E Deutsch, M TI Tetra point wetting at the free surface of liquid Ga-Bi SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY; UNIVERSALITY; REFLECTIVITY; TRANSITION; ADSORPTION; FILMS; ALLOY AB A continuous surface wetting transition, pinned to a solid-liquid-liquid-vapor tetra coexistence point, is studied by x-ray reflectivity in liquid Ga-Bi binary alloys. The short-range surface potential is determined from the measured temperature evolution of the wetting film. The thermal fluctuations are shown to be insufficient to induce a noticeable breakdown of mean-field behavior, expected in short-range-interacting systems due to their d(u)=3 upper critical dimensionality. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Huber, P (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. RI Huber, Patrick/B-7690-2008; Shpyrko, Oleg/J-3970-2012 OI Huber, Patrick/0000-0002-2126-9100; NR 26 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 JUL 15 PY 2002 VL 89 IS 3 AR 035502 DI 10.1103/PhysRevLett.89.035502 PG 4 WC Physics, Multidisciplinary SC Physics GA 569JP UT WOS:000176599500023 PM 12144401 ER PT J AU Kalosakas, G Rasmussen, KO Bishop, AR AF Kalosakas, G Rasmussen, KO Bishop, AR TI Delocalizing transition of Bose-Einstein condensates in optical lattices SO PHYSICAL REVIEW LETTERS LA English DT Article ID SELF-TRAPPING EQUATION; BREATHERS; ARRAYS; INTERFERENCE; SOLITONS; MODEL AB A Bose-Einstein condensate trapped in a two-dimensional optical lattice exhibits an abrupt transition manifested by the macroscopic wave function changing character from spatially localized to extended. Resulting from a bifurcation, this irreversible transition takes place as the interwell potential barrier is adiabatically decreased below a critical value. This is in sharp contrast to the corresponding one-dimensional case where such a bifurcation is absent and the extent of a localized mode is continuously tunable. We demonstrate how these phenomena can be experimentally explored. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Kalosakas, G (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Rasmussen, Kim/B-5464-2009; Kalosakas, George/L-6211-2013 OI Rasmussen, Kim/0000-0002-4029-4723; Kalosakas, George/0000-0001-7763-718X NR 26 TC 30 Z9 30 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 JUL 15 PY 2002 VL 89 IS 3 AR 030402 DI 10.1103/PhysRevLett.89.030402 PG 4 WC Physics, Multidisciplinary SC Physics GA 569JP UT WOS:000176599500002 PM 12144380 ER PT J AU Knapp, A Kheifets, A Bray, I Weber, T Landers, AL Schossler, S Jahnke, T Nickles, J Kammer, S Jagutzki, O Schmidt, LPH Osipov, T Rosch, J Prior, MH Schmidt-Bocking, H Cocke, CL Dorner, R AF Knapp, A Kheifets, A Bray, I Weber, T Landers, AL Schossler, S Jahnke, T Nickles, J Kammer, S Jagutzki, O Schmidt, LPH Osipov, T Rosch, J Prior, MH Schmidt-Bocking, H Cocke, CL Dorner, R TI Mechanisms of photo double ionization of helium by 530 eV photons SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIFFERENTIAL CROSS-SECTIONS; DOUBLE-PHOTOIONIZATION; PERTURBATION-THEORY; SINGLE; DYNAMICS; RATIO; HE AB We have measured fully differential cross sections for photo double ionization of helium 450 eV above the threshold. We have found an extremely asymmetric energy sharing between the photoelectrons and an angular asymmetry parameter betasimilar or equal to2 and betasimilar or equal to0 for the fast and slow electrons, respectively. The electron angular distributions show a dominance of the shakeoff for 2 eV electrons and clear evidence of an inelastic electron-electron scattering at an electron energy of 30 eV . The data are in excellent agreement with convergent close-coupling calculations. C1 Univ Frankfurt, Inst Kernphys, D-60486 Frankfurt, Germany. Australian Natl Univ, Res Sch Phys Sci & Engn, Canberra, ACT 0200, Australia. Murdoch Univ, Ctr Atom Mol & Surface Phys, Murdoch, WA 6150, Australia. Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Knapp, A (reprint author), Univ Frankfurt, Inst Kernphys, August Euler Str 6, D-60486 Frankfurt, Germany. RI Kheifets, Anatoli/C-9131-2009; Bray, Igor/B-8586-2009; Doerner, Reinhard/A-5340-2008; Landers, Allen/C-1213-2013; Weber, Thorsten/K-2586-2013 OI Kheifets, Anatoli/0000-0001-8318-9408; Bray, Igor/0000-0001-7554-8044; Doerner, Reinhard/0000-0002-3728-4268; Weber, Thorsten/0000-0003-3756-2704 NR 20 TC 89 Z9 90 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 JUL 15 PY 2002 VL 89 IS 3 AR 033004 DI 10.1103/PhysRevLett.89.033004 PG 4 WC Physics, Multidisciplinary SC Physics GA 569JP UT WOS:000176599500012 PM 12144390 ER PT J AU Thayer, GE Bartelt, NC Ozolins, V Schmid, AK Chiang, S Hwang, RQ AF Thayer, GE Bartelt, NC Ozolins, V Schmid, AK Chiang, S Hwang, RQ TI Linking surface stress to surface structure: Measurement of atomic strain in a surface alloy using scanning tunneling microscopy SO PHYSICAL REVIEW LETTERS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; METALS; AU(111); GROWTH AB Annealed submonolayer CoAg/Ru(0001) films form an alloy with a structure that contains droplets of Ag surrounded by Co [G. E. Thayer, V. Ozolins, A. K. Schmid, N. C. Bartelt, M. Asta, J. J. Hoyt, S. Chiang, and R. Q. Hwang, Phys. Rev. Lett. 86, 660 (2001)]. To understand how surface stress contributes to the formation of this structure, we use scanning tunneling microscopy to extract atomic displacements at the boundaries between regions of Co and Ag. Comparing our measurements to Frenkel-Kontorova model calculations, we show how stress due to lattice mismatch contributes to the formation of the alloy droplet structure. In particular, we quantitatively evaluate how competing strain and chemical energy contributions determine surface structure. C1 Sandia Natl Labs, Livermore, CA 94551 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Thayer, GE (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. RI Ozolins, Vidvuds/D-4578-2009 NR 17 TC 24 Z9 24 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 15 PY 2002 VL 89 IS 3 AR 036101 DI 10.1103/PhysRevLett.89.036101 PG 4 WC Physics, Multidisciplinary SC Physics GA 569JP UT WOS:000176599500028 PM 12144406 ER PT J AU Young, L Yang, D Dunford, RW AF Young, L Yang, D Dunford, RW TI Optical production of metastable krypton SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID ATOMS; XENON; BEAM AB We have investigated a new scheme for excitation of the 5s, J = 2 metastable level of Kr (5s[3/2](J=2)) which can be readily extended to other rare gases. In the scheme, an ultraviolet (UV) lamp is used to create a population of Kr atoms in the 5s[3/2](J=1) level in a gas cell. The excited atoms are then pumped to the 5p[3/2](J=2) level, using 819 nm light from a Ti:sapphire laser, from which they decay to the metastable state with a branching, ratio of 77%. We made two striking observations: (1) the laser power required to saturate the second step. decreases markedly as a function of gas cell pressure, and (2) the UV photon flux is converted with very high efficiency (approximate to10%) to metastable atom flux. A Monte Carlo study of the scattering: of UV photons. in, the cell reproduces the trends observed.,The understanding achieved points to the design of a higher flux source of metastable atoms. C1 Peking Univ, Dept Elect, Beijing 10087, Peoples R China. RP Young, L (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 20 TC 17 Z9 18 U1 0 U2 7 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 JUL 14 PY 2002 VL 35 IS 13 BP 2985 EP 2992 AR PII S0953-4075(02)34930-7 DI 10.1088/0953-4075/35/13/311 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 582PP UT WOS:000177360600016 ER PT J AU Buhman, KK Smith, SJ Stone, SJ Repa, JJ Wong, JS Knapp, FF Burri, BJ Hamilton, RL Abumrad, NA Farese, RV AF Buhman, KK Smith, SJ Stone, SJ Repa, JJ Wong, JS Knapp, FF Burri, BJ Hamilton, RL Abumrad, NA Farese, RV TI DGAT1 is not essential for intestinal triacylglycerol absorption or chylomicron synthesis SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID DIACYLGLYCEROL ACYLTRANSFERASE; MONOACYLGLYCEROL ACYLTRANSFERASE; APOLIPOPROTEIN-B; CHOLESTEROL; LIVER; MICE; ACID AB Dietary triacylglycerols are a major source of energy for animals. The absorption of dietary triacylglycerols involves their hydrolysis to free fatty acids and monoacylglycerols in the intestinal lumen, the uptake of these products into enterocytes, the resynthesis of triacylgylcerols, and the incorporation of newly synthesized triacylglycerols into nascent chylomicrons for secretion. In enterocytes, the final step in triacylglycerol synthesis is believed to be catalyzed primarily through the actions of acyl-CoA:diacylglycerol acyltransferase (DGAT) enzymes. In this study, we analyzed intestinal triacylglycerol absorption and chylomicron synthesis and secretion in DGAT1-deficient (Dgat1(-/-)) mice. Surprisingly, DGAT1 was not essential for quantitative dietary triacylglycerol absorption, even in mice fed a high fat diet, or for the synthesis of chylomicrons. However, Dgat1(-/-)mice had reduced postabsorptive chylomicronemia (1 h after a high fat challenge) and accumulated neutrallipid droplets in the cytoplasm of enterocytes when chronically fed a high fat diet. These results suggest a reduced rate of triacylglycerol absorption in Dgat1(-/-)mice. Analysis of intestine from Dgat1(-/-) mice revealed activity for two other enzymes, DGAT2 and diacylglycerol transacylase, that catalyze triacylglycerol synthesis and apparently help to compensate for the absence of DGAT1. Our findings indicate that multiple mechanisms for triacylglycerol synthesis in the intestine facilitate triacylglycerol absorption. C1 Gladstone Inst Cardiovasc Dis, San Francisco, CA 94141 USA. Univ Calif San Francisco, Dept Med, Cardiovasc Res Inst, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Med, Dept Anat, San Francisco, CA 94143 USA. Univ Texas, SW Med Ctr, Dept Pharmacol, Dallas, TX 75390 USA. Oak Ridge Natl Lab, Nucl Med Program, Oak Ridge, TN 37831 USA. USDA, Western Human Nutr Res Ctr, Davis, CA 95616 USA. SUNY Stony Brook, Dept Physiol & Biophys, Stony Brook, NY 11793 USA. RP Farese, RV (reprint author), Gladstone Inst Cardiovasc Dis, San Francisco, CA 94141 USA. FU NIDDK NIH HHS [R01 DK056084, DK56084] NR 20 TC 139 Z9 155 U1 0 U2 7 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 JUL 12 PY 2002 VL 277 IS 28 BP 25474 EP 25479 DI 10.1074/jbc.M202013200 PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 571YP UT WOS:000176747000082 PM 11959864 ER PT J AU Kaczmarski, K Cavazzini, A Szabelski, P Zhou, DM Liu, XD Guiochon, G AF Kaczmarski, K Cavazzini, A Szabelski, P Zhou, DM Liu, XD Guiochon, G TI Application of the general rate model and the generalized Maxwell-Stefan equation to the study of the mass transfer kinetics of a pair of enantiomers SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE enantiomeric separation; general rate model; generalized Maxwell-Stefan equation; kinetic studies ID ADSORPTION BEHAVIOR; DIFFUSION; CELLULOSE; 1-PHENYL-1-PROPANOL; CHROMATOGRAPHY; PROFILES; ZEOLITES; PHASE AB The general rate model of chromatography can be coupled with the generalized Maxwell-Stefan equation that describes the surface diffusion flux. The resulting model is useful to describe the behavior of two enantiomers during their separation on chiral phases, cases in which the mass transfer kinetics is known to be sluggish. A case in point is the modeling of the elution profiles of the racemic mixture of the two enantiomers of 1-phenyl-1-propanol on cellulose tribenzoate coated on silica, a popular chiral stationary phase. The competitive equilibrium isotherm behavior of the two enantiomers on the chiral stationary phase was described using the competitive Toth isotherm model. An excellent agreement between the experimental and the calculated profiles was observed in the whole range of experimental conditions investigated, at low and high column loadings. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RI Cavazzini, Alberto/B-7051-2015 OI Cavazzini, Alberto/0000-0002-2510-0871 NR 24 TC 25 Z9 25 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD JUL 12 PY 2002 VL 962 IS 1-2 BP 57 EP 67 AR PII S0021-9673(02)00585-X DI 10.1016/S0021-9673(02)00585-X PG 11 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 577LB UT WOS:000177061400006 PM 12198972 ER PT J AU O'Neill, HJ Brubaker, KL Schneider, JF Sytsma, LF Kimmell, TA AF O'Neill, HJ Brubaker, KL Schneider, JF Sytsma, LF Kimmell, TA TI Development of an analytical methodology for sarin (GB) and soman (GD) in various military-related-wastes SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE warfare agents; soil; environmental analysis; validation; sarin; soman; organophosphorous compounds AB The Army requires analytical methods that can detect chemical agents down to the low part-per-billion (ppb) levels in their waste streams in order to meet various state regulations regarding the classification of hazardous waste. Analytical methods were developed for the measurement of sarin (GB) and soman (GD) at ppb levels that involved preconcentration of relatively large volumes (40-150 mul) of a chloroform extract onto a sorbent cartridge, followed by thermal desorption and analysis by GC-flame photometric detection. Certified reporting limits (CRLs) achieved with these methods ranged from 8.3 to 19 ppb for GB and from 1.8 to 5.3 ppb for GD in the three matrices screened. Method detection limits (MDLs) achieved with these methods ranged from 1.7 to 8.2 ppb for GB and from 0.39 to 1.2 ppb for GD. The methods are capable of achieving lower CRLs and MDLs with only minor modification. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Argonne Natl Lab, Energy Syst Div, Argonne, IL 60439 USA. Argonne Natl Lab, Environm Assessment Div, Argonne, IL 60439 USA. RP O'Neill, HJ (reprint author), Argonne Natl Lab, Energy Syst Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 11 TC 9 Z9 9 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD JUL 12 PY 2002 VL 962 IS 1-2 BP 183 EP 195 AR PII S0021-9673(02)00464-8 DI 10.1016/S0021-9673(02)00464-8 PG 13 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 577LB UT WOS:000177061400017 PM 12198962 ER PT J AU Tamura, M Holbrook, SR AF Tamura, M Holbrook, SR TI Sequence and structural conservation in RNA ribose zippers SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE ribosomal RNA; RNA ribose zipper; RNA tertiary interaction; protein-RNA interaction; A-minor motif ID ESCHERICHIA-COLI RIBOSOMES; CRYSTAL-STRUCTURE; SUBUNIT; COMPLEX; SITE; RIBOZYME; PROTEINS; PACKING; HELIX AB The "ribose zipper", an important element of RNA tertiary structure, is characterized by consecutive hydrogen-bonding interactions between ribose 2-hydroxyls from different regions of an RNA chain or between RNA chains. These tertiary contacts have previously been observed to also involve base-backbone and base-base interactions (A-minor type). We searched for ribose zipper tertiary interactions in the crystal structures of the large ribosomal subunit RNAs of Haloarcula marismortui and Deinococcus radiodurans, and the small ribosomal subunit RNA of Thermus thermophilus and identified a total of 97 ribose zippers. Of these, 20 were found in T thermophilus 16 S rRNA, 44 in H. marismortui 23 S rRNA (plus 2 bridging 5 S and 23 S rRNAs) and 30 in D. radiodurans 23 S rRNA (plus 1 bridging 5 S and 23 S rRNAs). These were analyzed in terms of sequence conservation, structural conservation and stability location in secondary structure, and phylogenetic conservation. Eleven types of ribose zippers were defined based on ribose-base interactions. Of these 11, seven were observed in the ribosomal RNAs. The most common of these is the canonical ribose zipper, originally observed in the P4-P6 group I intron fragment. All ribose zippers were formed by antiparallel chain interactions and only a single example extended beyond two residues, forming an overlapping ribose zipper of three consecutive residues near the small subunit A-site. Almost all ribose zippers link stem (Watson-Crick duplex) or stem-like (base-paired), with loop (external, internal, or junction) chain segments. About two-thirds of the observed ribose zippers interact with ribosomal proteins. Most of these ribosomal proteins bridge the ribose zipper chain segments with basic amino acid residues hydrogen bonding to the RNA backbone. Proteins involved in crucial ribosome function and in early stages of ribosomal assembly also stabilize ribose zipper interactions. All ribose zippers show strong sequence conservation both within these three ribosomal RNA structures and in a large database of aligned prokaryotic sequences. The physical basis of the sequence conservation is stacked base triples formed between consecutive base-pairs on the stem or stem-like segment with bases (often adenines) from the loop-side segment. These triples have previously been characterized as Type I and Type II A-minor motifs and are stabilized by base-base and base-ribose hydrogen bonds. The sequence and structure conservation of ribose zippers can be directly used in tertiary structure prediction and may have applications in molecular modeling and design. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Dept Biol Struct, Phys Biosci Div, Melvin Calvin Lab 132, Berkeley, CA 94720 USA. RP Holbrook, SR (reprint author), Lawrence Berkeley Natl Lab, Dept Biol Struct, Phys Biosci Div, Melvin Calvin Lab 132, 1 Cyclotron Rd,Bldg 3, Berkeley, CA 94720 USA. NR 28 TC 56 Z9 59 U1 0 U2 4 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 JUL 12 PY 2002 VL 320 IS 3 BP 455 EP 474 DI 10.1016/S0022-2836(02)00515-6 PG 20 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 578CB UT WOS:000177098900003 PM 12096903 ER PT J AU Thrall, KD Soelberg, JJ Weitz, KK Woodstock, AD AF Thrall, KD Soelberg, JJ Weitz, KK Woodstock, AD TI Development of a physiologically based pharmacokinetic model for methyl ethyl ketone in F344 rats SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A LA English DT Article ID PARTITION-COEFFICIENTS; BUTYL KETONE; GAS UPTAKE; EXPOSURE; POTENTIATION; METABOLITES; CHEMICALS; KINETICS; WORKERS; BLOOD AB A physiologically based pharmacokinetic (PBPK) model to describe the absorption, distribution, metabolism, and elimination of methyl ethyl ketone (MEK) in rats was developed. Partition coefficients were experimentally determined in rat tissues and blood samples using an in vitro vial equilibration technique. These solubility ratios severe in agreement with previous human-based estimates that MEK is uniformly soluble within all tissues. The in vivo metabolism of MEK was evaluated using groups of three F344 male rats exposed to 100-2000 ppm MEK in a closed, recirculating gas uptake system. An optimal fit of a family of uptake curves was obtained by adjusting Michaelis-Menten metabolic constants, K-m (affinity), and V-max (capacity) using the PBPK model. At the highest chamber concentration, the uptake curve could not be modeled without the addition of a first-order (K-fo) metabolic pathway. Pretreatment with pyrazole, an inhibitor of oxidative microsomal metabolism, decreased the slope of the gas uptake curve but did not abolish metabolism. Optimal model fit to the gas uptake curve from pyrazole-pretreated animals required the apparent K-m to be increased roughly 50 times the value determined in naive rats. The completed PBPK model seas evaluated against real-time exhaled breath data collected from rats receiving an intravenous (iv) injection of MEK via a jugular vein cannula. Model simulation of the iv-treated animals required alveolar ventilation to be reduced 30% in order to match the data. Exhaled breath profiles from animals treated with MEK by oral gavage or intraperitoneal (ip) injection were evaluated and absorption rates seas determined. Development of a comprehensive PBPK model for MEK in rats is the first step toward future extrapolations to apply to humans. C1 Pacific NW Natl Lab, Mol Biosci Dept, Fundamental Sci Div, Richland, WA 99352 USA. RP Thrall, KD (reprint author), Pacific NW Natl Lab, Mol Biosci Dept, Fundamental Sci Div, 902 Battelle Blvd,Mail Stop P7-59, Richland, WA 99352 USA. FU NIOSH CDC HHS [1-R01-OH03658-01A2] NR 20 TC 6 Z9 10 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1528-7394 J9 J TOXICOL ENV HEAL A JI J. TOXICOL. ENV. HEALTH PT A PD JUL 12 PY 2002 VL 65 IS 13 BP 881 EP 896 DI 10.1080/00984100290071207 PG 16 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 566QP UT WOS:000176440000001 PM 12133235 ER PT J AU Enzer, DG Hadley, PG Hughes, RJ Peterson, CG Kwiat, PG AF Enzer, DG Hadley, PG Hughes, RJ Peterson, CG Kwiat, PG TI Entangled-photon six-state quantum cryptography SO NEW JOURNAL OF PHYSICS LA English DT Article ID KEY DISTRIBUTION; BELL THEOREM; PROTOCOL; ATTACKS; STATES AB We have implemented the 'six-state' quantum cryptography protocol using polarization-entangled photon pairs, in which the polarization of each photon of a pair is measured in one of three randomly chosen bases. For a given amount of eavesdropping, this protocol results in a larger error rate than in four- or two-state protocols, but reduces the number of key-producing events. We have experimentally investigated several incoherent eavesdropping strategies, and verified the predicted enhancement in error rate. However, we demonstrate that for low error rates, the efficiency for secret key generation is higher when using the four- state protocol. C1 CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. RP CALTECH, Jet Prop Lab, 4800 Oak Grove Dr,MS-208-100, Pasadena, CA 91109 USA. EM kwiat@uiuc.edu NR 31 TC 13 Z9 13 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 12 PY 2002 VL 4 AR 45 DI 10.1088/1367-2630/4/1/345 PG 8 WC Physics, Multidisciplinary SC Physics GA 573DK UT WOS:000176813900005 ER PT J AU Hughes, RJ Nordholt, JE Derkacs, D Peterson, CG AF Hughes, RJ Nordholt, JE Derkacs, D Peterson, CG TI Practical free-space quantum key distribution over 10 km in daylight and at night SO NEW JOURNAL OF PHYSICS LA English DT Article ID PRIVACY AMPLIFICATION; CRYPTOGRAPHY; ATTACKS AB We have demonstrated quantum key distribution (QKD) (Bennett C H and Brassard G 1984 Proc. IEEE Int. Conf. on Computers, Systems, and Signal Processing (Bangalore, India) p 175) over a 10 km, 1-airmass atmospheric range during daylight and at night. Secret random bit sequences of the quality required for the cryptographic keys used to initialize secure communications devices were transferred at practical rates with realistic security. By identifying the physical parameters that determine the system's secrecy efficiency, we infer that free-space QKD will be practical over much longer ranges under these and other atmospheric and instrumental conditions. C1 Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Hughes, RJ (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. NR 27 TC 180 Z9 182 U1 4 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD JUL 12 PY 2002 VL 4 AR 43 DI 10.1088/1367-2630/4/1/343 PG 14 WC Physics, Multidisciplinary SC Physics GA 573DK UT WOS:000176813900003 ER PT J AU Bockrath, B Johnson, JK Sholl, DS Howard, B Matranga, C Shi, W Sorescu, D AF Bockrath, B Johnson, JK Sholl, DS Howard, B Matranga, C Shi, W Sorescu, D TI Igniting nanotubes with a flash SO SCIENCE LA English DT Letter C1 Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Bockrath, B (reprint author), Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. RI Matranga, Christopher/E-4741-2015; Johnson, Karl/E-9733-2013 OI Matranga, Christopher/0000-0001-7082-5938; Johnson, Karl/0000-0002-3608-8003 NR 0 TC 25 Z9 26 U1 2 U2 13 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 JUL 12 PY 2002 VL 297 IS 5579 BP 192 EP 192 DI 10.1126/science.297.5579.192 PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 571UT UT WOS:000176738100015 PM 12117006 ER PT J AU Corneliussen, ST AF Corneliussen, ST TI Jury out on Jefferson's alleged descendants SO NATURE LA English DT Letter C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RP Corneliussen, ST (reprint author), Thomas Jefferson Natl Accelerator Facil, 12000 Jefferson Ave, Newport News, VA 23606 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD JUL 11 PY 2002 VL 418 IS 6894 BP 125 EP 125 DI 10.1038/418125c PG 1 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 571GV UT WOS:000176710400015 PM 12110861 ER PT J AU Dai, ZR Bradley, JP Joswiak, DJ Brownlee, DE Hill, HGM Genge, MJ AF Dai, ZR Bradley, JP Joswiak, DJ Brownlee, DE Hill, HGM Genge, MJ TI Possible in situ formation of meteoritic nanodiamonds in the early Solar System SO NATURE LA English DT Article ID INTERPLANETARY DUST PARTICLES; PRESOLAR DIAMONDS; GRAINS; COMETS; CARBON AB Grains of dust that pre-date the Sun provide insights into their formation around other stars and into the early evolution of the Solar System(1-4). Nanodiamonds recovered from meteorites, which originate in asteroids, have been thought to be the most abundant type of presolar grain(3,4). If that is true, then nanodiamonds should be at least as abundant in comets, because they are thought to have formed further out in the early Solar System than the asteroid parent bodies, and because they should be more pristine(5-7). Here we report that nanodiamonds are absent or very depleted in fragile, carbon-rich interplanetary dust particles, some of which enter the atmosphere at speeds within the range of cometary meteors(8,9). One interpretation of the results is that some (perhaps most) nanodiamonds formed within the inner Solar System and are not presolar at all, consistent with the recent detection of nanodiamonds within the accretion discs of other young stars(10). An alternative explanation is that all meteoritic nanodiamonds are indeed presolar, but that their abundance decreases with heliocentric distance, in which case our understanding of large-scale transport and circulation within the early Solar System is incomplete(11). C1 Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. NASA, Goddard Space Flight Ctr, Extraterr Phys Lab, Greenbelt, MD 20771 USA. Nat Hist Museum, Dept Mineral, London SW7 5BD, England. RP Bradley, JP (reprint author), Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Mail Stop L-413,7000 East Ave, Livermore, CA 94550 USA. EM jbradley@igpp.ucllnl.org RI Dai, Zurong/E-6732-2010 NR 28 TC 92 Z9 94 U1 2 U2 18 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD JUL 11 PY 2002 VL 418 IS 6894 BP 157 EP 159 DI 10.1038/nature00897 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 571GV UT WOS:000176710400032 PM 12110882 ER PT J AU Moses, WW AF Moses, WW TI Current trends in scintillator detectors and materials SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 3rd International Workshop on Radiation Imaging Detectors CY SEP 23-27, 2001 CL OROSEI, ITALY SP ATS, Planmed, Scanditronix, Perkin Elmer, Casic, INFN ID ENERGY-RESOLUTION SCINTILLATOR; CALORIMETRY AB The last decade has seen a renaissance in inorganic scintillator development for gamma ray detection. Lead tungstate (PbWO4) has been developed for high-energy physics experiments, and possesses exceptionally high density and radiation hardness, albeit with low luminous efficiency. Lutetium orthosilicate or LSO (Lu2SiO5:Ce) possesses a unique combination of high luminous efficiency, high density, and reasonably short decay time, and is now incorporated in commercial positron emission tomography cameras. There have been advances in understanding the fundamental mechanisms that limit energy resolution, and several recently discovered materials (such as LaBr3:Ce) possess energy resolution that approaches that of direct solid state detectors. Finally, there are indications that a neglected class of scintillator materials that exhibit near band-edge fluorescence could provide scintillators with sub-nanosecond decay times and high luminescent efficiency. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Moses, WW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mailstop 55-121,Cyclotron Rd, Berkeley, CA 94720 USA. NR 18 TC 159 Z9 167 U1 7 U2 48 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 JUL 11 PY 2002 VL 487 IS 1-2 BP 123 EP 128 AR PII S0168-9002(02)00955-5 DI 10.1016/S0168-9002(02)00955-5 PG 6 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 579KQ UT WOS:000177177500020 ER PT J AU Baylac, M Burtin, E Cavata, C Escoffier, S Frois, B Lhuillier, D Marie, F Martino, J Neyret, D Pussieux, T Bertin, PY de Jager, CW Mitchell, J AF Baylac, M Burtin, E Cavata, C Escoffier, S Frois, B Lhuillier, D Marie, F Martino, J Neyret, D Pussieux, T Bertin, PY de Jager, CW Mitchell, J TI First electron beam polarization measurements with a Compton polarimeter at Jefferson Laboratory SO PHYSICS LETTERS B LA English DT Article DE Compton polarimeter; Jefferson Laboratory ID FABRY-PEROT CAVITY; SCATTERING AB A Compton polarimeter has been installed in Hall A at Jefferson Laboratory. This Letter reports on the first electron beam polarization measurements performed during the HAPPEX experiment at an electron energy of 3.3 GeV and an average current of 40 muA. The heart of this device is a Fabry-Perot cavity which increased the luminosity for Compton scattering in the interaction region so much that a 1.4% statistical accuracy could be obtained within one hour, with a 3.3% total error. (C) 2002 Elsevier Science B.V. All rights reserved. C1 CEA Saclay, DSM, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. Univ Clermont Ferrand, F-63177 Aubiere, France. CNRS, IN2P3, LPC, F-63177 Aubiere, France. Jefferson Lab, Newport News, VA 23606 USA. RP Pussieux, T (reprint author), CEA Saclay, DSM, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. RI CAVATA, Christian/P-6496-2015 NR 13 TC 27 Z9 27 U1 0 U2 3 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 JUL 11 PY 2002 VL 539 IS 1-2 BP 8 EP 12 AR PII S0370-2693(02)02091-9 DI 10.1016/S0370-2693(02)02091-9 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 574HL UT WOS:000176883100002 ER PT J AU Teaney, D Venugopalan, R AF Teaney, D Venugopalan, R TI Classical computation of elliptic flow at large transverse momentum SO PHYSICS LETTERS B LA English DT Article ID GLUON DISTRIBUTION-FUNCTIONS; NUCLEUS-NUCLEUS COLLISIONS; SPS; RADIATION; QUARK AB We compute the contribution of classical fields to the second Fourier coefficient (nu(2)) of the azimuthal gluon distribution at large transverse momentum in heavy ion collisions. We find that the classical contribution to the flow alone cannot account for the experimentally observed behavior of nu(2)(p(t)) at large transverse momentum pt. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, BNL, Res Ctr, Upton, NY 11973 USA. Brookhaven Natl Lab, RIKEN, BNL, Res Ctr, Upton, NY 11973 USA. RP Teaney, D (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 18 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 JUL 11 PY 2002 VL 539 IS 1-2 BP 53 EP 58 AR PII S0370-2693(02)02038-5 DI 10.1016/S0370-2693(02)02038-5 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 574HL UT WOS:000176883100007 ER PT J AU Manohar, AV Mehen, T Pirjol, D Stewart, IW AF Manohar, AV Mehen, T Pirjol, D Stewart, IW TI Reparameterization invariance for collinear operators SO PHYSICS LETTERS B LA English DT Article ID QUARK EFFECTIVE THEORY; REPARAMETRIZATION INVARIANCE AB We discuss restrictions on operators in the soft-collinear effective theory (SCET) which follow from the ambiguity in the decomposition of collinear momenta and the freedom in the choice of light-like basis vectors n and (n) over bar. Invariance of SCET under small changes in n and/or (n) over bar implies a symmetry of the effective theory that constrains the form of allowed operators with collinear fields. The restrictions occur at a given order in the power counting as well as between different orders. As an example, we present the complete set of higher order operators that are related to the collinear quark kinetic term. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. Jefferson Lab, Newport News, VA 23606 USA. Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. RP Manohar, AV (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. NR 13 TC 75 Z9 75 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 JUL 11 PY 2002 VL 539 IS 1-2 BP 59 EP 66 AR PII S0370-2693(02)02029-4 DI 10.1016/S0370-2693(02)02029-4 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 574HL UT WOS:000176883100008 ER PT J AU Nelson, CA Cook, KH Axelrod, TS Mould, JR Alcock, C AF Nelson, CA Cook, KH Axelrod, TS Mould, JR Alcock, C TI A proper-motion survey for white dwarfs with the Wide Field Planetary Camera 2 SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; Galaxy : halo; Galaxy : structure; white dwarfs ID HUBBLE-SPACE-TELESCOPE; HALO DARK-MATTER; GALACTIC HALO; MACHO PROJECT; STAR COUNTS; MASS STARS; THICK DISK; WFPC2; LUMINOSITY; OLD AB We have performed a search for halo white dwarfs as high proper motion objects in a second-epoch Wide Field Planetary Camera 2 image of the Groth-Westphal strip. The survey covers 74.8 arcmin(2) and is complete to V similar to 26.5. We identify 24 high proper motion objects with mu > 0."014 yr(-1). Five of these high proper motion objects are identified as strong white dwarf candidates on the basis of their position in a reduced proper motion diagram. We also identify two marginal candidates whose photometric errors place them within similar to1 sigma of the white dwarf region of the reduced proper motion diagram. We create a model of the Milky Way thin disk, thick disk, and stellar halo and find that this sample of white dwarfs is clearly an excess above the less than or equal to2 detections expected from these known stellar populations. The origin of the excess signal is less clear. Possibly, the excess cannot be explained without invoking a fourth galactic component: a white dwarf dark halo. Previous work of this nature has separated white dwarf samples into various galactic components based on kinematics; distances, and thus velocities, are unavailable for a sample this faint. Therefore, we present a statistical separation of our sample into the four components and estimate the corresponding local white dwarf densities using only the directly observable variables, V, (V-I), and mu. For all Galactic models explored, our five white dwarf sample separates into about three disk white dwarfs and two halo white dwarfs. However, the further subdivision into the thin and thick disk and the stellar and dark halo, and the subsequent calculation of the local densities, are sensitive to the input parameters of our model for each Galactic component. Using the lowest mean mass model for the dark halo and the five white dwarf sample, we find n(0,thin disk) = 2.4(-0.6)(0.7) x 10(-2) pc, n(0, thick disk) = 0.0(+7.6) x 10(-4) pc(-3), n(0,) (stellar halo) = 0.0(+7.7) x 10(-5) pc(-3), and n(0, dark halo) = 1.0(-0.4)(+0.4) x 10(-3) pc(-3). This implies a 7% white dwarf halo and 6 times the canonical value for the thin disk white dwarf density (at marginal statistical significance), but possible systematic errors due to uncertainty in the model parameters likely dominate these statistical error bars. The white dwarf halo can be reduced to similar to1.5% of the halo dark matter by changing the initial mass function slightly. The local thin disk white dwarf density in our solution can be made consistent with the canonical value by assuming a larger thin disk scale height of 500 pc. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Ctr Particle Astrophys, Berkeley, CA 94720 USA. Mt Stromlo & Siding Spring Observ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. Natl Opt Astron Observ, Tucson, AZ 85726 USA. Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. RP Nelson, CA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. NR 40 TC 20 Z9 20 U1 0 U2 1 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 JUL 10 PY 2002 VL 573 IS 2 BP 644 EP 661 DI 10.1086/340759 PN 1 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 570MX UT WOS:000176663000015 ER PT J AU Gregg, MD Becker, RH White, RL Richards, GT Chaffee, FH Fan, XH AF Gregg, MD Becker, RH White, RL Richards, GT Chaffee, FH Fan, XH TI An FeLoBAL binary quasar SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : interactions; quasars : absorption lines; quasars : general ID BROAD ABSORPTION-LINE; DIGITAL SKY SURVEY; STELLAR OBJECTS; QSO; EMISSION AB In an ongoing infrared imaging survey of quasars at the Keck Observatory, we have discovered that the z = 1/285 quasar SDSS J233646.2-010732.6 comprises two point sources with a separation of 1."67. Resolved spectra show that one component is a standard quasar with a blue continuum and broad emission lines; the other is a broad absorption line (BAL) quasar, specifically, a BAL QSO with prominent absorption from Mg II and metastable Fe II, making it a member of the "FeLoBAL" class. The number of known FeLoBALs has recently grown dramatically from a single example to more than a dozen, including a gravitationally lensed example and the binary member presented here, suggesting that this formerly rare object may be fairly common. Additionally, the presence of this BAL quasar in a relatively small separation binary adds to the growing evidence that the BAL phenomenon is not due to viewing a normal quasar at a specific orientation but rather that it is an evolutionary phase in the life of many, if not all, quasars and is particularly associated with conditions found in interacting systems. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. WM Keck Observ, Kamuela, HI 96743 USA. Inst Adv Study, Princeton, NJ USA. RP Gregg, MD (reprint author), Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. EM gregg@igpp.ucllnl.org; bob@igpp.ucllnl.org; rlw@stsci.edu; gtr@astro.psu.edu; fchaffee@keck.hawaii.edu; fan@sns.ias.edu NR 23 TC 17 Z9 17 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JUL 10 PY 2002 VL 573 IS 2 BP L85 EP L89 DI 10.1086/342088 PN 2 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 570MY UT WOS:000176663100005 ER PT J AU Turcotte, S AF Turcotte, S TI Mixing and accretion in lambda Bootis stars SO ASTROPHYSICAL JOURNAL LA English DT Article DE stars : abundances; stars : evolution; stars : interiors ID MERIDIONAL CIRCULATION; PARTICLE-TRANSPORT; DIFFUSION-MODEL; A-STAR; F-STAR; PULSATION; MASS AB Strong evidence for deep mixing has been uncovered for slowly rotating F and A stars of the main sequence. As the accretion/diffusion model for the formation of lambda Bootis stars is heavily dependent on mixing in superficial regions, such deep mixing may have important repercussions on our understanding of these stars. It is shown that deep mixing at a level similar to that of FmAm stars increases the amount of matter that needs to be accreted by the stars with respect to the standard models by some 3 orders of magnitude. It is also shown that significantly larger accretion rates have to be maintained, as high as 10(-11) M. yr(-1), to prevent meridional circulation from canceling the effect of accretion. The existence of old (approximate to1 Gyr) stars is not a likely outcome of the present models for accretion/diffusion with or without deep mixing. It is argued that lambda Bootis stars are potentially very good diagnostics of mixing mechanisms in moderately fast rotators. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Turcotte, S (reprint author), Lawrence Livermore Natl Lab, L-413,POB 808, Livermore, CA 94551 USA. NR 26 TC 13 Z9 13 U1 0 U2 1 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 JUL 10 PY 2002 VL 573 IS 2 BP L129 EP L132 DI 10.1086/342054 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 570MY UT WOS:000176663100014 ER PT J AU Frauenfelder, H Fenimore, PW McMahon, BH AF Frauenfelder, H Fenimore, PW McMahon, BH TI Hydration, slaving and protein function SO BIOPHYSICAL CHEMISTRY LA English DT Article DE myoglobin; protein dynamics; protein function; solvent influence; hydration; trehalose ID LIGAND-BINDING; HEME-PROTEINS; CARBONMONOXY-MYOGLOBIN; ENERGY LANDSCAPE; CO BINDING; X-RAY; CONFORMATIONAL RELAXATION; SOLVENT VISCOSITY; ROOM-TEMPERATURE; WATER-MOLECULES AB Protein dynamics is crucial for protein function. Proteins in living systems are not isolated, but operate in networks and in a carefully regulated environment. Understanding the external control of protein dynamics is consequently important. Hydration and solvent viscosity are among the salient properties of the environment. Dehydrated proteins and proteins in a rigid environment do not function properly. It is consequently important to understand the effect of hydration and solvent viscosity in detail. We discuss experiments that separate the two effects. These experiments have predominantly been performed with wild-type horse and sperm whale myoglobin, using the binding of carbon monoxide over a broad range of temperatures as a tool. The experiments demonstrate that data taken only in the physiological temperature range are not sufficient to understand the effect of hydration and solvent on protein relaxation and function. While the actual data come from myoglobin, it is expected that the results apply to most or all globular proteins. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Ctr Nonlinear Studies, MS B258, Los Alamos, NM 87545 USA. EM fenimore@cnls.lanl.gov NR 71 TC 102 Z9 102 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-4622 EI 1873-4200 J9 BIOPHYS CHEM JI Biophys. Chem. PD JUL 10 PY 2002 VL 98 IS 1-2 BP 35 EP 48 AR PII S0301-4622(02)00083-2 DI 10.1016/S0301-4622(02)00083-2 PG 14 WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical SC Biochemistry & Molecular Biology; Biophysics; Chemistry GA 584CQ UT WOS:000177450000005 PM 12128188 ER PT J AU Pratt, ST AF Pratt, ST TI Photoionization of DABCO via high vibrational levels of the S-1 state SO CHEMICAL PHYSICS LETTERS LA English DT Article ID RYDBERG STATES; SEMIEMPIRICAL METHODS; FREE-JET; IONIZATION; SPECTROSCOPY; OPTIMIZATION; PARAMETERS; SPECTRA; AMINES; SPACE AB The photoelectron spectrum following resonant two-photon ionization of 1,4-diazabicyclo[2.2.2]octane (DABCO) was recorded with the laser tuned to the origin band of the S-2 --> S-0 transition. The spectrum is consistent with the rapid radiationless transition from the S-2 state into high vibrational levels of the S-1 state, its proposed by Smith et al. [J. Phys. Chem. 88 (1984) 2250]. Features in the double-resonance spectrum of Smith et al. that were previously assigned to photoionization of S(-) 3s(-) (1)A"(2) vibrational levels populated by it radiationless transition from the S-2 state are reinterpreted. with the conclusion that the S(-) state has yet to be observed. (C) 2002 Published by Elsevier Science B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Pratt, ST (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Argonne Natl Lab Bldg 200, Argonne, IL 60439 USA. NR 28 TC 2 Z9 2 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 JUL 10 PY 2002 VL 360 IS 3-4 BP 406 EP 413 AR PII S0009-2614(02)00877-1 DI 10.1016/S0009-2614(02)00877-1 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 578TV UT WOS:000177136800031 ER PT J AU Concus, P Golub, GH Sun, Y AF Concus, P Golub, GH Sun, Y TI Object-oriented parallel algorithms for computing three-dimensional isopycnal flow SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article DE isopycnal flow; preconditioned conjugate gradients; parallel computation; object-oriented simulation AB In this paper, we derive an object-oriented parallel algorithm for three-dimensional isopycnal flow simulations. The matrix formulation is central to the algorithm. It enables us to apply an efficient preconditioned conjugate gradient linear solver for the global system of equations, and leads naturally to an object-oriented data structure design and parallel implementation. We discuss as well, in less detail, a similar algorithm based on the reduced system, suitable also for parallel computation. Favorable performances are observed on test problems. Copyright (C) 2002 John Wiley Sons, Ltd. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. Stanford Univ, SCCM, Stanford, CA 94305 USA. RP Concus, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, MS 50A-1148, Berkeley, CA 94720 USA. NR 9 TC 0 Z9 0 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI W SUSSEX PA BAFFINS LANE CHICHESTER, W SUSSEX PO19 1UD, ENGLAND SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD JUL 10 PY 2002 VL 39 IS 7 BP 585 EP 605 DI 10.1002/fld.257 PG 21 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 568QE UT WOS:000176553100002 ER PT J AU White, JM Muller, SJ AF White, JM Muller, SJ TI Experimental studies on the stability of Newtonian Taylor-Couette flow in the presence of viscous heating SO JOURNAL OF FLUID MECHANICS LA English DT Article ID TEMPERATURE-GRADIENT; ROTATING CYLINDERS AB The dramatic effects of viscous dissipation on the stability of Newtonian Taylor-Couette (TC) flows are studied experimentally using flow visualization techniques. Viscous heating, parameterized by the Nahme-Griffith number Na, drives a transition to a new, oscillatory mode of instability when coupled with the effects of centrifugal destabilization. This instability, consisting of travelling axisymmetric vortices, only occurs when viscous heating and centrifugal destabilization are both present. Step tests in cylinder velocity show that the time following initiation of shearing required for onset of instability scales well with the time for the fluid to reach a steady temperature profile under the action of viscous heating. The onset time can be dramatically reduced at fixed Na by increasing the centrifugal destabilization through the addition of co-rotation of the outer cylinder. The onset time can also be reduced while holding the centrifugal destabilization constant by increasing the amount of viscous heating (i.e. holding Reynolds number Re constant while increasing Na). The effects of viscous heating on the critical conditions of Newtonian TC flows are also quantified using ramp tests in cylinder velocity. These tests reveal the large extent to which viscous heating is destabilizing; at Na approximate to 2, a transition occurs at a critical Re that is less than 5% of the isothermal value. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Muller, SJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. NR 20 TC 23 Z9 23 U1 0 U2 6 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4221 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD JUL 10 PY 2002 VL 462 BP 133 EP 159 DI 10.1017/S0022112002008443 PG 27 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 583BP UT WOS:000177385900006 ER PT J AU Pringle, SE Glass, RJ AF Pringle, SE Glass, RJ TI Double-diffusive finger convection: influence of concentration at fixed buoyancy ratio SO JOURNAL OF FLUID MECHANICS LA English DT Article ID HELE-SHAW CELL; RAYLEIGH-TAYLOR INSTABILITY; SALT FINGERS; DISPERSION; FRACTURES AB Double-diffusive finger convection is studied experimentally in a transparent Hele-Shaw cell for a two-solute system. A less dense sucrose solution is layered on top of a more dense salt solution using a laminar flow technique, and convective motion is followed photographically from the static state. We systematically increase solute concentrations from dilute to the solubility limit of the salt solution while maintaining a fixed buoyancy ratio of approximately 1.08. Across the 14 experiments conducted, the convective motion shows considerable variation in both structure and time scale. We find that new finger pairs form continuously within a finger generation zone where complexity increases with Rayleigh number, reaches a peak, and then decreases for highly concentrated solutions. The vertical finger length scale grows linearly in time across the full concentration range. The vertical finger velocity also increases linearly with Rayleigh number, but as the concentrations increase, deviation from linearity and asymmetrical convection occur. The horizontal length scale grows as a power law in time with the exponent constant over most of the range; again, deviations are observed for highly concentrated solutions. The observed deviations at high concentrations are attributed to the increasing nonlinearity in the governing equations as the solutions approach their solubility limits. There, the fluid properties become functions of solute concentration and vary significantly within the experimental fields suppressing structural complexity, imparting asymmetry to the convective motion, and influencing emergent vertical and horizontal length scales and their growth. C1 Sandia Natl Labs, Flow Visualizat & Proc Lab, Albuquerque, NM 87185 USA. RP Pringle, SE (reprint author), Sandia Natl Labs, Flow Visualizat & Proc Lab, POB 5800, Albuquerque, NM 87185 USA. NR 33 TC 15 Z9 15 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4221 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD JUL 10 PY 2002 VL 462 BP 161 EP 183 DI 10.1017/S0022112002008522 PG 23 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 583BP UT WOS:000177385900007 ER PT J AU Goodman, J Ji, HT AF Goodman, J Ji, HT TI Magnetorotational instability of dissipative Couette flow SO JOURNAL OF FLUID MECHANICS LA English DT Article ID MAGNETIZED ACCRETION DISKS; LOCAL SHEAR INSTABILITY; MAGNETOHYDRODYNAMIC SIMULATIONS; LINEAR-ANALYSIS; STABILITY; TURBULENCE; FIELD; TRANSPORT; ANNULUS; DYNAMO AB Axisymmetric stability of viscous resistive magnetized Couette flow is re-examined, with the emphasis on flows that would be hydrodynamically stable according to Rayleigh's criterion: opposing gradients of angular velocity and specific angular momentum. In this regime, magnetorotational instabilities (MRI) may occur. Previous work has focused on the Rayleigh-unstable regime. To prepare for an experimental study of MRI, which is of intense astrophysical interest, we solve for global linear modes in a wide gap with realistic dissipation coefficients. Exchange of stability appears to occur through marginal modes. Velocity eigenfunctions of marginal modes are nearly singular at conducting boundaries, but magnetic eigenfunctions are smooth and obey a fourth-order differential equation in the inviscid limit. The viscous marginal system is of tenth order; an eighth-order approximation previously used for Rayleigh-unstable modes does not permit MRI. Peak growth rates are insensitive to boundary conditions. They are predicted with surprising accuracy by WKB methods even for the largest-scale mode. We conclude that MRI is achievable under plausible experimental conditions using easy-to-handle liquid metals such as gallium. C1 Princeton Univ Observ, Princeton, NJ 08544 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Goodman, J (reprint author), Princeton Univ Observ, Peyton Hall, Princeton, NJ 08544 USA. NR 38 TC 65 Z9 66 U1 1 U2 4 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4221 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD JUL 10 PY 2002 VL 462 BP 365 EP 382 DI 10.1017/S0022112002008704 PG 18 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 583BP UT WOS:000177385900015 ER PT J AU Munshi, P Main, AD Linehan, JC Tai, CC Jessop, PG AF Munshi, P Main, AD Linehan, JC Tai, CC Jessop, PG TI Hydrogenation of carbon dioxide catalyzed by ruthenium trimethylphosphine complexes: The accelerating effect of certain alcohols and amines SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FORMIC-ACID; HOMOGENEOUS CATALYSIS; DIHYDROGEN COMPLEXES; CARBOXYLIC-ACIDS; PROTON-TRANSFER; CO2; BONDS; EQUILIBRIUM; WATER; LIGANDS AB A trace amount of alcohol cocatalyst and a stoichiometric amount of base are required during the hydrogenation Of CO2 to formic acid catalyzed by ruthenium trimethylphosphine complexes. Variation of the choice of alcohol and base causes wide variation in the rate of reaction. Acidic, nonbulky alcohols and triflic acid increase the rate of hydrogenation an order of magnitude above that which can be obtained with traditionally used methanol or water, Similarly, use of DBU rather than NEt3 increases the rate of reaction by an order of magnitude, Turnover frequencies up to 95 000 h(-1) have now been obtained, and even higher rates should be possible using the cocatalyst and amine combinations identified herein. Preliminary in situ NMR spectroscopic observations are described, and the possible roles of the alcohol and base are discussed. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Pacific NW Natl Lab, Fundamental Sci Div, Richland, WA 99352 USA. RP Jessop, PG (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. NR 76 TC 187 Z9 193 U1 8 U2 79 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 JUL 10 PY 2002 VL 124 IS 27 BP 7963 EP 7971 DI 10.1021/ja0167856 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 569QA UT WOS:000176612400027 PM 12095340 ER PT J AU Mullins, DR Zhang, KZ AF Mullins, DR Zhang, KZ TI Metal-support interactions between Pt and thin film cerium oxide SO SURFACE SCIENCE LA English DT Article DE carbon monoxide; platinum; cerium; chemisorption ID OXYGEN MIGRATION; CARBON-MONOXIDE; SINGLE-CRYSTAL; CO ADSORPTION; CATALYSTS; PT(111); OXIDATION; SURFACES; NO; RH AB The interaction between Pt and reduced or oxidized cerium oxide (CeOX) has been studied by CO TPD and core-level SXPS. Reduced CeOX strongly modifies the chemisorption of CO on the supported Pt. Two different modifications are evident depending on annealing temperature, If the sample is annealed to greater than 800 K, the amount of CO that adsorbs on the Pt at 150 K is dramatically reduced. In addition, annealing at elevated temperatures decreases the Pt XPS intensity significantly. These results suggest that, similar to Pt on reduced TiOX, the Pt is covered by the reduced CeOX at elevated temperatures. If freshly deposited Pt is annealed to 700 K or less before CO is adsorbed at 150 K, there is no decrease in the amount of CO that adsorbs. However, the CO desorption temperature is shifted to a much lower temperature compared to CO adsorbed on a Pt single crystal. This shift in the CO desorption temperature is ascribed to a weakening of the CO-Pt bond that results from an electronic interaction between the Pt and the reduced ceria. The behavior of Pt on CeOX is compared to the very different interaction between Rh and CeOX. The CO-Rh bond is strengthened on CeOX compared to Rh single crystals and there is an increase in the CO dissociation activity. Rh also shows no evidence of encapsulation when annealed to higher temperatures. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Oak Ridge Natl Lab, POB 2008,MS 6201, Oak Ridge, TN 37831 USA. EM mullinsdr@ornl.gov NR 31 TC 74 Z9 75 U1 6 U2 52 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 JUL 10 PY 2002 VL 513 IS 1 BP 163 EP 173 AR PII S0039-6028(02)01704-1 DI 10.1016/S0039-6028(02)01704-1 PG 11 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 572BA UT WOS:000176752600019 ER PT J AU Song, JM Milligan, JR Sutherland, BM AF Song, JM Milligan, JR Sutherland, BM TI Bistranded oxidized purine damage clusters: Induced in DNA by long-wavelength ultraviolet (290-400 nm) radiation? SO BIOCHEMISTRY LA English DT Article ID ESCHERICHIA-COLI FPG; CYCLOBUTYL PYRIMIDINE DIMERS; BASE-EXCISION-REPAIR; DOUBLE-STRANDED DNA; SUBSTRATE-SPECIFICITY; IONIZING-RADIATION; CHEMICAL CARCINOGENS; OXIDATIVE DAMAGE; ENDONUCLEASE-III; SENSITIVE SITES AB Bistranded clustered DNA damages involving oxidized bases, abasic sites, and strand breaks are produced by ionizing radiation and radiomimetic drugs, but it was not known whether they can be formed by other agents, e.g., nonionizing radiation. UV radiation produces clusters of cyclobutyl pyrimidine dimers, photoproducts that occur individually in high yield. Since long-wavelength UV (290-400 nm) radiation induces oxidized bases, abasic sites, and strand breaks at low yields, we tested whether it also produces clusters containing these lesions. We exposed supercoiled pUC18 DNA to UV radiation with wavelengths of > 290 nm (UVB plus UVA radiation), and assessed the induction of bistranded clustered oxidized purine and abasic clusters, as recognized by Escherichia coli Fpg protein and E. coli Nfo protein (endonuclease IV), respectively, as well as double-strand breaks. These three classes of bistranded clusters were detected, albeit at very low yields (37 Fpg-OxyPurine clusters Gbp(-1) kJ(-1) m(2), 8.1 double-strand breaks Gbp(-1) kJ(-1) m(2), and 3.4 Nfo-abasic clusters Gbp(-1) kJ(-1) m(2)). Thus, these bistranded OxyPurine clusters, abasic clusters, and double-strand breaks are not uniquely induced by ionizing radiation and radiomimetic drugs, but their level of production by UVB and UVA radiation is negligible compared to the levels of frequent photoproducts such as pyrimidine dimers. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Calif San Diego, Dept Radiol, La Jolla, CA 92093 USA. RP Sutherland, BM (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM bms@bnl.gov FU NCI NIH HHS [R01 CA 86897] NR 56 TC 18 Z9 18 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD JUL 9 PY 2002 VL 41 IS 27 BP 8683 EP 8688 DI 10.1021/bi020137x PG 6 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 570TM UT WOS:000176674100018 PM 12093286 ER PT J AU Mugele, F Becker, T Klingner, A Salmeron, M AF Mugele, F Becker, T Klingner, A Salmeron, M TI Two-dimensional observation of drainage and layering transitions in confined liquids SO COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS LA English DT Article; Proceedings Paper CT International Workshop on Nanocapillarity: Wetting of Heterogenous Surface and Porous Solid CY JUN 25-27, 2001 CL PRINCETON, NEW JERSEY DE surface forces apparatus; thin liquid films; layering transition; drainage; elastohydrodynamics ID SURFACE FORCES; SQUEEZE-OUT; THIN-FILMS; DYNAMICS AB We used a surface forces apparatus (SFA) to investigate the drainage of thin films of undecanol from a pore consisting of two atomically smooth mica sheets. Time-resolved images of the contact area during drainage show an initial elastohydrodynamic deformation of the substrates. In the late stage, the expulsion of a molecularly thin layer of alcohol is imaged in two dimensions. We analyze the dynamics of the expulsion process and discuss the physical mechanisms in terms of a model that includes the hydrodynamic flow in the two-dimensional liquid layer and the elastic properties of the substrates. We also discuss the optical resolution required to observe layering transitions in two dimensions and present a new design of a SFA optimized for these purposes. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Ulm, Abt Angew Phys, D-89081 Ulm, Germany. Lawrence Berkeley Lab, Mat Sci Dept, Berkeley, CA 94720 USA. RP Mugele, F (reprint author), Univ Ulm, Abt Angew Phys, Albert Einstein Allee 11, D-89081 Ulm, Germany. RI Becker, Thomas/I-7779-2012; Mugele, Frieder/A-5225-2017; OI Becker, Thomas/0000-0002-4117-8249; Mugele, Frieder/0000-0003-3824-3617; Klingner, Anke/0000-0002-2426-433X NR 22 TC 11 Z9 11 U1 0 U2 3 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 JUL 9 PY 2002 VL 206 IS 1-3 SI SI BP 105 EP 113 AR PII S0927-7757(02)00083-3 DI 10.1016/S0927-7757(02)00083-3 PG 9 WC Chemistry, Physical SC Chemistry GA 571NY UT WOS:000176724500010 ER PT J AU Huber, P Shpyrko, OG Pershan, PS Tostmann, H DiMasi, E Ocko, BM Deutsch, M AF Huber, P Shpyrko, OG Pershan, PS Tostmann, H DiMasi, E Ocko, BM Deutsch, M TI Wetting behavior at the free surface of a liquid gallium-bismuth alloy: an X-ray reflectivity study close to the bulk monotectic point SO COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS LA English DT Article; Proceedings Paper CT International Workshop on Nanocapillarity: Wetting of Heterogenous Surface and Porous Solid CY JUN 25-27, 2001 CL PRINCETON, NEW JERSEY DE wetting; surface; liquid metals; gallium; bismuth; X-ray reflectivity ID GA-BI ALLOYS; VAPOR INTERFACE; TRANSITIONS; ADSORPTION AB We present X-ray reflectivity measurements from the free surface of a liquid gallium-bismuth alloy (Ga-Bi) in the temperature range close to the bulk monotectic temperature T-mono = 222 degreesC. Our measurements indicate a continuous formation of a thick wetting film at the free surface of the binary system driven by the first order transition in the bulk at the monotectic point. We show that the behavior observed is that of a complete wetting at a tetra point of solid-liquid-liquid-vapor coexistence. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Univ Florida, Dept Chem, Gainesville, FL 32611 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. RP Huber, P (reprint author), Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. RI Huber, Patrick/B-7690-2008; Shpyrko, Oleg/J-3970-2012 OI Huber, Patrick/0000-0002-2126-9100; NR 24 TC 5 Z9 5 U1 1 U2 3 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 JUL 9 PY 2002 VL 206 IS 1-3 SI SI BP 515 EP 520 AR PII S0927-7757(02)00056-0 DI 10.1016/S0927-7757(02)00056-0 PG 6 WC Chemistry, Physical SC Chemistry GA 571NY UT WOS:000176724500042 ER PT J AU Smay, JE Cesarano, J Lewis, JA AF Smay, JE Cesarano, J Lewis, JA TI Colloidal inks for directed assembly of 3-D periodic structures SO LANGMUIR LA English DT Article ID ALUMINA SUSPENSIONS; ELASTIC PROPERTIES; SCALING BEHAVIOR; RHEOLOGY; FLOW; COMPOSITES; SLIP; FABRICATION; COMPONENTS; PARTICLES AB Mesoscale periodic structures have been fabricated via directed assembly of colloidal inks. Concentrated colloidal gels with tailored viscoelastic properties were designed to form self-supporting features. The inks were deposited in a layer-by-layer sequence to directly write the desired 3-D pattern. Periodic structures with spanning features that vary between similar to100 mum and 1 mm were assembled. Shear rate profiles were calculated on the basis of the measured rheological properties of the inks under slip and no-slip boundary conditions during flow through a cylindrical deposition nozzle. Deflection measurements of spanning elements were used to probe the relationship between gel strength, deposition speed, and shear rate profiles in the nozzle. These observations revealed that the ink adopted a rigid (gel) core-fluid shell architecture during assembly, which simultaneously facilitated bonding and shape retention of the deposited elements. C1 Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Lewis, JA (reprint author), Univ Illinois, Dept Mat Sci & Engn, 1304 W Green St, Urbana, IL 61801 USA. NR 43 TC 197 Z9 198 U1 10 U2 79 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 9 PY 2002 VL 18 IS 14 BP 5429 EP 5437 AR UNSP LA0257135 DI 10.1021/la0257135 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 569XB UT WOS:000176627000018 ER PT J AU Shi, B Meng, WJ Rehn, LE Baldo, PM AF Shi, B Meng, WJ Rehn, LE Baldo, PM TI Intrinsic stress development in Ti-C : H ceramic nanocomposite coatings SO APPLIED PHYSICS LETTERS LA English DT Article ID HYDROCARBON; PERFORMANCE; FILMS AB The development of intrinsic stresses within titanium-containing hydrocarbon (Ti-C:H) nanocomposite coatings was monitored during growth by in situ substrate curvature measurements using a multibeam optical sensing technique. Stress as a function of coating thickness was measured in a wide range of specimens, from nearly pure amorphous hydrocarbon (a-C:H) to nearly pure titanium carbide (TiC). The intrinsic stress within the nanocomposite coating was found to vary significantly in magnitude, and to depend systematically on the Ti composition. The observed stress variation as a function of the Ti composition correlates well with a previously reported percolation-type transition in the coating microstructure. (C) 2002 American Institute of Physics. C1 Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Shi, B (reprint author), Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA. NR 13 TC 25 Z9 25 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 8 PY 2002 VL 81 IS 2 BP 352 EP 354 DI 10.1063/1.1492851 PG 3 WC Physics, Applied SC Physics GA 567LZ UT WOS:000176487400056 ER PT J AU Subramanian, A Oden, PI Kennel, SJ Jacobson, KB Warmack, RJ Thundat, T Doktycz, MJ AF Subramanian, A Oden, PI Kennel, SJ Jacobson, KB Warmack, RJ Thundat, T Doktycz, MJ TI Glucose biosensing using an enzyme-coated microcantilever SO APPLIED PHYSICS LETTERS LA English DT Article ID CANTILEVERS; SENSORS AB A microcantilever-based biosensor is described. The enzyme glucose oxidase was immobilized on a micromachined silicon cantilever containing a gold coating, such as those used for atomic force microscopy. Specific, quantifiable deflection of the derivatized cantilevers was observed in the presence of the appropriate analyte. An analysis of the reaction energetics and the expected thermal response of the cantilever indicates that cantilever deflection is not simply a result of reaction-generated heat. This deflection appears to result from surface induced stresses. The combination of a highly specific enzyme and the microcantilever platform provides a unique approach for quantifying enzyme substrates without the complication of sample labeling. (C) 2002 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. RP Doktycz, MJ (reprint author), Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. RI Doktycz, Mitchel/A-7499-2011 OI Doktycz, Mitchel/0000-0003-4856-8343 NR 16 TC 70 Z9 70 U1 2 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 JUL 8 PY 2002 VL 81 IS 2 BP 385 EP 387 DI 10.1063/1.1492308 PG 3 WC Physics, Applied SC Physics GA 567LZ UT WOS:000176487400067 ER PT J AU Walls, JD Lim, KH Logan, JW Urban, JT Jerschow, A Pines, A AF Walls, JD Lim, KH Logan, JW Urban, JT Jerschow, A Pines, A TI Theoretical investigations of I=5/2 quadrupolar spin dynamics in the sudden-passage regime SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; SOLID-STATE NMR; HIGH-RESOLUTION NMR; QUANTUM MAS NMR; FLOQUET THEORY; CROSS-POLARIZATION; SILICATE-GLASSES; OXYGEN SITES; ANGLE; SPECTROSCOPY AB The theoretical approach utilizing bimodal Floquet theory in the quadrupolar/central-transition interaction frame, presented in an earlier article [J. D. Walls, K. H. Lim, and A. Pines, J. Chem. Phys. 116, 79 (2002)], is extended to describe the more complicated spin dynamics of I=5/2 spin systems. Rotary resonance effects occur when the strength of the radio-frequency irradiation, omega(1), matches the sample spinning speed, omega(r), at the conditions omega(1) = 2/3nomega(r) (n integral). At these conditions, conversions of both triple-quantum and five-quantum coherences to central-quantum coherence are observed. Between rotary resonance conditions [ 2n/3omega(r)<ω(1)<[2(n+1)]/3ω(r)], five-quantum as well as triple-quantum coherences can be created from equilibrium z-magnetization via a nutation mechanism. In addition, effective transfer between five-quantum and triple-quantum coherences also is observed in between rotary resonance conditions. These effects have been investigated theoretically and verified by both numerical calculations and experimental results. (C) 2002 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Walls, JD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. NR 44 TC 3 Z9 3 U1 2 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 JUL 8 PY 2002 VL 117 IS 2 BP 518 EP 532 DI 10.1063/1.1483256 PG 15 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 566JR UT WOS:000176424800003 ER PT J AU Robertson, SH Wardlaw, DM Wagner, AF AF Robertson, SH Wardlaw, DM Wagner, AF TI Flexible transition state theory for a variable reaction coordinate: Derivation of canonical and microcanonical forms with angular momentum conservation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RATE CONSTANTS; DISSOCIATIONS; FRAMEWORK; LOOSENESS; NO2 AB This paper extends work previously presented [J. Chem. Phys. 113, 2648 (2000)] to establish a rigorous expression for the angular momentum resolved microcanonical reactive flux. A kinetic energy expression in terms of the angular momentum, based on the coordinate system described in the above reference, is derived. Analytic integration over momenta conjugate to the coordinates that describe the relative orientation of the fragments is effected at the canonical level. The Laplace transform relation between canonical and microcanonical coefficients is then exploited to yield the angular momentum dependent microcanonical reactive flux. Evaluation of the resulting rate expression involves a numerical integral whose dimension, in most cases, is the same as the integrals in corresponding canonical and standard microcanonical forms. (C) 2002 American Institute of Physics. C1 Accelrys Inc, Cambridge CB4 0WN, England. Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada. Argonne Natl Lab, Argonne, IL 60439 USA. RP Robertson, SH (reprint author), Accelrys Inc, 334 Cambridge Sci Pk, Cambridge CB4 0WN, England. NR 19 TC 13 Z9 13 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 8 PY 2002 VL 117 IS 2 BP 593 EP 605 DI 10.1063/1.1480271 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 566JR UT WOS:000176424800009 ER PT J AU Yu, HG Sears, TJ AF Yu, HG Sears, TJ TI Vibrational energy levels of methyl cation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID GROUND-STATE HO3; INFRARED-SPECTRUM; SURFACE; SPECTROSCOPY; CH3+; CONVERGENCE AB The potential energy surface for methyl cation is calculated using an extrapolated full coupled-cluster/complete basis set (FCC/CBS) theory. The equilibrium C-H bond length is obtained as 1.0884 Angstrom. The vibrational energy levels of both CH3+ and CD3+ cations are computed using a variational method, based on the accurate potential energy surface. The fundamental frequencies in cm-1 are predicted to be 2942.27 (v(1)), 1377.82 (v(2)), 3108.29 (v(3)), and 1387.01 (v(4)) for CH3+, and 2082.99 (v(1)), 1070.31 (v(2)), 2339.99 (v(3)), and 1015.70 (v(4)) for CD3+, respectively. (C) 2002 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RI Sears, Trevor/B-5990-2013; Yu, Hua-Gen/N-7339-2015 OI Sears, Trevor/0000-0002-5559-0154; NR 22 TC 15 Z9 15 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 JUL 8 PY 2002 VL 117 IS 2 BP 666 EP 669 DI 10.1063/1.1483852 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 566JR UT WOS:000176424800016 ER PT J AU Margetis, D Kaxiras, E Elstner, M Frauenheim, T Manaa, MR AF Margetis, D Kaxiras, E Elstner, M Frauenheim, T Manaa, MR TI Electronic structure of solid nitromethane: Effects of high pressure and molecular vacancies SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL-THEORY; SHEAR-INDUCED METALLIZATION; AB-INITIO SIMULATION; TIGHT-BINDING METHOD; HOT-SPOT FORMATION; ENERGETIC MATERIALS; SCC-DFTB; CYCLOTRIMETHYLENE TRINITRAMINE; CHEMICAL TRANSFORMATION; EDGE DISLOCATIONS AB The combined effect of pressure and molecular vacancies on the atomic structure and electronic properties of solid nitromethane, a prototypical energetic material, is studied at zero temperature. The self-consistent charge density-functional tight-binding method is applied in order to investigate changes induced in the band gap of this system by uniform and uniaxial strain of up to 70%, corresponding to static pressure in the range of up to 200 GPa. The effects of molecular vacancies with densities ranging from 3% to 25% have also been considered. A surprising finding is that uniaxial compression of about 25-40 GPa along the b lattice vector causes the C-H bond to be highly stretched and leads to proton dissociation. This event also occurs under isotropic compression but at much higher pressure, being indicative of a detonation chemistry which is preferential to the pressure anisotropy. We also find that the band gap, although evidently dependent on the applied strain, crystal anisotropy and vacancy density, is not reduced considerably for electronic excitations to be dominant, in agreement with other recent first-principles studies. (C) 2002 American Institute of Physics. C1 Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. Harvard Univ, Dept Phys, Cambridge, MA 02138 USA. Univ Gesamthsch Paderborn, Fachbereich Phys, D-33098 Paderborn, Germany. Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94551 USA. German Canc Res Ctr, Dept Mol Biophys, D-69120 Heidelberg, Germany. RP Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. RI Elstner, Marcus/H-3463-2013; Frauenheim, Thomas/C-5653-2015 OI Frauenheim, Thomas/0000-0002-3073-0616 NR 90 TC 72 Z9 74 U1 1 U2 14 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 JUL 8 PY 2002 VL 117 IS 2 BP 788 EP 799 DI 10.1063/1.1466830 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 566JR UT WOS:000176424800029 ER PT J AU Zhang, QX Zheng, J Shevade, A Zhang, LZ Gehrke, SH Heffelfinger, GS Jiang, SY AF Zhang, QX Zheng, J Shevade, A Zhang, LZ Gehrke, SH Heffelfinger, GS Jiang, SY TI Transport diffusion of liquid water and methanol through membranes SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; GRADIENT-DRIVEN DIFFUSION; SELF-ASSEMBLED MONOLAYERS; POROUS ALUMINA MEMBRANES; LENNARD-JONES FLUIDS; MONTE-CARLO; SHAKE ALGORITHM; MIXTURES; SEPARATION; SYSTEMS AB In this work, we carried out dual-control-volume grand canonical molecular dynamics simulations of the transport diffusion of liquid water and methanol to vacuum under a fixed chemical potential gradient through a slit pore consisting of Au(111) surfaces covered by -CH3 or -OH terminated self-assembled monolayers (SAMs). Methanol and water are selected as model fluid molecules because water represents a strongly polar molecule while methanol is intermediate between nonpolar and strongly polar molecules. Surface hydrophobicity is adjusted by varying the terminal group of -CH3 (hydrophobic) or -OH (hydrophilic) of SAMs. We observed for the first time from simulations the convex and concave interfaces of fluids transporting across the slit pores. Results show that the characteristics of the interfaces are determined by the interactions between fluid molecules and surfaces. The objective of this work is to provide a fundamental understanding of how these interactions affect transport diffusion. (C) 2002 American Institute of Physics. C1 Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA. Sandia Natl Labs, Computat Biol & Mat Technol Dept, Albuquerque, NM 87185 USA. RP Jiang, SY (reprint author), Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. RI Gehrke, Stevin/A-5265-2014; Zheng, Jie/B-5057-2013 OI Zheng, Jie/0000-0003-1547-3612 NR 48 TC 37 Z9 39 U1 2 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 8 PY 2002 VL 117 IS 2 BP 808 EP 818 DI 10.1063/1.1483297 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 566JR UT WOS:000176424800031 ER PT J AU Biggs, T Klehe, AK Singleton, J Bakker, D Symington, J Goddard, P Ardavan, A Hayes, W Schlueter, JA Sasaki, T Kurmoo, M AF Biggs, T Klehe, AK Singleton, J Bakker, D Symington, J Goddard, P Ardavan, A Hayes, W Schlueter, JA Sasaki, T Kurmoo, M TI Comparison, of the normal-state properties of kappa-(BEDT-TTF)(2)Cu(NCS)(2) and its deuterated analogue in high magnetic fields and under high hydrostatic pressures SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Letter ID ORGANIC SUPERCONDUCTOR KAPPA-(BEDT-TTF)(2)CUBR; T-C; RAMAN-SCATTERING; C-13 NMR; PHONON; KAPPA-(ET)(2)CU(NCS)(2); TEMPERATURE; KAPPA-(ET)(2)CUBR; MASS; BETA''-(ET)(2)SF5CH2CF2SO3 AB Details of the Fermi-surface topology of deuterated kappa-(BEDT-TTF)(2)Cu(NCS)(2) (where BEDT-TTF equivalent to bis(ethylene-dithio)tetrathiafulvalene) have been measured as a function of pressure, and compared with equivalent measurements. of the undeuterated salt. We find that the superconducting transition temperature is much more dramatically suppressed by increasing pressure in the deuterated salt. It is suggested that this is linked to pressure-induced changes in the Fermi-surface topology, which occur more rapidly in the deuterated salt than in the undeuterated salt as the pressure is raised. Our data suggest that the negative isotope effect observed on deuteration is due to small differences in Fermi-surface topology caused by the isotopic substitution. C1 Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan. IPCMS, F-67037 Strasbourg, France. RP Singleton, J (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. RI Sasaki, Takahiko/F-1231-2010; Goddard, Paul/A-8638-2015 OI Sasaki, Takahiko/0000-0002-0767-5428; Goddard, Paul/0000-0002-0666-5236 NR 42 TC 18 Z9 18 U1 1 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 JUL 8 PY 2002 VL 14 IS 26 BP L495 EP L502 AR PII S0953-8984(02)35147-6 DI 10.1088/0953-8984/14/26/102 PG 8 WC Physics, Condensed Matter SC Physics GA 580EX UT WOS:000177223100002 ER PT J AU Dumitru, A Jalilian-Marian, J AF Dumitru, A Jalilian-Marian, J TI Forward quark jets from protons shattering the color glass condensate SO PHYSICAL REVIEW LETTERS LA English DT Article ID WILSON RENORMALIZATION-GROUP; DEEP-INELASTIC SCATTERING; QUASI-CLASSICAL APPROXIMATION; GLUON DISTRIBUTION-FUNCTIONS; WEIZSACKER-WILLIAMS FIELDS; HEAVY-ION COLLISIONS; FREE GAUGE THEORIES; DRELL-YAN PROCESS; HIGH-DENSITY QCD; LOW X PHYSICS AB We consider the single-inclusive minijet cross section in pA at forward rapidity within the color glass condensate model of high energy collisions. We show that the nucleus appears black to the incident quarks except for very large impact parameters. A markedly flatter p(t) distribution as compared to QCD in the dilute perturbative limit is predicted for transverse momenta about the saturation scale, which could be as large as Q(s)(2)similar or equal to10 GeV2 for a gold nucleus boosted to rapidity similar to10 (as at the BNL-RHIC). C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Dumitru, A (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 49 TC 122 Z9 122 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 JUL 8 PY 2002 VL 89 IS 2 AR 022301 DI 10.1103/PhysRevLett.89.022301 PG 4 WC Physics, Multidisciplinary SC Physics GA 566HK UT WOS:000176420900002 PM 12096988 ER PT J AU Goodrich, RG Maslov, DL Hebard, AF Sarrao, JL Hall, D Fisk, Z AF Goodrich, RG Maslov, DL Hebard, AF Sarrao, JL Hall, D Fisk, Z TI Magnetization in the ultraquantum limit SO PHYSICAL REVIEW LETTERS LA English DT Article ID CERHIN5 AB The magnetization below and far above the quantum limit for small Fermi surface orbits has been measured in the metallic compound LaRhIn5. The magnetization due to a pocket of Fermi surface that comprises less than 1 part in 10(4) of the total Brillouin zone volume, and for which the quantum limit is approximately 7 T, leads to the appearance of an overall sample magnetic moment at fields between 7 and 32 T. This moment arises from diamagnetic currents produced by electrons in the ultraquantum limit. A model calculation of the origin and magnitude of the effect is in excellent agreement with the measured field dependence of the induced magnetization. C1 Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70802 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. RP Goodrich, RG (reprint author), Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70802 USA. NR 9 TC 1 Z9 1 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 JUL 8 PY 2002 VL 89 IS 2 AR 026401 DI 10.1103/PhysRevLett.89.026401 PG 4 WC Physics, Multidisciplinary SC Physics GA 566HK UT WOS:000176420900025 ER PT J AU Reichhardt, C Olson, CJ Hastings, MB AF Reichhardt, C Olson, CJ Hastings, MB TI Rectification and phase locking for particles on symmetric two-dimensional periodic substrates SO PHYSICAL REVIEW LETTERS LA English DT Article ID MICROLITHOGRAPHIC ARRAYS; CHAOTIC TRANSPORT; THERMAL RATCHETS; POLYELECTROLYTES; ELECTROPHORESIS; MACROMOLECULES; LATTICE; MOTION; DNA AB We demonstrate a rectification phenomenon for overdamped particles interacting with a 2D symmetric periodic substrate when driven with a dc and a circular ac drive. As a function of longitudinal dc amplitude, the longitudinal velocity increases in a series of quantized steps distinct from Shapiro steps with transverse recti cation occurring near these transitions. The rectification phenomenon is explained using symmetry arguments and a simple model. C1 Los Alamos Natl Lab, CNLS, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, CNLS, Div Appl Phys, Los Alamos, NM 87545 USA. RP Reichhardt, C (reprint author), Los Alamos Natl Lab, CNLS, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 NR 29 TC 34 Z9 34 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 JUL 8 PY 2002 VL 89 IS 2 AR 024101 DI 10.1103/PhysRevLett.89.024101 PG 4 WC Physics, Multidisciplinary SC Physics GA 566HK UT WOS:000176420900011 PM 12096996 ER PT J AU Rudolph, D Andreoiu, C Fahlander, C Charity, RJ Devlin, M Sarantites, DG Sobotka, LG Balamuth, DP Eberth, J Galindo-Uribarri, A Hausladen, PA Seweryniak, D Steinhardt, T AF Rudolph, D Andreoiu, C Fahlander, C Charity, RJ Devlin, M Sarantites, DG Sobotka, LG Balamuth, DP Eberth, J Galindo-Uribarri, A Hausladen, PA Seweryniak, D Steinhardt, T TI Prompt proton decay scheme of Cu-59 SO PHYSICAL REVIEW LETTERS LA English DT Article ID DEFORMED-NUCLEI; FINE-STRUCTURE; EMITTERS; BAND; GAMMASPHERE; YRAST; NI-58 AB Five prompt proton decay lines have been identified between deformed states in Cu-59 and three spherical states in Ni-58 by means of high-resolution in-beam particle-gammagamma coincidence spectroscopy. The GAMMASPHERE array coupled to dedicated ancillary detectors including four DeltaE-E silicon strip detectors was used to study high-spin states in Cu-59. The multiple discrete proton lines are found to probe the wave functions of states in the decay-out regime of well- and superdeformed states. C1 Lund Univ, Dept Phys, S-22100 Lund, Sweden. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Rudolph, D (reprint author), Lund Univ, Dept Phys, S-22100 Lund, Sweden. RI Rudolph, Dirk/D-4259-2009; Devlin, Matthew/B-5089-2013 OI Rudolph, Dirk/0000-0003-1199-3055; Devlin, Matthew/0000-0002-6948-2154 NR 27 TC 25 Z9 25 U1 1 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 JUL 8 PY 2002 VL 89 IS 2 AR 022501 DI 10.1103/PhysRevLett.89.022501 PG 4 WC Physics, Multidisciplinary SC Physics GA 566HK UT WOS:000176420900003 PM 12096989 ER PT J AU Maltz, JS AF Maltz, JS TI Parsimonious basis selection in exponential spectral analysis SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID INVERSE LAPLACE TRANSFORM; TIME-ACTIVITY BASIS; REGULARIZATION METHOD; NUMERICAL INVERSION; INTEGRAL-EQUATIONS; TRACER AB Sums of decaying real exponentials (SDREs) are frequently used in models of time-varying processes. First-order compartmental models are widely employed to describe mass transit in chemical and biological systems. In these models the evolution of compartment concentration versus time is represented as the convolution of an input function with an SDRE. In exponential spectral analysis (ESA) the nonlinear problem of estimating the SDRE rate constants is replaced by the linear estimation of the coefficients of a preselected set of exponential basis functions (EBFs). This work addresses the problem of selecting the number of EBFs and the rate constant of each basis element. Basis dimension is established via model selection, in which approximation error and parameter redundancy are the criteria. The latter is estimated via simulation of the fitted model over multiple noise realizations. A constrained Cramer-Rao lower bound is derived for ESA parameters. The resulting parsimonious ESA algorithm (PESA) ameliorates the inherent problem of non-uniqueness in ESA parameters. Consequently, sets of time series may be compared in a statistically meaningfully way in terms of physically or physiologically significant parameters. PESA is applied to compare the retention of two radiotracers in the artificially perfused rabbit heart. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Nucl Med & Funct Imaging, Berkeley, CA 94720 USA. RP Maltz, JS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Nucl Med & Funct Imaging, 1 Cyclotron Rd,Mailstop 55-121, Berkeley, CA 94720 USA. FU NHLBI NIH HHS [P01-HL25840, R01-HL50663, HL-07367] NR 30 TC 6 Z9 6 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD JUL 7 PY 2002 VL 47 IS 13 BP 2341 EP 2365 AR PII S0031-9155(02)35108-X DI 10.1088/0031-9155/47/13/311 PG 25 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 578FM UT WOS:000177106800011 PM 12164591 ER PT J AU Feldman, WC Boynton, WV Tokar, RL Prettyman, TH Gasnault, O Squyres, SW Elphic, RC Lawrence, DJ Lawson, SL Maurice, S McKinney, GW Moore, KR Reedy, RC AF Feldman, WC Boynton, WV Tokar, RL Prettyman, TH Gasnault, O Squyres, SW Elphic, RC Lawrence, DJ Lawson, SL Maurice, S McKinney, GW Moore, KR Reedy, RC TI Global distribution of neutrons from Mars: Results from Mars Odyssey SO SCIENCE LA English DT Article ID GROUND ICE; EPITHERMAL NEUTRONS; LUNAR PROSPECTOR; TEMPERATURES; STABILITY; SURFACE; MOON AB Global distributions of thermal, epithermal, and fast neutron fluxes have been mapped during late southern summer/northern winter using the Mars Odyssey Neutron Spectrometer. These fluxes are selectively sensitive to the vertical and lateral spatial distributions of H and CO2 in the uppermost meter of the martian surface. Poleward of +/-60degrees latitude is terrain rich in hydrogen, probably H2O ice buried beneath tens of centimeter-thick hydrogen-poor soil. The central portion of the north polar cap is covered by a thick CO2 layer, as is the residual south polar cap. Portions of the low to middle latitudes indicate subsurface deposits of chemically and/or physically bound H2O and/or OH. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Cornell Univ, Ctr Radiophys & Space Res, Ithaca, NY 14853 USA. Univ Arizona, Lunar Planetary Lab, Tucson, AZ 85721 USA. Observ Midi Pyrenees, F-31400 Toulouse, France. RP Feldman, WC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Gasnault, Olivier/F-4327-2010; Lawrence, David/E-7463-2015; OI Gasnault, Olivier/0000-0002-6979-9012; Lawrence, David/0000-0002-7696-6667; Reedy, Robert/0000-0002-2189-1303; Prettyman, Thomas/0000-0003-0072-2831 NR 23 TC 346 Z9 354 U1 5 U2 17 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 JUL 5 PY 2002 VL 297 IS 5578 BP 75 EP 78 DI 10.1126/science.1073541 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 571HB UT WOS:000176711000034 PM 12040088 ER PT J AU Boynton, WV Feldman, WC Squyres, SW Prettyman, TH Bruckner, J Evans, LG Reedy, RC Starr, R Arnold, JR Drake, DM Englert, PAJ Metzger, AE Mitrofanov, I Trombka, JI d'Uston, C Wanke, H Gasnault, O Hamara, DK Janes, DM Marcialis, RL Maurice, S Mikheeva, I Taylor, GJ Tokar, R Shinohara, C AF Boynton, WV Feldman, WC Squyres, SW Prettyman, TH Bruckner, J Evans, LG Reedy, RC Starr, R Arnold, JR Drake, DM Englert, PAJ Metzger, AE Mitrofanov, I Trombka, JI d'Uston, C Wanke, H Gasnault, O Hamara, DK Janes, DM Marcialis, RL Maurice, S Mikheeva, I Taylor, GJ Tokar, R Shinohara, C TI Distribution of hydrogen in the near surface of Mars: Evidence for subsurface ice deposits SO SCIENCE LA English DT Article ID GROUND ICE; WATER AB Using the Gamma-Ray Spectrometer on the Mars Odyssey, we have identified two regions near the poles that are enriched in hydrogen. The data indicate the presence of a subsurface layer enriched in hydrogen overlain by a hydrogen-poor layer. The thickness of the upper layer decreases with decreasing distance to the pole, ranging from a column density of about 150 grams per square centimeter at -42degrees latitude to about 40 grams per square centimeter at -77degrees. The hydrogen-rich regions correlate with regions of predicted ice stability. We suggest that the host of the hydrogen in the subsurface layer is ice, which constitutes 35 +/- 15% of the layer by weight. C1 Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Cornell Univ, Ctr Radiophys & Space Res, Ithaca, NY 14853 USA. Max Planck Inst Chem, D-55020 Mainz, Germany. Comp Sci Corp, Sci Programs, Lanham, MD 20706 USA. Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. Catholic Univ Amer, Dept Phys, Washington, DC 20064 USA. Univ Calif San Diego, Dept Chem, La Jolla, CA 92093 USA. TechSource, Santa Fe, NM 87505 USA. Victoria Univ Wellington, Wellington, New Zealand. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Russian Acad Sci, Inst Space Res, Moscow, Russia. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Ctr Etud Spatiale Rayonnements, Toulouse, France. Observ Midi Pyrenees, F-31400 Toulouse, France. Univ Hawaii, Honolulu, HI 96822 USA. RP Boynton, WV (reprint author), Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. RI Gasnault, Olivier/F-4327-2010; OI Gasnault, Olivier/0000-0002-6979-9012; Reedy, Robert/0000-0002-2189-1303; Prettyman, Thomas/0000-0003-0072-2831 NR 21 TC 570 Z9 583 U1 11 U2 58 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 JUL 5 PY 2002 VL 297 IS 5578 BP 81 EP 85 DI 10.1126/science.1073722 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 571HB UT WOS:000176711000036 PM 12040090 ER PT J AU Haaland, DM Melgaard, DK AF Haaland, DM Melgaard, DK TI New augmented classical least squares methods for improved quantitative spectral analyses SO VIBRATIONAL SPECTROSCOPY LA English DT Article; Proceedings Paper CT 1st International Conference on Advanced Vibrational Spectroscopy CY AUG 19-24, 2001 CL TURKU, FINLAND DE augmented classical least squares; prediction augmented classical least squares; partial least squares; transfer of calibration; near-infrared spectra ID MULTICOMPONENT SAMPLES; CALIBRATION METHODS AB A series of new augmented classical least squares (ACLS) methods have been developed that show considerable promise for improving multivariate spectral calibrations. The normal limitations of classical least squares (CLS) methods are largely overcome by using information derived from the spectral residuals during the CLS calibration in the development of the new ACLS models. The resulting models are able to provide prediction ability comparable to that of partial least squares (PLS) even when only concentration information about a single analyte is known in the calibration data set. By combining ACLS calibration with our recently described prediction augmented CLS (PACLS) method, we are able to rapidly update spectral calibration models during prediction for the presence of unmodeled chemical components in the unknown samples, system drift, or changes in spectrometers. With PACLS updating, prediction ability is often better than possible with PLS. One of the new calibration augmented CLS methods is combined with PACLS to demonstrate the ability of the method to transfer multivariate calibrations between near-infrared (NIR) spectrometers on a system of multi-component organic solvents. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Haaland, DM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 18 TC 34 Z9 37 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0924-2031 J9 VIB SPECTROSC JI Vib. Spectrosc. PD JUL 5 PY 2002 VL 29 IS 1-2 BP 171 EP 175 AR PII S0924-2031(01)00199-0 DI 10.1016/S0924-2031(01)00199-0 PG 5 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 572BH UT WOS:000176753300025 ER PT J AU Clawson, JS Strohmeier, M Stueber, D Orendt, AM Barich, DH Asay, B Hiskey, MA Pugmire, RJ Grant, DM AF Clawson, JS Strohmeier, M Stueber, D Orendt, AM Barich, DH Asay, B Hiskey, MA Pugmire, RJ Grant, DM TI N-15 chemical shift tensors of beta-HMX SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID LOW-TEMPERATURE THERMOLYSIS; POINT-CHARGE ARRAYS; SHIELDING TENSORS; ARRHENIUS PARAMETERS; CLUSTER CALCULATIONS; NMR-SPECTROSCOPY; CRYSTAL FIELDS; C-13; NITRAMINES; APPROXIMATION AB The N-15 principal values and orientations of the chemical shift tensors of beta-HMX are obtained by means of a FIREMAT experiment. A fitting routine using first-order perturbation theory to account for the residual dipolar coupling from neighboring N-14 nuclei, responsible for broadening and/or splitting of the N-15 resonances, was used to obtain the information from the experimental data. Intermolecular electrostatic interactions are incorporated into nitrogen chemical shielding calculations using several theoretical molecular models. The embedded ion method, a charge model, produced charge densities that improved the correlation between experimental chemical shifts and calculated chemical shieldings by 60% over single-molecule calculations, thus bringing the RMS within anticipated experimental error. The improvements made by the embedded ion method also provided the means to assign the nitrate resonances. C1 Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. Univ Utah, Ctr High Performance Comp, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, High Explos Phys Team, Los Alamos, NM 87545 USA. RP Grant, DM (reprint author), Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. NR 48 TC 13 Z9 13 U1 1 U2 4 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 JUL 4 PY 2002 VL 106 IS 26 BP 6352 EP 6357 DI 10.1021/jp013679h PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569GJ UT WOS:000176592700018 ER PT J AU Allendorf, MD Melius, CF AF Allendorf, MD Melius, CF TI BAC-MP4 predictions of thermochemistry for gas-phase compounds in the Si-H-O-Cl system SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MOLECULAR-ORBITAL METHODS; SILYLENE-OXYGEN ADDUCT; AB-INITIO; THERMAL-DECOMPOSITION; CHEMICAL-REACTIONS; SHOCK-TUBE; N-H; SICL4; KINETICS; HEATS AB A self-consistent set of thermochemical parameters for 39 molecules in the Si-H-O-Cl system have been calculated using the BAC-MP4 method. The BAC-MP4 method combines ab initio electronic structure calculations with empirical corrections to obtain accurate heats of formation. Both stable and radical species are included in the study, as well as several complexes formed by reaction with gas-phase water. Although there are almost no experimental data available for comparison, trends within homologous series and calculated bond dissociation energies are consistent with previous BAC-MP4 predictions for silicon compounds. Polynomial fits of the predicted thermodynamic data over the 300-3000 K temperature range are included in the Supporting Information. The thermodynamic data are used to evaluate the energetics of reactions that may be involved in the oxidation and hydrolysis of silicon tetrachloride, in particular the reactions of SiCl3 and SiCl2 with O-2 and H2O. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Allendorf, MD (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. NR 51 TC 12 Z9 12 U1 0 U2 6 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 JUL 4 PY 2002 VL 106 IS 26 BP 6370 EP 6380 DI 10.1021/jp020206h PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 569GJ UT WOS:000176592700020 ER PT J AU Higgins, SR Boram, LH Eggleston, CN Coles, BA Compton, RG Knauss, KG AF Higgins, SR Boram, LH Eggleston, CN Coles, BA Compton, RG Knauss, KG TI Dissolution kinetics, step and surface morphology of magnesite (104) surfaces in acidic aqueous solution at 60 degrees C by atomic force microscopy under defined hydrodynamic conditions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CARBONATES SOLUTION INTERFACE; CALCITE DISSOLUTION; TEMPERATURE-DEPENDENCE; SALICYLIC-ACID; KINK DYNAMICS; MECHANISM; GROWTH; BARIUM-SULFATE(001); SPECIATION AB Dissolution of the (104) surface of magnesite (MgCO3) was studied as a function of bulk solution pH over the range 2.0 < pH < 5.0 at 60 degreesC using atomic force microscopy (AFM) with well-defined hydrodynamics. The experimental data and corresponding solution of the convective-diffusion equation for the system revealed that magnesite dissolution is kinetically inhibited by a factor of 10(2)-10(4) relative to the proton mass transport limit. The dissolution flux was found to vary nonlinearly with the surface concentration of H+, [H+](y=0), and that inclusion of the homogeneous chemical kinetics of H+ consumption in the system to form carbonic acid was unnecessary. The nonlinear behavior was best represented by a Langmuir isotherm for proton adsorption in which the adsorbed entity consists of a surface complex containing more than one proton. The apparent surface kinetic detachment coefficient. K-n for this surface complex was determined to be 5 x 10(-12) Mol cm(-2) s(-1) but the determination of a particular coordination number, n, of this detachment complex was not possible based on the experimental data. The velocity of dissolving + steps was found to be constant, within error, over the entire experimental pH range, whereas the dissolution flux varied by over an order of magnitude in this same range. The AFM images revealed a dramatic increase in step density associated with a large increase in dissolution flux that was attributed to the protonation of terrace-adsorbed carbonate sites (i.e., adions). We propose that the intrinsic protonation constant, K-int differs for adions, kink, step, and terrace sites based on the AFM observations Of Surface and step morphology as a function of pH. C1 Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. Univ Oxford, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England. Lawrence Livermore Natl Lab, Geosci & Environm Technol Div, Livermore, CA 94550 USA. RP Higgins, SR (reprint author), Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. RI knauss, kevin/K-2827-2012 NR 38 TC 15 Z9 15 U1 1 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 JUL 4 PY 2002 VL 106 IS 26 BP 6696 EP 6705 DI 10.1021/jp014045d PG 10 WC Chemistry, Physical SC Chemistry GA 569GL UT WOS:000176592900013 ER PT J AU Zazubovich, V Jankowiak, R Small, GJ AF Zazubovich, V Jankowiak, R Small, GJ TI A high-pressure spectral hole burning study of correlation between energy disorder and excitonic couplings in the LH 2 complex from Rhodopseudomonas acidophila SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LIGHT-HARVESTING COMPLEX; ANTENNA COMPLEX; RHODOBACTER-SPHAEROIDES; PURPLE BACTERIA; HORSERADISH-PEROXIDASE; ABSORPTION-SPECTRUM; PHOTOSYNTHETIC UNIT; PROTEIN COMPLEXES; LEVEL STRUCTURE; CYCLIC ARRAYS AB Low-temperature (5 K) nonphotochemical hole burning and absorption spectroscopies were used to study the effects of high pressure (up to 1015 MPa) on excitonic coupling energies and energy disorder in the light-harvesting complex 2 (LH 2) from Rhodopseudomonas Acidophila (strain 10050). The pressure dependences of the widths and positions of the B850 and B870 (lowest exciton level of the B850 ring) bands were determined, The results show, for the first time, that these parameters are linearly correlated (common scaling law), consistent with recent theoretical predictions (Jang, et al. J. Phys. Chem. B 2001, 105, 6655). Excitonic calculations for the B850 ring of bacteriochlorophyll a molecules were performed in the nearest dimer-dimer coupling approximation (Wu; et al. J. Phys. Chem. B 1997, 101, 7654) with E1+ diagonal energy disorder. Such a symmetry is known to dictate the response of the B870 level (absorption bandwidth, displacement (DeltaE) from the B850 band maximum) to either diagonal or off-diagonal energy disorder. The results reveal that the pressure dependences of nearest neighbor coupling energies and the width of the distribution function for energy disorder are positively correlated, both increasing with pressure. Importantly, an effective pressure dependent excitonic Hamiltonian for the B850 ring was obtained. This Hamiltonian was used to show that mixing of the upper excitonic levels of the B850 ring in close proximity to the B800 levels is too weak to account for the additional (other than B800 --> B850 energy transfer) decay channel of the B800 band. A simple combinatorial model for intra-B800 band downward energy transfer is presented that qualitatively explains all available low-temperature data on the additional decay channel. C1 Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Zazubovich, V (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. NR 53 TC 16 Z9 17 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 JUL 4 PY 2002 VL 106 IS 26 BP 6802 EP 6814 DI 10.1021/jp020540d PG 13 WC Chemistry, Physical SC Chemistry GA 569GL UT WOS:000176592900027 ER PT J AU Miquel, C Paz, JP Saraceno, M Knill, E Laflamme, R Negrevergne, C AF Miquel, C Paz, JP Saraceno, M Knill, E Laflamme, R Negrevergne, C TI Interpretation of tomography and spectroscopy as dual forms of quantum computation SO NATURE LA English DT Article ID WIGNER-FUNCTION; ALGORITHMS; COMPUTER; STATES AB It is important to be able to determine the state of a quantum system and to measure properties of its evolution. State determination can be achieved using tomography(1), in which the system is subjected to a series of experiments, whereas spectroscopy can be used to probe the energy spectrum associated with the system's evolution. Here we show that, for a quantum system whose state or evolution can be modelled on a quantum computer, tomography and spectroscopy can be interpreted as dual forms of quantum computation(2). Specifically, we find that the phase estimation algorithm(3) (which underlies a quantum computer's ability to perform efficient simulations(4) and to factorize large numbers(5)) can be adapted for tomography or spectroscopy. This is analogous to the situation encountered in scattering experiments, in which it is possible to obtain information about both the state of the scatterer and its interactions. We provide an experimental demonstration of the tomographic application by performing a measurement of the Wigner function (a phase space distribution) of a quantum system. For this purpose, we use three qubits formed from spin-1/2 nuclei in a quantum computation involving liquid-state nuclear magnetic resonance. C1 Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. CNEA Buenos Aires, Unidad Act Fis, Buenos Aires, DF, Argentina. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. Perimeter Inst Theoret Phys, Waterloo, ON N2J 2W9, Canada. RP Paz, JP (reprint author), Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, Pabellon 1,Ciudad Univ, RA-1428 Buenos Aires, DF, Argentina. RI Paz, Juan/C-5947-2008 NR 22 TC 63 Z9 63 U1 0 U2 5 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD JUL 4 PY 2002 VL 418 IS 6893 BP 59 EP 62 DI 10.1038/nature00801 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 569JL UT WOS:000176599200036 PM 12097904 ER PT J AU Grossman, Y Kagan, AL Ligeti, Z AF Grossman, Y Kagan, AL Ligeti, Z TI Can the CP asymmetries in B ->psi K-S and B ->psi K-L differ? SO PHYSICS LETTERS B LA English DT Article ID B-MESON; VIOLATING PARAMETERS; BOTTOM-QUARK; DECAYS; PHYSICS; SYSTEM AB In the standard model the CP asymmetries in B --> psiK(S) and B --> psiK(L) are equal in magnitude and opposite in sign to very good approximation. We compute the order epsilon(K) corrections to each of these CP asymmetries and find that they give a deviation from sin 2beta at the half percent level, which may eventually be measurable. However, the correction to a(CP) (B --> psiK(S)) + a(CP)(B --> psiK(L)) due to epsilon(K) is further suppressed. The dominant corrections to this sum, at the few times 10(-3) level, come from the B lifetime difference, and CP violation in B-(B) over bar mixing and B --> psiK decay. New physics could induce a significant difference in the sin(Deltam (B) t) time dependence in the asymmetries if and only if the "wrong-flavor" amplitudes B --> psi(K) over bar or (B) over bar --> psiK are generated. A scale of new physics that lies well below the weak scale would be required. Potential scenarios are therefore highly constrained, and do not appear feasible. A direct test is proposed to set bounds on such effects. (C) 2002 Published by Elsevier Science B.V. C1 Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. Fermilab Natl Accelerator Lab, Theory Grp, Batavia, IL 60510 USA. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Grossman, Y (reprint author), Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. NR 23 TC 27 Z9 27 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 JUL 4 PY 2002 VL 538 IS 3-4 BP 327 EP 334 AR PII S0370-2693(02)02027-0 DI 10.1016/S0370-2693(02)02027-0 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 573XE UT WOS:000176857100016 ER PT J AU Hall, LJ Nomura, Y Pierce, A AF Hall, LJ Nomura, Y Pierce, A TI R symmetry and the mu problem SO PHYSICS LETTERS B LA English DT Article ID DYNAMICAL SUPERSYMMETRY BREAKING; NATURAL SOLUTION; SUPERGRAVITY; MODELS; TERM AB A natural origin for the A and AB parameters of weak scale supersymmetric theories is proposed, applicable to any supersymmetry breaking messenger scale between the weak and Planck scales. Although quite general, it requires supersymmetric interactions to respect an R symmetry with definite quantum numbers, and it requires some new scale of symmetry breaking. The required R symmetry distinguishes the Higgs boson from the sneutrino, preserves baryon number in operators of dimension four and five, and contains R parity so that the lightest superpartner is stable. This origin for mu works for a variety of mediation mechanisms, including gauge mediation, gaugino mediation, and boundary condition breaking of supersymmetry. In any of these mediation schemes, our mechanism leads to a real B parameter, and the supersymmetric CP problem is solved. This R symmetry may naturally arise from supersymmetric theories in higher dimensions. (C) 2002 Published by Elsevier Science B.V. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM apierce@socrates.berkeley.edu NR 38 TC 31 Z9 31 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 JUL 4 PY 2002 VL 538 IS 3-4 BP 359 EP 365 AR PII S0370-2693(02)02043-9 DI 10.1016/S0370-2693(02)02043-9 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 573XE UT WOS:000176857100020 ER PT J AU Lu, Y Sousa, A Franco, R Mangravita, A Ferreira, GC Moura, I Shelnutt, JA AF Lu, Y Sousa, A Franco, R Mangravita, A Ferreira, GC Moura, I Shelnutt, JA TI Binding of protoporphyrin IX and metal derivatives to the active site of wild-type mouse ferrochelatase at low porphyrin-to-protein ratios SO BIOCHEMISTRY LA English DT Article ID RESONANCE RAMAN-SPECTRA; MAMMALIAN FERROCHELATASE; HEME-BIOSYNTHESIS; TERMINAL ENZYME; CYTOCHROME-C; HEMOGLOBIN; IDENTIFICATION; PURIFICATION; PLANAR; MODES AB Resonance Raman (RR) spectroscopy is used to examine porphyrin substrate, product, and inhibitor interactions with the active site of murine ferrochelatase (EC 4.99.1.1), the terminal enzyme in the biosynthesis of heme. The enzyme catalyzes in vivo Fe2+ chelation into protoporphyrin IX to give heme. The RR spectra of native ferrochelatase show that the protein, as isolated, contains varying amounts of endogenously bound high- or low-spin ferric heme, always at much less than 1 equiv. RR data on the binding of free-base protoporphyrin IX and its metalated complexes (Fe(III), Fe(II), and Ni(II)) to active wild-type protein were obtained at varying ratios of porphyrin to protein. The binding of ferric heme, a known inhibitor of the enzyme, leads to the formation of a low-spin six-coordinate adduct. Ferrous heme, the enzyme's natural product, binds in the ferrous high-spin five-coordinate state. Ni(II) protoporphyrin, a metalloporphyrin that has a low tendency toward axial ligation, becomes distorted when bound to ferrochelatase. Similarly for free-base protoporphyrin, the natural substrate of ferrochelatase, the RR spectra of porphyrin-protein complexes reveal a saddling distortion of the porphyrin. These results corroborate and extend our previous findings that porphyrin distortion, a crucial step of the catalytic mechanism, occurs even in the absence of bound metal substrate. Moreover, RR data reveal the presence of an amino acid residue in the active site of ferrochelatase which is capable of specific axial ligation to metals. C1 Sandia Natl Labs, Biomol Mat & Interfaces Dept, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. Univ S Florida, Dept Biochem & Mol Biol, Inst Biomol Sci, Tampa, FL 33612 USA. Univ S Florida, H Lee Moffit Canc Ctr & Res Inst, Tampa, FL 33612 USA. Univ Nova Lisboa, Fac Ciencias & Tecnol, Dept Quim, Ctr Quim Fina & Biotecnol, P-2829 Caparica, Portugal. RP Shelnutt, JA (reprint author), Sandia Natl Labs, Biomol Mat & Interfaces Dept, POB 5800, Albuquerque, NM 87185 USA. RI Shelnutt, John/A-9987-2009; Ferreira, Gloria/A-4709-2012; REQUIMTE, FMN/M-5611-2013; REQUIMTE, SMB/M-5694-2013; Moura, Isabel/D-6339-2013; REQUIMTE, UCIBIO/N-9846-2013; Franco, Ricardo/C-5247-2008 OI Shelnutt, John/0000-0001-7368-582X; Moura, Isabel/0000-0003-0971-4977; Franco, Ricardo/0000-0002-5139-2871 NR 30 TC 20 Z9 20 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD JUL 2 PY 2002 VL 41 IS 26 BP 8253 EP 8262 DI 10.1021/bi025569m PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 568PK UT WOS:000176551000005 PM 12081474 ER PT J AU Harris, DJ Bonagamba, TJ Schmidt-Rohr, K AF Harris, DJ Bonagamba, TJ Schmidt-Rohr, K TI NMR characterization of sodium poly(alpha-L-glutamate)/poly(ethylene oxide) blends SO MACROMOLECULES LA English DT Article ID DOUBLE-QUANTUM NMR; SOLID-STATE NMR; POLY(ETHYLENE OXIDE); C-13 NMR; MOLECULAR-COMPLEXES; CONFORMATION; DYNAMICS C1 Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. Univ Sao Paulo, Inst Fis Sao Carlos, BR-13560970 Sao Carlos, SP, Brazil. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Schmidt-Rohr, K (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. RI Bonagamba, Tito/A-2166-2008; Sao Carlos Institute of Physics, IFSC/USP/M-2664-2016 NR 20 TC 3 Z9 3 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD JUL 2 PY 2002 VL 35 IS 14 BP 5724 EP 5726 DI 10.1021/ma010545t PG 3 WC Polymer Science SC Polymer Science GA 568HD UT WOS:000176535600057 ER PT J AU Wang, GJ Volkow, ND Felder, C Fowler, JS Levy, AV Pappas, NR Wong, CT Zhu, W Netusil, N AF Wang, GJ Volkow, ND Felder, C Fowler, JS Levy, AV Pappas, NR Wong, CT Zhu, W Netusil, N TI Enhanced resting activity of the oral somatosensory cortex in obese subjects SO NEUROREPORT LA English DT Article DE brain function; obesity; positron emission tomography; somatosensory cortex ID CEREBRAL BLOOD-FLOW; BRAIN; FOOD; PALATABILITY; SATIATION; EXPOSURE; DOPAMINE; NUCLEUS; REWARD; HUMANS AB The cerebral mechanisms underlying excess food intake in obese subjects are poorly understood. We used PET and 2-deoxy-2[F-18]fluoro-D-glucose to assess differences in regional brain metabolism between obese and lean subjects at rest. Brain metabolic images were analyzed using statistical parameter maps. We found that obese subjects have significantly higher metabolic activity in the bilateral parietal somatosensory cortex in the regions where sensation to the mouth, lips and tongue are located. The enhanced activity in somatosensory regions involved with sensory processing of food in the obese subjects could make them more sensitive to the rewarding properties of food related to palatability and could be one of the variables contributing to their excess food consumption. C1 Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. SUNY Stony Brook, Dept Radiol, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Psychiat, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. RP Wang, GJ (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. FU NIDA NIH HHS [DA 06891-02] NR 26 TC 62 Z9 63 U1 0 U2 7 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0959-4965 J9 NEUROREPORT JI Neuroreport PD JUL 2 PY 2002 VL 13 IS 9 BP 1151 EP 1155 DI 10.1097/00001756-200207020-00016 PG 5 WC Neurosciences SC Neurosciences & Neurology GA 587NV UT WOS:000177648700011 PM 12151759 ER PT J AU Houston, JE Kim, HI AF Houston, JE Kim, HI TI Adhesion, friction, and mechanical properties of functionalized alkanethiol self-assembled monolayers SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID ATOMIC-FORCE MICROSCOPE; NANOMECHANICAL PROPERTIES; SI SURFACES; AU; TRIBOLOGY; MOLECULES; CONTACT; AU(111); AU(001); GOLD AB We have used interfacial force microscopy to study the adhesion, friction, and mechanical properties of molecular monolayers self-assembled on Au surfaces. This quantitative and stable scanning-probe technique permits detailed studies of these factors. By systematic variation of the chemical nature of the end groups on the monolayers and utilization of standard and intuitive contact-mechanics models, quantitative results are presented of inter- and intrafilm bonding strength as well as the relationship between mechanical behavior and the lateral friction force. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Aerosp Corp, Los Angeles, CA 90009 USA. RP Houston, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 33 TC 82 Z9 83 U1 5 U2 30 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD JUL PY 2002 VL 35 IS 7 BP 547 EP 553 DI 10.1021/ar9801144 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 595GN UT WOS:000178100400007 PM 12118994 ER PT J AU Humphreys, G Houston, M Ng, R Frank, R Ahern, S Kirchner, PD Klosowski, JT AF Humphreys, G Houston, M Ng, R Frank, R Ahern, S Kirchner, PD Klosowski, JT TI Chromium: A stream-processing framework for interactive rendering on clusters SO ACM TRANSACTIONS ON GRAPHICS LA English DT Article; Proceedings Paper CT SIGGRAPH 2002 Meeting CY JUL 21-26, 2002 CL SAN ANTONIO, TEXAS SP Assoc Comp Machinery DE scalable rendering; cluster rendering; parallel rendering; tiled displays; remote graphics; virtual graphics; stream processing AB We describe Chromium, a system for manipulating streams of graphics API commands on clusters of workstations. Chromium's stream filters can be arranged to create sort-first and sort-last parallel graphics architectures that, in many cases, support the same applications while using only commodity graphics accelerators. In addition, these stream filters can be extended programmatically, allowing the user to customize the stream transformations performed by nodes in a cluster. Because our stream processing mechanism is completely general, any cluster-parallel rendering algorithm call be either implemented on top of or embedded in Chromium. In this paper, we give examples of real-world applications that use Chromium to achieve good scalability oil clusters of workstations, and describe other potential uses of this stream processing technology. By completely abstracting the underlying graphics architecture, network topology, and API command processing semantics, we allow a variety of applications to run in different environments. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. RP Humphreys, G (reprint author), Stanford Univ, Stanford, CA 94305 USA. NR 33 TC 117 Z9 130 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036 USA SN 0730-0301 J9 ACM T GRAPHIC JI ACM Trans. Graph. PD JUL PY 2002 VL 21 IS 3 BP 693 EP 702 PG 10 WC Computer Science, Software Engineering SC Computer Science GA 570RH UT WOS:000176671100060 ER PT J AU Zhang, Y Colella, R Kycia, S Goldman, AI AF Zhang, Y Colella, R Kycia, S Goldman, AI TI Absolute structure-factor measurements of an Al-Pd-Mn quasicrystal SO ACTA CRYSTALLOGRAPHICA SECTION A LA English DT Article ID QUASI-CRYSTALS; X-RAYS; DIFFRACTION AB A number of X-ray reflections from an icosahedral quasicrystal Al-Pd-Mn have been measured with great accuracy on an absolute basis by making use of Bragg-case diffraction. Since the specimen had high crystal quality, the dynamical theory was used for analyzing the results and to extract structure factors from measured integrated intensities. Good agreement was found between theory and experiment for strong reflections. Anomalous transmission was found to be strong in the 'good' regions of the quasicrystalline specimen and it was measured on an absolute basis, but the small residual strains present in the specimen prevented an accurate comparison between theory and experiment. A detailed discussion is presented on the parameters that mostly affect anomalous transmission in relationship to the adopted structural model. C1 Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Colella, R (reprint author), Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. NR 18 TC 0 Z9 0 U1 0 U2 2 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0108-7673 J9 ACTA CRYSTALLOGR A JI Acta Crystallogr. Sect. A PD JUL PY 2002 VL 58 BP 385 EP 390 DI 10.1107/S0108767302007985 PN 4 PG 6 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 567QK UT WOS:000176495500010 PM 12089461 ER PT J AU Krivenko, AA Kazantsev, AV Adamidi, C Harrington, DJ Pace, NR AF Krivenko, AA Kazantsev, AV Adamidi, C Harrington, DJ Pace, NR TI Expression, purification, crystallization and preliminary diffraction analysis of RNase P protein from Thermotoga maritima SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID RIBONUCLEASE-P; BACTERIA AB Ribonuclease P (RNase P), the ubiquitous endonuclease that catalyzes maturation of the 5'-end of tRNA in bacteria, is a ribonucleoprotein particle composed of one large RNA and one small protein. Two major structural types of bacterial RNase P RNA have been identified by phylogenetic comparative analysis: the A (ancestral) and B (Bacillus) types. The RNase P protein from Thermotoga maritima, a hyperthermophilic bacterium with an A-type RNase P RNA, has been expressed in Escherichia coli. A purification strategy was developed to obtain a protein preparation suitable for crystallization. Protein crystals suitable for diffraction studies were obtained and characterized. C1 Univ Colorado, Dept MCD Biol, Boulder, CO 80309 USA. Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10032 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Pace, NR (reprint author), Univ Colorado, Dept MCD Biol, Boulder, CO 80309 USA. NR 12 TC 7 Z9 7 U1 0 U2 1 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JUL PY 2002 VL 58 BP 1234 EP 1236 DI 10.1007/S0907444902007965 PN 7 PG 3 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 564YW UT WOS:000176342000029 PM 12077454 ER PT J AU Rodriguez, MA Aubert, JH McElhanon, JR Eatough, MO AF Rodriguez, MA Aubert, JH McElhanon, JR Eatough, MO TI N-(4-hydroxyphenyl)maleimide SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article AB In the title compound, C10H7NO3, the malamute ring is rotated by 52.75 (5)degrees with respect to the phenyl ring. There is a weak O-H...O intermolecular hydrogen bond between the hydroxyl group and one of the malamute O atoms, with an O...O distance of 2.820 (2) Angstrom. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rodriguez, MA (reprint author), Sandia Natl Labs, POB 5800,MS 1411, Albuquerque, NM 87185 USA. NR 7 TC 4 Z9 4 U1 0 U2 4 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD JUL PY 2002 VL 58 BP O742 EP O744 DI 10.1107/S1600536802009819 PN 7 PG 3 WC Crystallography SC Crystallography GA 567QP UT WOS:000176496000044 ER PT J AU Barrett, BR Navratil, P Ormand, WE Vary, JP AF Barrett, BR Navratil, P Ormand, WE Vary, JP TI Ab initio large-basis no-core shell model and its application to light nuclei (vol B33, pg 297, 2002) SO ACTA PHYSICA POLONICA B LA English DT Correction C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD JUL PY 2002 VL 33 IS 7 BP 2013 EP 2013 PG 1 WC Physics, Multidisciplinary SC Physics GA 586QM UT WOS:000177595800020 ER PT J AU Sarma, GB Radhakrishnan, B Dawson, PR AF Sarma, GB Radhakrishnan, B Dawson, PR TI Mesoscale modeling of microstructure and texture evolution during deformation processing of metals SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID FINITE-ELEMENT SIMULATIONS; MONTE-CARLO SIMULATION; STATIC RECRYSTALLIZATION; GRAIN INTERACTION; POLYCRYSTALS; CRYSTALS; COMPRESSION; ALUMINUM; PLASTICITY AB The application of the finite element method to model the deformation of metals at the mesoscale to study the microstructure and texture evolution is described. The finite element discretization is applied directly to the various grains, and crystal plasticity is used as the constitutive basis to model the plastic deformation by crystallographic slip, and to evolve the slip system strength and crystal lattice orientation of the material. Applications of the methodology to detailed studies of the non-uniform deformations of individual grains, and effects of grain interactions on the distributions of deformation and stress in the microstructure are discussed. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA. RP Sarma, GB (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. NR 22 TC 14 Z9 14 U1 1 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1438-1656 J9 ADV ENG MATER JI Adv. Eng. Mater. PD JUL PY 2002 VL 4 IS 7 BP 509 EP 514 DI 10.1002/1527-2648(20020717)4:7<509::AID-ADEM509>3.0.CO;2-8 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 578AX UT WOS:000177096200013 ER PT J AU Salsgiver, J Maziasz, P AF Salsgiver, J Maziasz, P TI Stainless Steels and specialty Metals SO ADVANCED MATERIALS & PROCESSES LA English DT Editorial Material C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU ASM INTERNATIONAL PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD JUL PY 2002 VL 160 IS 7 BP 5 EP 5 PG 1 WC Materials Science, Multidisciplinary SC Materials Science GA 572NL UT WOS:000176781500002 ER PT J AU Salsgiver, J Maziasz, P AF Salsgiver, J Maziasz, P TI Stainless Steels Conference 2002 - Abstracts SO ADVANCED MATERIALS & PROCESSES LA English DT Article C1 Allegheny Ludlum, Pittsburgh, PA 15222 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Salsgiver, J (reprint author), Allegheny Ludlum, Pittsburgh, PA 15222 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU ASM INTERNATIONAL PI MATERIALS PARK PA SUBSCRIPTIONS SPECIALIST CUSTOMER SERVICE, MATERIALS PARK, OH 44073-0002 USA SN 0882-7958 J9 ADV MATER PROCESS JI Adv. Mater. Process. PD JUL PY 2002 VL 160 IS 7 BP 42 EP 43 PG 2 WC Materials Science, Multidisciplinary SC Materials Science GA 572NL UT WOS:000176781500006 ER PT J AU Zhang, K Woodbury, AD AF Zhang, K Woodbury, AD TI A Krylov finite element approach for multi-species contaminant transport in discretely fractured porous media SO ADVANCES IN WATER RESOURCES LA English DT Article DE Krylov subspace; Arnoldi reduction; discrete fracture approach; fractured media; multi-species; Laplace transform Galerkin ID TRANSFORM GALERKIN TECHNIQUE; DECAY-CHAIN TRANSPORT; LAPLACE TRANSFORM; GROUNDWATER-FLOW; MASS-TRANSPORT; REACTIVE TRANSPORT; SOLUTE TRANSPORT; SINGLE FRACTURE; POROSITY MEDIA; LANCZOS METHOD AB Simulation of non-ideal transport of multi-species solutes in fractured porous media can easily introduce hundreds of thousand to millions of unknowns. In this paper, a Krylov finite element method, the Arnoldi reduction method (ARM), for solving these type problems has been introduced. The Arnoldi reduction technique uses orthogonal matrix transformations to reduce each of the aforementioned coupled systems to much smaller size. In order to speed convergence of the Arnoldi process, an eigenvalue shift in each finite element system is introduced. This approach greatly improves the diagonal dominant properties of the matrices to be solved. This property leads to great enhancement of the iterative solution and the convergence rate for Arnoldi reduction process. In addition, the use of the eigenvalue shift technique greatly relaxes the grid Peclet restrictions. Courant number criteria restrictions are also effectively removed. We utilize an ORTHOMIN procedure to carry out the equation system reductions for discrete fractured media. The proposed numerical method has been verified by comparison against analytical solutions. The developed model is highly efficient in computing time and storage space. Simulations of radioactive decay chain and trichloroethylene transport are made and compared to the Laplace transform Galerkin (LTG) method where appropriate. Examples with about one million unknowns are solved on personal computers and shown that the ARM is even more efficient than the LTG method, by allowing for similar speed increases with multi-components. Therefore, the Arnoldi approach will allow for a variety of complex, high-resolution problems to be solved on small computer platforms. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Manitoba, Dept Civil & Geol Engn, Winnipeg, MB R3T 3V5, Canada. RP Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, MS 90-1116, Berkeley, CA 94720 USA. EM kzhang@lbl.gov NR 43 TC 11 Z9 13 U1 1 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD JUL PY 2002 VL 25 IS 7 BP 705 EP 721 AR PII S0309-1708(02)00084-2 DI 10.1016/S0309-1708(02)00084-2 PG 17 WC Water Resources SC Water Resources GA 621YM UT WOS:000179618700001 ER PT J AU Faybishenko, B AF Faybishenko, B TI Chaotic dynamics in flow through unsaturated fractured media SO ADVANCES IN WATER RESOURCES LA English DT Article ID RIVER RUN WILD; WETTING FRONT INSTABILITY; HYDROLOGICAL SYSTEMS; POROUS-MEDIA; LIQUID-FILM; SOLUTE TRANSPORT; WATER DROPLETS; VADOSE ZONE; MODEL; SOILS AB Predictions of flow and transport within fractured rock in the vadose zone cannot be made without first characterizing the physics of unstable flow phenomena in unsaturated fractures. This paper introduces a new approach for studying complex flow processes in heterogeneous fractured media, using the methods of nonlinear dynamics and chaos-in particular reconstructing the system dynamics and calculating chaotic diagnostic parameters from time-series data. To demonstrate the application of chaotic analysis, this author analyzed the time-series pressure fluctuations from two water-air flow experiments conducted by Persoff and Pruess [Water Resour. Res. 31 (1995) 1175] in replicas of rough-walled rock fractures under controlled boundary conditions. This analysis showed that chaotic flow in fractures creates relaxational oscillations of liquid, gas, and capillary pressures. These pressure oscillations were used to calculate the diagnostic parameters of deterministic chaos, including correlation time, global embedding dimension, local embedding dimension, Lyapunov dimension, Lyapunov exponents, and correlation dimension. The results of the Persoff-Pruess experiments were then compared with the chaotic analysis of laboratory dripping-water experiments in fracture models and field-infiltration experiments in fractured basalt. This comparison allowed us to conjecture that intrinsic fracture flow and dripping, as well as extrinsic water dripping (from a fracture) subjected to a capillary-barrier effect, are deterministic-chaotic processes with a certain random component. The unsaturated fractured rock is a dynamic system that exhibits chaotic behavior because the flow processes are nonlinear, dissipative, and sensitive to initial conditions, with chaotic fluctuations generated by intrinsic properties of the system, not random external factors. Identifying a system as deterministically chaotic is important for developing appropriate short- and long-term prediction models, evaluating prediction uncertainty, assessing the spatial distribution of flow characteristics from time-series data, and improving chemical-transport simulations. Published by Elsevier Science Ltd. C1 Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Faybishenko, B (reprint author), Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd MS 90-1116, Berkeley, CA 94720 USA. EM bfay@lbl.gov RI Faybishenko, Boris/G-3363-2015 OI Faybishenko, Boris/0000-0003-0085-8499 NR 91 TC 15 Z9 15 U1 1 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 JUL PY 2002 VL 25 IS 7 BP 793 EP 816 AR PII S0309-1708(02)00028-3 DI 10.1016/S0309-1708(02)00028-3 PG 24 WC Water Resources SC Water Resources GA 621YM UT WOS:000179618700008 ER PT J AU Bihari, BL Ota, DK Liu, Z Ramakrishnan, SV AF Bihari, BL Ota, DK Liu, Z Ramakrishnan, SV TI Multiresolution method on general unstructured meshes SO AIAA JOURNAL LA English DT Article ID CONSERVATION-LAWS; NUMERICAL-SOLUTION; SCHEMES; ALGORITHMS; FLOWS AB Recent advances are presented in the development, implementation, and application of a novel solution adaptive method, the multiresolution (MR) scheme. The MR method uses the difference in information between adjacent grid levels on a set of nested grids for determining active and inactive grid cells. This amounts to computing the wavelet decomposition of the solution, which is known to be a rich source of regularity information. Shocks, contact discontinuities, reaction fronts, or any other inviscid and viscous flow features are identified and tracked in a time-accurate fashion. In active regions, the underlying finite volume scheme is solved in the usual manner, whereas in smooth regions, an inexpensive interpolation of the numerical divergence replaces both flux computations and reconstruction. Thus, the simulation becomes significantly more efficient without any loss of accuracy compared to the finest grid available. The combined finite volume-MR method will be described followed by two-dimensional and three-dimensional time-accurate examples on unstructured meshes. C1 Hypercomp Inc, Westlake Village, CA 91362 USA. RP Bihari, BL (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, L-560,7000 East Ave, Livermore, CA 94550 USA. NR 18 TC 3 Z9 3 U1 0 U2 1 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091 USA SN 0001-1452 J9 AIAA J JI AIAA J. PD JUL PY 2002 VL 40 IS 7 BP 1323 EP 1330 DI 10.2514/2.1821 PG 8 WC Engineering, Aerospace SC Engineering GA 569WA UT WOS:000176624400008 ER PT J AU Wambach, PF AF Wambach, PF TI Variation in exposure levels for high hazard frequently monitored agents SO AIHAJ LA English DT Article DE asbestos; beryllium; censored data; exposure assessment; ionizing radiation; variance AB Assumptions about the underlying distribution of occupational exposures are important to the practice of industrial hygiene, They affect decisions on exposure monitoring strategies, the interpretation of monitoring results, and the degree of protection provided by occupational exposure limits and action levels, However, there is little published data validating these assumptions. Strict exposure limits for three highly hazardous agents, asbestos, beryllium, and ionizing radiation, led to frequent monitoring of occupational exposure levels. Consequently, sets of hundreds to thousands of exposure measurements are available for analysis, Statistical analysis of these data sets indicates that within-worker variation, as measured by geometric standard deviation (GSD), tend to be higher than is generally assumed for occupational exposures. The success of health protection programs in identifying and controlling predictable sources of exposure through frequent monitoring is offered as a possible explanation for the relatively high variation observed in these data sets. Despite the high exposure variation, arithmetic mean levels and the percentage of measurements exceeding exposure limits were low, indicating that a large GSD does not imply that working conditions are unacceptable. However, more frequent monitoring is required to assure exposures are acceptable. This article also presents an adaptation of graphical methods, using probability plotting and linear regression, to estimate the distribution parameters of a data set that contains a high percentage of nondetected results. C1 US DOE, Germantown, MD 20874 USA. RP Wambach, PF (reprint author), US DOE, EH-6,270 CC,199901 Germantown Rd, Germantown, MD 20874 USA. NR 12 TC 0 Z9 0 U1 0 U2 1 PU AMER INDUSTRIAL HYGIENE ASSOC PI FAIRFAX PA 2700 PROSPERITY AVE #250, FAIRFAX, VA 22031-4307 USA SN 1529-8663 J9 AIHAJ JI AIHAJ PD JUL-AUG PY 2002 VL 63 IS 4 BP 424 EP 429 DI 10.1080/15428110208984730 PG 6 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 583DG UT WOS:000177390200007 PM 12486775 ER PT J AU Bilderback, TR Lee, F Auersperg, N Rodland, KD AF Bilderback, TR Lee, F Auersperg, N Rodland, KD TI Phosphatidylinositol 3-kinase-dependent, MEK-independent proliferation in response to CaR activation SO AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY LA English DT Article DE ovarian surface epithelial cells; signal transduction; extracellular signal-regulated kinase; mitogen-activated protein kinase; Akt; calcium-sensing receptor ID SURFACE EPITHELIAL-CELLS; CALCIUM-SENSING RECEPTOR; EXTRACELLULAR CALCIUM; SIGNAL-TRANSDUCTION; PROTEIN-KINASE; REGULATED KINASES; OVARIAN-CANCER; RAT; EXPRESSION; CLONING AB Although ovarian surface epithelial (OSE) cells are responsible for the majority of ovarian tumors, we know relatively little about the pathway(s) that is responsible for regulating their proliferation. We found that phosphatidylinositol 3-kinase (PI3K) is activated in OSE cells in response to elevated extracellular calcium, and the PI3K inhibitors wortmannin and LY-294002 inhibited extracellular signal-regulated kinase (ERK) activation by similar to75%, similar to effects of the mitogen-activated protein kinase/ERK kinase inhibitor PD-98059. However, in assays of proliferation, we found that PD-98059 inhibited proliferation by similar to50%, whereas wortmannin inhibited >90% of the proliferative response to elevated calcium. Expression of a dominant negative PI3K totally inhibited ERK activation in response to calcium. These results demonstrate that ERK activation cannot account for the full proliferative effect of elevated calcium in OSE cells and suggest the presence of an ERK-independent, PI3K-dependent component in the proliferative response. C1 Oregon Hlth Sci Univ, Dept Cell & Dev Biol, Portland, OR 97201 USA. Univ British Columbia, Vancouver, BC V6H 3V5, Canada. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Rodland, KD (reprint author), Pacific NW Natl Lab, 790 6th St,POB 999, Richland, WA 99352 USA. FU NCI NIH HHS [CA-78722, CA-74272] NR 28 TC 27 Z9 27 U1 0 U2 0 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 0363-6143 J9 AM J PHYSIOL-CELL PH JI Am. J. Physiol.-Cell Physiol. PD JUL PY 2002 VL 283 IS 1 BP C282 EP C288 DI 10.1152/ajpcell.00437.2001 PG 7 WC Cell Biology; Physiology SC Cell Biology; Physiology GA 560EY UT WOS:000176070800030 PM 12055097 ER PT J AU Walker, D Cranswick, LMD Verma, PK Clark, SM Buhre, S AF Walker, D Cranswick, LMD Verma, PK Clark, SM Buhre, S TI Thermal equations of state for B1 and B2 KCl SO AMERICAN MINERALOGIST LA English DT Article ID HIGH-PRESSURES; ALKALI-HALIDES AB Compressibility of solids generally drops as compression proceeds. Bonds shorten and stiffen with density increase in the same structure. However for the B1-B2 phase transition in many measured alkali halides, bond lengths increase in going to the denser phase. And IR mode frequencies decrease (Hofmeister 1997), leading to the counter-intuitive expectation that compressibility should increase in going to the denser B2 phase. Past volume measurements have been equivocal at best in recognizing any such compressibility increase. New thermal equations of state for B1 and B2 KCl from in-situ X-ray diffraction measurements of phase volumes on Station 16.4 of the CLRC Daresbury Laboratory are no less equivocal about the issue of whether compressibility increases or decreases across the transition. In contrast, the new volume measurements show an easily resolved thermal expansion increase in going from B1 to B2 KCl. The product alpha.K, which is better known than either alpha or K, increases from 0.0195+/-0.0005 kbar/degreesC in B1 to 0.0275+/-0.0009 kbar/degreesC in B2 KCl. Yagi (1978) demonstrated a similar increase for KF, also supported mainly by increases in alpha. This increase can also be seen in RbCl (Walker er al. 2001). Bond weakening indicated by the thermal expansion increase is consistent with the elusive compressibility increase that is expected across the B1-B2 transition but which is not resolved from volume measurements. The thermal effects are more visible than the compressional effects on alpha.K across the transition. Bond tightening upon decompression reduces alpha, increases solid viscosity, and hence decreases the Rayleigh number. An upwelling of material undergoing a decompression phase change with decrease of coordination number may have its convective friskiness damped at such a transition. C1 Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. Columbia Univ, Dept Earth & Environm Sci, Palisades, NY 10964 USA. Univ London Birkbeck Coll, Sch Crystallog, Cooperat Computat Project 14, London WC1E 7HX, England. Univ Delhi, Dept Geol, Delhi 110007, India. Daresbury Lab, Cent Labs Res Council, Warrington WA4 4AD, Cheshire, England. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. JW Goethe Univ, Inst Mineral, D-60054 Frankfurt, Germany. RP Walker, D (reprint author), Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. RI Clark, Simon/B-2041-2013 OI Clark, Simon/0000-0002-7488-3438 NR 21 TC 24 Z9 24 U1 2 U2 13 PU MINERALOGICAL SOC AMER PI WASHINGTON PA 1015 EIGHTEENTH ST, NW SUITE 601, WASHINGTON, DC 20036 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD JUL PY 2002 VL 87 IS 7 BP 805 EP 812 PG 8 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 570QW UT WOS:000176670000001 ER PT J AU Song, JM Vo-Dinh, T AF Song, JM Vo-Dinh, T TI Integrated CMOS microchip system with capillary array electrophoresis SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Review DE CMOS microchip; capillary array electrophoresis; miniaturization; DNA separation ID DNA; DEVICE; OPTIMIZATION; SECONDS; CHIPS AB A complementary metal oxide semiconductor (CMOS)-capillary array electrophoresis (CAE) system has been used for DNA analysis. Because of its compactness and multiplex capability, the CAE-CMOS microchip is very suitable for the construction of a miniaturized high-throughput system for bioassays. Use of simultaneous laser-beam focusing on to the capillary array and a microscope objective contributed to the construction of the compact CMOS microchip-CAE system. To test the constructed system 100-base-pair (bp) DNA ladders and Hind III digest lambda DNA were separated in poly(vinylpyrrolidone) (PVP) sieving matrix. The miniaturized and integrated CMOS microchip system used in this work had great potential for combination with a variety of micro-fabricated devices for biomedical research. C1 Oak Ridge Natl Lab, Adv Biomed Sci & Technol Grp, Div Life Sci, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, Adv Biomed Sci & Technol Grp, Div Life Sci, POB 2008, Oak Ridge, TN 37831 USA. EM vodinht@ornl.gov NR 24 TC 7 Z9 7 U1 0 U2 1 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 EI 1618-2650 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD JUL PY 2002 VL 373 IS 6 BP 399 EP 403 DI 10.1007/s00216-002-1353-4 PG 5 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 584GQ UT WOS:000177459200010 ER PT J AU Goodwin, MB Bench, G Grant, PG AF Goodwin, MB Bench, G Grant, PG TI Comments on "Isotopic analysis of dinosaur bones" SO ANALYTICAL CHEMISTRY LA English DT Letter C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Goodwin, MB (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 0 TC 3 Z9 3 U1 0 U2 6 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 JUL 1 PY 2002 VL 74 IS 13 BP 351A EP 351A DI 10.1021/ac022059p PG 1 WC Chemistry, Analytical SC Chemistry GA 569FH UT WOS:000176589800002 PM 12141691 ER PT J AU Griffiths, SK Nilson, RH AF Griffiths, SK Nilson, RH TI Design and analysis of folded channels for chip-based separations SO ANALYTICAL CHEMISTRY LA English DT Article ID CAPILLARY-ELECTROPHORESIS; SYSTEMS; DISPERSION; GLASS; TURNS; GEOMETRIES; TECHNOLOGY; MICROCHIP AB Analytical methods are employed to investigate band broadening in a microchannel turn and adjoining straight channel segments for species transport by electrophoresis or electroosmotic flow. On the basis of closed-form solutions, we find that turn-induced broadening is negligible relative to total broadening when the radius of the turn exceeds some minimum. This minimum radius is about six-tenths of the product of the channel width and the Peclet number. We also find that the minimum radius is significantly reduced when a straight channel segment adjoins the turn in a folded configuration. Such straight segments noticeably reduce the minimum radius even for segment lengths comparable to the turn radius. The application of these results to folded and spiral channels is discussed, and sample calculations for practical conditions are presented. New pleated and coiled geometries for the compact layout of separation channels are also presented. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Griffiths, SK (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. NR 17 TC 32 Z9 34 U1 0 U2 10 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 JUL 1 PY 2002 VL 74 IS 13 BP 2960 EP 2967 DI 10.1021/ac011218m PG 8 WC Chemistry, Analytical SC Chemistry GA 569FH UT WOS:000176589800017 PM 12141653 ER PT J AU Friese, JI Ritherdon, B Clark, SB Zhang, Z Rao, L Rai, D AF Friese, JI Ritherdon, B Clark, SB Zhang, Z Rao, L Rai, D TI Chromatographic separation and characterization of hydrolyzed Cr(III) species SO ANALYTICAL CHEMISTRY LA English DT Article ID PLASMA-MASS SPECTROMETRY; CAPILLARY-ELECTROPHORESIS; AQUEOUS-SOLUTION; METAL-IONS; CHROMIUM(III); SPECIATION; POLYMERIZATION; KINETICS; CATIONS AB Both macroscale and microscale-methods to separate hydrolyzed Cr(III) species from acidic to near-neutiral pH solutions have been developed. The macroscale approach is based on ion exchange, and involves separating monomeric, dimeric, trimeric, tetrameric, and higher order Cr(III) oligomers from such solutions using a gradient elution with increasing cationic charge. With this approach, the concentration of a Oven traction can be maximized, and complete resolution between these species can be achieved. In addition, complete recovery of Cr(III) from the column is achievable. For the microscale approach, capillary electrophoresis with indirect detection is used to isolate and uniquely identify the same smaller oligomers and a fraction of, larger,Cr(III) species that are not uniquely identified. Capillary electrophoresis also provides indirect structural information for the Cr(III) trimer, suggesting that it exists in a triangular configuration rather than, as a linear species.These methods are described in. detail, and possible applications are,discussed. C1 Washington State Univ, Dept Chem, Pullman, WA 99164 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Clark, SB (reprint author), Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA. RI Zhang, Zhicheng/B-3887-2010 NR 29 TC 15 Z9 17 U1 2 U2 15 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 JUL 1 PY 2002 VL 74 IS 13 BP 2977 EP 2984 DI 10.1021/ac0109772 PG 8 WC Chemistry, Analytical SC Chemistry GA 569FH UT WOS:000176589800019 PM 12141655 ER PT J AU Tipple, CA Lavrik, NV Culha, M Headrick, J Datskos, P Sepaniak, MJ AF Tipple, CA Lavrik, NV Culha, M Headrick, J Datskos, P Sepaniak, MJ TI Nanostructured microcantilevers with functionalized cyclodextrin receptor phases: Self-assembled monolayers and vapor-deposited films SO ANALYTICAL CHEMISTRY LA English DT Article ID MODIFIED CAPILLARY-ELECTROPHORESIS; MICROMACHINED CANTILEVERS; SURFACE STRESS; SENSORS; SELECTIVITY; SEPARATIONS; ARRAY; GOLD AB It is shown that the performance of microcantilver-based chemical sensors in a liquid environment is affected by altering cantilever surface morphology and receptor phase type and thickness. Self-assembled monolayers of thiolated beta-cyclodextrin (HM-beta-CD) and thin films of vapor-deposited heptakis (2,3-O-diacetyl-6-O-tertbutyl-dimethylsilyl)-beta-cyclodextrin (HDATB-beta-CD) were studied on smooth and nanostructured (dealloyed) gold-coated microcantilever surfaces. The dealloyed surface contains nanometer-sized features that enhance the transduction of molecular recognition events into cantilever response, as well as increase film stability for thicker films. Improvements in the limits of detection of the compound 2,3-dihydroxynaphthalene as great as 2 orders of magnitude have been achieved by manipulating surface morphology and film thickness. The observed response factors for the analytes studied varied from 0.02-604 nm/ppm, as determined by cantilever deflection. In general, calibration plots for the analytes were linear up to several hundred nanometers in cantilever deflections. 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. RI Lavrik, Nickolay/B-5268-2011 OI Lavrik, Nickolay/0000-0002-9543-5634 NR 36 TC 57 Z9 57 U1 0 U2 19 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 JUL 1 PY 2002 VL 74 IS 13 BP 3118 EP 3126 DI 10.1021/ac020074o PG 9 WC Chemistry, Analytical SC Chemistry GA 569FH UT WOS:000176589800036 PM 12141672 ER PT J AU Smith, AB AF Smith, AB TI The interaction of fast neutrons with hafnium SO ANNALS OF NUCLEAR ENERGY LA English DT Article ID ENERGY-DEPENDENCE; FINITE NUCLEI; SCATTERING AB Elemental hafnium neutron total cross sections are measured from approximate to0.75 to 4.5 MeV in steps of approximate to40 keV. Differential neutron elastic-scattering cross sections are measured from approximate to4.5 to 10.0 MeV in approximate to0.5 MeV steps and at 40 scattering angles distributed between approximate to17 and 160degrees. These data are combined with those found in the literature to construct a comprehensive experimental data base which is interpreted in terms of coupled-channels models. Physical characteristics of the resulting potentials are discussed. Comparisons are made with ENDF/B-6 (MAT 7200). A detailed report of this work is given by Smith (Smith, A., 2001. Argonne National Laboratory Report ANL/NDM-153). (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Argonne Natl Lab, Technol Dev Div, Argonne, IL 60439 USA. RP Smith, AB (reprint author), Argonne Natl Lab, Technol Dev Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 43 TC 6 Z9 6 U1 0 U2 0 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JUL PY 2002 VL 29 IS 10 BP 1241 EP 1252 AR PII S0306-4549(01)00101-3 DI 10.1016/S0306-4549(01)00101-3 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 536AD UT WOS:000174677800008 ER PT J AU Terry, WK Gougar, HD Ougouag, AM AF Terry, WK Gougar, HD Ougouag, AM TI Direct deterministic method for neutronics analysis and computation of asymptotic burnup distribution in a recirculating pebble-bed reactor SO ANNALS OF NUCLEAR ENERGY LA English DT Article ID HIGH-TEMPERATURE REACTORS AB A new deterministic method has been developed for the neutronics analysis of a pebble-bed reactor (PBR). The method accounts for the flow of pebbles explicitly and couples the flow to the neutronics. The method allows modeling of once-through cycles as well as cycles in which pebbles are recirculated through the core an arbitrary number of times. This new work is distinguished from older methods by the systematically semi-analytical approach it takes. In particular, whereas older methods use the finite-difference approach (or an equivalent one) for the discretization and the solution of the burnup equation, the present work integrates the relevant differential equation analytically in discrete and complementary sub-domains of the reactor. Like some of the finite-difference codes, the new method obtains the asymptotic fuel-loading pattern directly, without modeling any intermediate loading pattern. This is a significant advantage for the design and optimization of the asymptotic fuel-loading pattern. The new method is capable of modeling directly both the once-through-then-out fuel cycle and the pebble recirculating fuel cycle. Although it currently includes a finite-difference neutronics solver, the new method has been implemented into a modular code that incorporates the framework for the future coupling to an efficient solver such as a nodal method and to modern cross section preparation capabilities. In its current state, the deterministic method presented here is capable of quick and efficient design and optimization calculations for the in-core PBR fuel cycle. The method can also be used as a practical "scoping" tool. It could, for example, be applied to determine the potential of the PBR for resisting nuclear-weapons proliferation and to optimize proliferation-resistant features. However, the purpose of this paper is to show that the method itself is viable. Refinements to the code are under way, with the objective of producing a powerful reactor physics analysis tool for PBRs. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Idaho Natl Engn & Environm Lab, Nucl Engn Res & Design Div, Idaho Falls, ID 83415 USA. RP Terry, WK (reprint author), Idaho Natl Engn & Environm Lab, Nucl Engn Res & Design Div, POB 1625, Idaho Falls, ID 83415 USA. RI Ougouag, Abderrafi/A-9499-2009 OI Ougouag, Abderrafi/0000-0003-4436-380X NR 12 TC 18 Z9 19 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD JUL PY 2002 VL 29 IS 11 BP 1345 EP 1364 AR PII S0306-4549(01)00110-4 DI 10.1016/S0306-4549(01)00110-4 PG 20 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 537MN UT WOS:000174762200005 ER PT J AU Yarwood, RR Rockhold, ML Niemet, MR Selker, JS Bottomley, PJ AF Yarwood, RR Rockhold, ML Niemet, MR Selker, JS Bottomley, PJ TI Noninvasive quantitative measurement of bacterial growth in porous media under unsaturated-flow conditions SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PSEUDOMONAS-AERUGINOSA BIOFILM; CATABOLIC REPORTER BACTERIUM; SALICYLATE BIOAVAILABILITY; LIGHT TRANSMISSION; PUTIDA BIOFILMS; SYSTEMS; NAPHTHALENE; TRANSPORT; SOIL; BIOLUMINESCENCE AB Glucose-dependent growth of the luxCDABE reporter bacterium Pseudomonas fluorescens HK44 was monitored noninvasively in quartz sand under unsaturated-flow conditions within a 45- by 56- by 1-cm two-dimensional light transmission chamber. The spatial and temporal development of growth were mapped daily over 7 days by quantifying salicylate-induced bioluminescence. A nonlinear model relating the rate of increase in light emission after salicylate exposure to microbial density successfully predicted growth over 4 orders of magnitude (r(2) = 0.95). Total model-predicted growth agreed with growth calculated from the mass balance of the system by using previously established growth parameters of HK44 (predicted, 1.2 X 10(12) Cells; calculated, 1.7 X 10(12) cells). Colonization expanded in all directions from the inoculation region, including upward migration against the liquid flow. Both the daily rate of expansion of the colonized zone and the population density of the first day's growth in each newly colonized region remained relatively constant throughout the experiment. Nonetheless, substantial growth continued to occur on subsequent days in the older regions of the colonized zone. The proportion of daily potential growth that remained within the chamber declined progressively between days 2 and 7 (from 97 to 13%). A densely populated, anoxic region developed in the interior of the colonized zone even though the sand was unsaturated and fresh growth medium continued to flow through the colonized zone. These data illustrate the potential of a light transmission chamber, bioluminescent bacteria, and sensitive digital camera technology to noninvasively study real-time hydrology-microbiology interactions associated with unsaturated flow in porous media. C1 Oregon State Univ, Dept Microbiol, Corvallis, OR 97331 USA. Oregon State Univ, Dept Bioengn, Corvallis, OR 97331 USA. Oregon State Univ, Dept Crop & Soil Sci, Corvallis, OR 97331 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. CH2M Hill Inc, Corvallis, OR 97332 USA. RP Bottomley, PJ (reprint author), Oregon State Univ, Dept Microbiol, 220 Nash Hall, Corvallis, OR 97331 USA. OI Selker, John/0000-0001-9751-6094 NR 43 TC 20 Z9 21 U1 3 U2 10 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 JUL PY 2002 VL 68 IS 7 BP 3597 EP 3605 DI 10.1128/AEM.68.7.3597-3605.2002 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 569YV UT WOS:000176631600056 PM 12089048 ER PT J AU Magyarosy, A Laidlaw, RD Kilaas, R Echer, C Clark, DS Keasling, JD AF Magyarosy, A Laidlaw, RD Kilaas, R Echer, C Clark, DS Keasling, JD TI Nickel accumulation and nickel oxalate precipitation by Aspergillus niger SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article ID HEAVY-METAL BIOSORPTION; CADMIUM REMOVAL; SOLUBILIZATION; FUNGI; BIOMASS; COPPER; LEAD AB A strain of Aspergillus niger isolated from a metal-contaminated soil was able to grow in the presence of cadmium, chromium, cobalt, copper, and unusually high levels of nickel on solid (8.0 mM) and in liquid (6.5 mM) media. This fungus removed >98% of the nickel from liquid medium after 100 h of growth but did not remove the other metals, as determined by inductively coupled plasma spectroscopy. Experiments with non-growing, live fungal biomass showed that nickel removal was not due to biosorption alone, as little nickel was bound to the biomass at the pH values tested. Furthermore, when the protonophore carbonyl cyanide p-(trifluoremetoxy) phenyl hydrazone (FCCP) was added to the actively growing fungus nickel removal was inhibited, supporting the hypothesis that energy metabolism is essential for metal removal. Analytical electron microscopy of thin-sectioned fungal biomass revealed that metal removed from the broth was localized in the form of small rectangular crystals associated with the cell walls and also inside the cell. X-ray and electron diffraction analysis showed that these crystals were nickel oxalate dihydrate. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 43 TC 55 Z9 59 U1 2 U2 10 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0175-7598 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD JUL PY 2002 VL 59 IS 2-3 BP 382 EP 388 DI 10.1007/s00253-002-1020-x PG 7 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 580QU UT WOS:000177245900038 PM 12111174 ER PT J AU Rudolf, P Raval, R Dumas, P Williams, GP AF Rudolf, P Raval, R Dumas, P Williams, GP TI Vibrational dynamics of fullerene molecules adsorbed on metal surfaces studied with synchrotron infrared radiation SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID CHARGE-TRANSFER; ABSORPTION SPECTROSCOPY; INVERSE-PHOTOEMISSION; DOPED C-60; AU(110); TRANSITIONS; RESONANCES; ELECTRONS; STATES; K6C60 AB Infrared (IR) spectroscopy of chemisorbed C-60 On Ag (111), Au (110) and Cu (100) reveals that a non-IR-active mode becomes active upon adsorption, and that its frequency shifts proportionally with the charge transferred from the metal to the molecule by about 5 cm(-1) per electron. The temperature dependence of the frequency and the width of this IR feature have also been followed for C-60/Cu (100) and were found to agree well with a weak anharmonic coupling (dephasing) to a low-frequency mode, which we suggest to be the frustrated translational mode of the adsorbed molecules. Additionally, the adsorption is accompanied by a broadband reflectance change, which is interpreted as due to the scattering of conduction electrons of the metal surface by the adsorbate. The reflectance change allows determination of the friction coefficient of the C-60 molecules, which results in rather small values (similar to 2 x 10(9) s(-1) for Ag and Au, and similar to 1.6 x 10(9) s(-1) for Cu), consistent with a marked metallic character of the adsorbed molecules. Pre-dosing of alkali atoms onto the metal substrates drastically changes the IR spectra recorded during subsequent C-60 deposition: anti-absorption bands, as well as an increase of the broadband reflectance, occur and are interpreted as due to strong electron-phonon coupling with induced surface states. C1 Fac Univ Notre Dame Paix, Lab Interdisciplinaire Spect Elect, B-5000 Namur, Belgium. Univ Liverpool, Dept Chem, Leverhulme Ctr, Liverpool L69 7ZD, Merseyside, England. Univ Liverpool, Dept Chem, Surface Sci Res Ctr, Liverpool L69 7ZD, Merseyside, England. Ctr Univ Paris Sud, LURE, F-91898 Orsay, France. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Rudolf, P (reprint author), Fac Univ Notre Dame Paix, Lab Interdisciplinaire Spect Elect, 61 Rue Bruxelles, B-5000 Namur, Belgium. RI Rudolf, Petra/E-6434-2014 OI Rudolf, Petra/0000-0002-4418-1769 NR 36 TC 18 Z9 18 U1 0 U2 10 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD JUL PY 2002 VL 75 IS 1 BP 147 EP 153 DI 10.1007/s003390101063 PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 547WU UT WOS:000175356400015 ER PT J AU Bernstein, AC Luk, TS Nelson, TR McPherson, A Diels, JC Cameron, SM AF Bernstein, AC Luk, TS Nelson, TR McPherson, A Diels, JC Cameron, SM TI Asymmetric ultra-short pulse splitting measured in air using FROG SO APPLIED PHYSICS B-LASERS AND OPTICS LA English DT Article ID NONLINEAR DISPERSIVE MEDIA; FEMTOSECOND LASER-PULSES; TRANSPARENT MATERIALS; MOVING-FOCUS; PROPAGATION; FILAMENTATION; DYNAMICS AB Frequency-resolved optical gating is used to measure non-linear ultra-short pulse propagation in air over a distance of up to 4.35 m. During spatial collapse of the pulse, both pulse steepening and asymmetric pulse splitting are observed to occur at a power level of about 14 GW and at a propagation distance less than the diffraction length. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. RP Bernstein, AC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 25 TC 15 Z9 15 U1 0 U2 2 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 0946-2171 J9 APPL PHYS B-LASERS O JI Appl. Phys. B-Lasers Opt. PD JUL PY 2002 VL 75 IS 1 BP 119 EP 122 DI 10.1007/s00340-002-0929-1 PG 4 WC Optics; Physics, Applied SC Optics; Physics GA 609TR UT WOS:000178921100020 ER PT J AU Meunier, V Roland, C Bernholc, J Nardelli, MB AF Meunier, V Roland, C Bernholc, J Nardelli, MB TI Electronic and field emission properties of boron nitride/carbon nanotube superlattices SO APPLIED PHYSICS LETTERS LA English DT Article ID CARBON NANOTUBES; HETEROJUNCTIONS AB BN/C nanotube superlattices are quasi one-dimensional heterostructures that show unique physical properties derived from their peculiar geometry. Using state-of-the-art ab initio calculations, we show that BN/C systems can be used for effective band-offset nanodevice engineering, polarization-based devices, and robust field emitters with an efficiency enhanced by up to two orders of magnitude over carbon nanotube systems. (C) 2002 American Institute of Physics. C1 N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Ctr Computat Sci, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Computat Sci & Math Div, Oak Ridge, TN 37830 USA. RP Meunier, V (reprint author), N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. RI Buongiorno Nardelli, Marco/C-9089-2009; Meunier, Vincent/F-9391-2010 OI Meunier, Vincent/0000-0002-7013-179X NR 22 TC 47 Z9 47 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 1 PY 2002 VL 81 IS 1 BP 46 EP 48 DI 10.1063/1.1491013 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000016 ER PT J AU Cheong, HM Kim, D Hanna, MC Mascarenhas, A AF Cheong, HM Kim, D Hanna, MC Mascarenhas, A TI Effect of doping on photoluminescence upconversion in GaAs/AlxGa1-xAs heterostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID ANTI-STOKES PHOTOLUMINESCENCE; ENERGY UP-CONVERSION; INTERFACE; HETEROJUNCTION AB We report on the effect of doping on the efficiency of the upconverted photoluminescence (UPL) from GaAs/AlGaAs heterostructures. The UPL intensity is enhanced when the AlGaAs layer is remotely doped with holes. It indicates that the rate-limiting process for the upconversion is the excitation of holes. Our result shows that one has to be careful in interpreting the excitation power dependence of the UPL intensity because dissimilar excitation efficiencies for electrons and holes and a possible background doping of the samples can significantly modify the excitation power dependence. (C) 2002 American Institute of Physics. C1 Sogang Univ, Dept Phys, Seoul 121742, South Korea. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Cheong, HM (reprint author), Sogang Univ, Dept Phys, Seoul 121742, South Korea. RI Cheong, Hyeonsik/D-7424-2012; Kim, Doseok/J-8776-2013 OI Cheong, Hyeonsik/0000-0002-2347-4044; NR 11 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 1 PY 2002 VL 81 IS 1 BP 58 EP 60 DI 10.1063/1.1491303 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000020 ER PT J AU Kilic, C Zunger, A AF Kilic, C Zunger, A TI n-type doping of oxides by hydrogen SO APPLIED PHYSICS LETTERS LA English DT Article ID TOTAL-ENERGY; BAND-GAPS; SEMICONDUCTORS; THERMOREFLECTANCE; IMPURITIES; FORMALISM; STATES; CDO; MGO AB First-principles total-energy calculations suggest that interstitial hydrogen impurity forms a shallow donor in SnO2, CdO, and ZnO, but a deep donor in MgO. We generalize this result to other oxides by recognizing that there exist a "hydrogen pinning level" at about 3.0+/-0.4 eV below vacuum. Materials such as Ag2O, HgO, CuO, PbO, PtO, IrO2, RuO2, PbO2, TiO2, WO3, Bi2O3, Cr2O3, Fe2O3, Sb2O3, Nb2O5, Ta2O5, FeTiO3, and PbTiO3, whose conduction band minimum (CBM) lie below this level (i.e., electron affinity>3.0+/-0.4 eV) will become conductive once hydrogen is incorporated into the lattice, without reducing the host. Conversely, materials such as BaO, NiO, SrO, HfO2, and Al2O3, whose CBM lie above this level (i.e., electron affinity<3.0+/-0.4 eV) will remain nonconductive since hydrogen forms a deep impurity. (C) 2002 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Natl Renewable Energy Lab, Golden, CO 80401 USA. EM ckilic@nrel.gov; azunger@nrel.gov RI Kilic, Cetin/E-1336-2011; Zunger, Alex/A-6733-2013 OI Kilic, Cetin/0000-0003-2690-4940; NR 28 TC 193 Z9 195 U1 14 U2 168 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 JUL 1 PY 2002 VL 81 IS 1 BP 73 EP 75 DI 10.1063/1.1482783 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000025 ER PT J AU Jia, QX Park, BH Gibbons, BJ Huang, JY Lu, P AF Jia, QX Park, BH Gibbons, BJ Huang, JY Lu, P TI Dielectric response and structural properties of TiO2-doped Ba0.6Sr0.4TiO3 films SO APPLIED PHYSICS LETTERS LA English DT Article ID BA0.5SR0.5TIO3 THIN-FILMS; TUNABLE MICROWAVE DEVICES; ELECTRICAL-PROPERTIES; ROOM-TEMPERATURE AB Dielectric Ba0.6Sr0.4TiO3 films doped with different weight percentages of TiO2 were deposited by pulsed-laser deposition. The dielectric constant, dielectric loss, and the dielectric tunability of the films were found to be a strong function of the weight ratio of TiO2/Ba0.6Sr0.4TiO3. Compared to the pure Ba0.6Sr0.4TiO3, the TiO2-doped Ba0.6Sr0.4TiO3 exhibits lower dielectric loss while maintaining a significantly adjustable dielectric constant and desirable capacitance tunability. The change of the dielectric properties of TiO2-doped Ba0.6Sr0.4TiO3 films is closely related to the change in microstructure of the films as revealed by transmission electron microscopy. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. New Mexico Tecn, Dept Mat Sci, Socorro, NM 87801 USA. RP Jia, QX (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, MS K763, Los Alamos, NM 87545 USA. RI Huang, Jianyu/C-5183-2008; Park, Bae Ho/D-4840-2011; Jia, Q. X./C-5194-2008 NR 14 TC 20 Z9 22 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 1 PY 2002 VL 81 IS 1 BP 114 EP 116 DI 10.1063/1.1491287 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000039 ER PT J AU Bayindir, M Aydin, K Ozbay, E Markos, P Soukoulis, CM AF Bayindir, M Aydin, K Ozbay, E Markos, P Soukoulis, CM TI Transmission properties of composite metamaterials in free space SO APPLIED PHYSICS LETTERS LA English DT Article ID LOW-FREQUENCY PLASMONS; LEFT-HANDED MATERIALS; PHOTONIC CRYSTALS; VERIFICATION; PERMEABILITY; PERMITTIVITY; REFRACTION; INDEX AB We propose and demonstrate a type of composite metamaterial which is constructed by combining thin copper wires and split ring resonators (SRRs) on the same board. The transmission measurements performed in free space exhibit a passband within the stop bands of SRRs and thin wire structures. The experimental results are in good agreement with the predictions of the transfer matrix method simulations. (C) 2002 American Institute of Physics. C1 Bilkent Univ, Dept Phys, TR-06533 Bilkent, Turkey. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys, Ames, IA 50011 USA. FORTH, IESL, Res Ctr Crete, Iraklion, Greece. RP Bilkent Univ, Dept Phys, TR-06533 Bilkent, Turkey. EM bayindir@fen.bilkent.edu.tr RI Ozbay, Ekmel/B-9495-2008; Aydin, Koray/D-5100-2009; Aydin, Koray/G-2537-2011; Soukoulis, Costas/A-5295-2008 OI Aydin, Koray/0000-0002-3268-2216; NR 23 TC 171 Z9 180 U1 2 U2 32 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 JUL 1 PY 2002 VL 81 IS 1 BP 120 EP 122 DI 10.1063/1.1492009 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000041 ER PT J AU Zhang, L Melechko, AV Merkulov, VI Guillorn, MA Simpson, ML Lowndes, DH Doktycz, MJ AF Zhang, L Melechko, AV Merkulov, VI Guillorn, MA Simpson, ML Lowndes, DH Doktycz, MJ TI Controlled transport of latex beads through vertically aligned carbon nanofiber membranes SO APPLIED PHYSICS LETTERS LA English DT Article ID MICROLITHOGRAPHIC ARRAYS AB Stripes of vertically aligned carbon nanofibers (VACNFs) have been used to form membranes for size selectively controlling the transport of latex beads. Fluidic structures were created in poly(dimethylsiloxane) (PDMS) and interfaced to the VACNF structures for characterization of the membrane pore size. Solutions of fluorescently labeled latex beads were introduced into the PDMS channels and characterized by fluorescence and scanning electron microscopy. Results show that the beads size selectively pass through the nanofiber barriers and the size restriction limit correlates with the interfiber spacing. The results suggest that altering VACNF array density can alter fractionation properties of the membrane. Such membranes may be useful for molecular sorting and for mimicking the properties of natural membranes. (C) 2002 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Solid State, Thin Film & Nanostruct Mat Phys Grp, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Molec Scale Engn Nanoscale Technol Grp, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA. Univ Tennessee, Dept Elect & Comp Engn, Knoxville, TN 37996 USA. RP Zhang, L (reprint author), Oak Ridge Natl Lab, Div Life Sci, POB 2008,MS 6123, Oak Ridge, TN 37831 USA. RI Melechko, Anatoli/B-8820-2008; Doktycz, Mitchel/A-7499-2011; Simpson, Michael/A-8410-2011 OI Doktycz, Mitchel/0000-0003-4856-8343; Simpson, Michael/0000-0002-3933-3457 NR 10 TC 49 Z9 50 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 1 PY 2002 VL 81 IS 1 BP 135 EP 137 DI 10.1063/1.1490142 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000046 ER PT J AU Kanemitsu, Y Inagaki, TJ Ando, M Matsuda, K Saiki, T White, CW AF Kanemitsu, Y Inagaki, TJ Ando, M Matsuda, K Saiki, T White, CW TI Photoluminescence spectrum of highly excited single CdS nanocrystals studied by a scanning near-field optical microscope SO APPLIED PHYSICS LETTERS LA English DT Article ID ASSEMBLED QUANTUM DOTS; ION-BEAM SYNTHESIS; MATRICES; STATES AB Many-body effects in strongly photoexcited single CdS nanocrystals embedded in Al2O3 matrices have been studied by a scanning near-field optical microscope at low temperatures. Under weak excitations, we find a sharp photoluminescence (PL) band originating from the exciton recombination. With an increase of the excitation laser energy, the PL intensity increases and the broad PL band is superimposed on the exciton-related sharp PL band. From a theoretical analysis, it was concluded that the broadening of the PL band is due to electron-hole pairs in CdS nanocrystals. The many-body effects of correlated exciton systems in CdS nanocrystals will be discussed. (C) 2002 American Institute of Physics. C1 Nara Inst Sci & Technol, Grad Sch Mat Sci, Nara 6300101, Japan. Kanagawa Acad Sci & Technol, Kawasaki, Kanagawa 2130012, Japan. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Nara Inst Sci & Technol, Grad Sch Mat Sci, Nara 6300101, Japan. EM sunyu@ms.aist-nara.ac.jp NR 15 TC 13 Z9 13 U1 0 U2 2 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 JUL 1 PY 2002 VL 81 IS 1 BP 141 EP 143 DI 10.1063/1.1490141 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000048 ER PT J AU Cunningham, MF Ullom, JN Miyazaki, T Labov, SE Clarke, J Lanting, TM Lee, AT Richards, PL Yoon, J Spieler, H AF Cunningham, MF Ullom, JN Miyazaki, T Labov, SE Clarke, J Lanting, TM Lee, AT Richards, PL Yoon, J Spieler, H TI High-resolution operation of frequency-multiplexed transition-edge photon sensors SO APPLIED PHYSICS LETTERS LA English DT Article ID BOLOMETER; ARRAYS; RAY AB We present the multiplexed readout of two gamma-ray microcalorimeters made from transition-edge sensors. We use a frequency-domain multiplexing scheme in which each sensor is biased at an identifying frequency. We show that the energy resolution of the sensors is unaffected by multiplexing, and that crosstalk between the sensors is negligible. Our results indicate the feasibility of multiplexing 30 sensors or more to one readout line. (C) 2002 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. RP Cunningham, MF (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Miyazaki, Toshiyuki/L-6587-2015 OI Miyazaki, Toshiyuki/0000-0002-1727-7562 NR 13 TC 63 Z9 63 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 1 PY 2002 VL 81 IS 1 BP 159 EP 161 DI 10.1063/1.1489486 PG 3 WC Physics, Applied SC Physics GA 566KB UT WOS:000176426000054 ER PT J AU Silver, GL AF Silver, GL TI Acidity changes and balanced equations for plutonium disproportionation reactions SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE plutonium; disproportionation; proportional equations; balanced equations; conservation principles ID PENTAVALENT PLUTONIUM; STABILITY AB Disproportionation reactions in plutonium solutions alter the solution acidity. The acidity after reaction is related to the changes in the concentrations of the plutonyl cations. The final acidity can be estimated by a BASIC language program or by the method of proportional equations. The method is used to illustrate balanced equations for disproportionation reactions. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Silver, GL (reprint author), Los Alamos Natl Lab, POB 1663,MS E502, Los Alamos, NM 87545 USA. NR 15 TC 10 Z9 10 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD JUL PY 2002 VL 57 IS 1 BP 1 EP 5 AR PII S0969-8043(01)00260-3 DI 10.1016/S0969-8043(01)00260-3 PG 5 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 562QZ UT WOS:000176211600001 PM 12137018 ER PT J AU Omberg, KM Osborn, JC Zhang, SLL Freyer, JP Mourant, JR Schoonover, JR AF Omberg, KM Osborn, JC Zhang, SLL Freyer, JP Mourant, JR Schoonover, JR TI Raman spectroscopy and factor analysis of tumorigenic and non-tumorigenic cells SO APPLIED SPECTROSCOPY LA English DT Article DE Raman spectroscopy; Fourier transform Raman; tumor formation; factor analysis ID MULTICELLULAR TUMOR SPHEROIDS; MYELOID-LEUKEMIA; SKIN-LESIONS; BREAST; CYCLE; FIBROBLASTS; DIAGNOSIS; CARCINOMA AB Raman spectra, measured for viable suspensions of M1 and MR1 cells, demonstrate spectral differences correlating with an increased protein and phospholipid content relative to DNA in the MR1 cells. The M1 and MR1 cell lines consist of rat fibroblast cells that have been transfected with a gene causing immortality, and the MR1 line has been further transfected with a gene causing tumor formation. The cell suspensions were prepared from monolayer cultures in the same phase of growth and remained viable throughout the experiment. The Raman data have been further examined by principal factor analysis with two approaches, (1) a constrained analysis to provide a relative contribution to the Raman data from cellular components, and (2) analysis of differences in the raw data files of the two cell lines. Utilizing the constrained principal factor analysis for the two cell lines analyzed separately provides a measure of the relative contribution of protein, lipid, DNA, RNA, and buffer to the cell Raman spectra. Factor analysis of M1 and MR1 Raman spectra analyzed together demonstrates that the two cell lines can be differentiated by Raman spectroscopy with no prior spectral processing. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Unilever Res, Edgewater, NJ 07020 USA. RP Schoonover, JR (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RI Omberg, Kristin/I-5972-2013 NR 20 TC 30 Z9 30 U1 0 U2 6 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD JUL PY 2002 VL 56 IS 7 BP 813 EP 819 DI 10.1366/000370202760171464 PG 7 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 578UT UT WOS:000177139500003 ER PT J AU Wehlburg, CM Haaland, DM Melgaard, DK AF Wehlburg, CM Haaland, DM Melgaard, DK TI New hybrid algorithm for transferring multivariate quantitative calibrations of intra-vendor near-infrared spectrometers SO APPLIED SPECTROSCOPY LA English DT Article DE near-infrared spectra; Multivariate calibration; prediction-augmented classical least squares; PACLS; partial least squares; PLS; CLS/PLS hybrid algorithm; transfer of calibration; maintenance of calibration; subset recalibration; piecewise direct standardization; PDS ID LEAST-SQUARES METHODS; SPECTRAL ANALYSES; INSTRUMENT STANDARDIZATION; REFLECTANCE; MODELS AB A new prediction-augmented classical least-squares/partial least-squares (PACLS/PLS) hybrid algorithm is ideally suited for use in transferring multivariate calibrations between spectrometers. Spectral variations such as instrument response differences can be explicitly incorporated into the algorithm through the use of subset sample spectra collected on both spectrometers. Two current calibration transfer methods, subset recalibration and piecewise direct standardization (PDS), also utilize subset sample spectra to facilitate transfer of calibration. The three methods were applied to the transfer of quantitative multivariate calibration models for near-infrared (NIR) data of organic samples containing chlorobenzene, heptane, and toluene between a primary and three secondary spectrometers that were all the same model, called intra-vendor transfer of calibration. The hybrid PACLS/PLS method outperformed subset recalibration and provided predictions equivalent to PDS with additive background correction on the two secondary spectrometers whose instrument drift appeared to be dominated by simple linear baseline variations. One of the secondary spectrometers had complex instrument drift that was captured by repeatedly measuring the spectrum of a single repeat sample. In calculating a transfer function to correct prediction spectra, PDS assumes no instrumental drift on the secondary spectrometer. Therefore, PDS was unable to directly accommodate both the subset samples and the use of a single repeat sample to transfer and maintain a calibration on that secondary instrument. In order to implement the transfer of calibration with PDS in the presence of complex instrument drift, recalibrated PLS models that included the repeat spectra from the secondary spectrometer were used to predict the spectra transformed by PDS. The importance of correcting for drift on the secondary spectrometer during calibration transfer was illustrated by the improvements in prediction for all three methods vs. using only the instrument response differences derived from the subset sample spectra. When the effects of instrument drift were complex on the secondary spectrometer, the PACLS/PLS hybrid algorithm outperformed both PDS and subset recalibration. Through the explicit incorporation of spectral variations, due to instrument response differences and drift on the secondary spectrometer, the PACLS/PLS algorithm was successful at intra-vendor transfer of calibrations between NIR spectrometers. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wehlburg, CM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 21 TC 18 Z9 18 U1 3 U2 4 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD JUL PY 2002 VL 56 IS 7 BP 877 EP 886 DI 10.1366/000370202760171554 PG 10 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 578UT UT WOS:000177139500012 ER PT J AU Glagolenko, IY Carney, KP Kern, S Goremychkin, EA AF Glagolenko, IY Carney, KP Kern, S Goremychkin, EA TI Quantitative determination of zirconium hydride in a zirconium oxide matrix by neutron vibrational spectroscopy SO APPLIED SPECTROSCOPY LA English DT Article DE metal corrosion; neutron vibrational spectroscopy; incoherent inelastic scattering from hydrogen; zirconium hydride ID SCATTERING C1 Argonne Natl Lab W, Idaho Falls, ID 83403 USA. Idaho State Univ, Pocatello, ID 83201 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Argonne Natl Lab E, Argonne, IL 60439 USA. RP Carney, KP (reprint author), Argonne Natl Lab W, Idaho Falls, ID 83403 USA. NR 23 TC 0 Z9 0 U1 2 U2 7 PU SOC APPLIED SPECTROSCOPY PI FREDERICK PA 201B BROADWAY ST, FREDERICK, MD 21701 USA SN 0003-7028 J9 APPL SPECTROSC JI Appl. Spectrosc. PD JUL PY 2002 VL 56 IS 7 BP 942 EP 947 DI 10.1366/000370202760171644 PG 6 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 578UT UT WOS:000177139500021 ER PT J AU Dong, WJ Carter, GA Barber, JT AF Dong, WJ Carter, GA Barber, JT TI Spectral reflectance of Lemna gibba fronds exposed to ethylene glycol SO AQUATIC BOTANY LA English DT Article DE duckweed; ethylene glycol; Lemna gibba; reflectance; spectrum ID LEAF OPTICAL-PROPERTIES; TOXICITY AB Spectroradiometry was used to quantify changes in duckweed frond reflectance that occurred throughout the 400-850 nm spectrum under various ethylene glycol (EG) concentrations and exposure times. The threshold concentration of EG at which a reflectance change could be detected was between 35 and 40 mM (P less than or equal to 0.01), approximately, the same as by visual observation. EG-induced changes in frond reflectance were maximal at concentrations of 50 mM or greater. Reflectance changes were detectable within 24 h of exposure to 100 mM EG, 2-3 days prior to changes in frond appearance. Thus, spectroradiometry of duckweed may serve as a rapid and sensitive technique for detection of ecosystem exposure to EG and perhaps other stress agents. Published by Elsevier Science B.V. C1 NASA, Earth Sci Applicat Directorate, Stennis Space Ctr, MS 39529 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Tulane Univ, Dept Ecol & Evolutionary Biol, New Orleans, LA 70118 USA. RP Carter, GA (reprint author), NASA, Earth Sci Applicat Directorate, Stennis Space Ctr, MS 39529 USA. NR 19 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3770 J9 AQUAT BOT JI Aquat. Bot. PD JUL PY 2002 VL 73 IS 3 BP 275 EP 281 AR PII S0304-3770(02)00026-8 DI 10.1016/S0304-3770(02)00026-8 PG 7 WC Plant Sciences; Marine & Freshwater Biology SC Plant Sciences; Marine & Freshwater Biology GA 578NP UT WOS:000177124800008 ER PT J AU Kumar, S Fisk, WJ AF Kumar, S Fisk, WJ TI IEQ and the impact on employee sick leave SO ASHRAE JOURNAL LA English DT Article AB When selecting minimum ventilation rates, employers should balance the well-recognized energy costs of providing higher minimum ventilation rates with the expected, but less well quantified, health benefits from a higher ventilation rate. This is a summary of the paper by Milton, et al.(1) that found low employee sick leave associated with high ventilation rates in a set of buildings located in Massachusetts. A simple cost-benefit analysis also is presented. C1 Lawrence Berkeley Natl Lab, Engn Anal Dept, Washington, DC USA. Lawrence Berkeley Natl Lab, Indoor Environm Dept, Berkeley, CA USA. RP Kumar, S (reprint author), Lawrence Berkeley Natl Lab, Engn Anal Dept, Washington, DC USA. NR 2 TC 2 Z9 2 U1 0 U2 2 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 JUL PY 2002 VL 44 IS 7 BP 97 EP 98 PG 2 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 572LQ UT WOS:000176776500009 ER PT J AU Richards, GT Berk, DEV Reichard, TA Hall, PB Schneider, DP SubbaRao, M Thakar, AR York, DG AF Richards, GT Berk, DEV Reichard, TA Hall, PB Schneider, DP SubbaRao, M Thakar, AR York, DG TI Broad emission-line shifts in quasars: An orientation measure for radio-quiet quasars? SO ASTRONOMICAL JOURNAL LA English DT Article DE line : formation; line : profiles; quasars : emission lines; quasars : general ID ACTIVE GALACTIC NUCLEI; DIGITAL SKY SURVEY; SEYFERT-GALAXIES; STELLAR OBJECTS; ABSORPTION-LINE; QSO SPECTRA; DISK WINDS; REGION; PROFILES; REDSHIFT AB Using a sample of 3814 quasars from the Early Data Release of the Sloan Digital Sky Survey, we confirm that high-ionization, broad emission lines, such as C IV are significantly blueshifted with respect to low-ionization, broad emission lines, such as Mg II which are thought to be close to the systemic redshift. We examine the velocity shifts of the Mg II and C iv emission lines with respect to [O III and Mg II respectively. C iv emission-line peaks have a range of shifts from a redshift of 500 km s(-1) to blueshifts well in excess of 2000 km s(-1) as compared with Mg II We confirm previous results that suggest an anticorrelation between the shift of the C iv emission-line peak and the rest equivalent width of the C iv emission line. Furthermore, by creating composite quasar spectra as a function of C iv shift, we are able to study in detail the profiles of the line as a function of velocity shift. We find that the apparent shift of the C iv emission-line peak is not a shift so much as it is a lack of flux in the red wing for the composite with the largest apparent shift. This observation should strongly constrain models for the broad emission-line region in quasars. The emission-line blueshift and equivalent width of C iv are also discussed in light of the well-known anticorrelation between the equivalent width of C iv emission and continuum luminosity, otherwise known as the Baldwin effect. We further discuss the C iv emission-line shift as a function of other quasar properties, such as spectral index, radio and X-ray detection. We find a possible correlation between the C iv emission-line shifts and the radio properties of the quasars, which is suggestive of orientation as the cause of the C iv velocity shifts. Finally, we explore whether the C iv emission-line blueshifts correlate with the presence of broad absorption line absorption troughs or with narrow, associated absorption, and how these might be related to orientation. C1 Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Pontificia Univ Catolica Chile, Fac Fis, Dept Astron & Astrofis, Santiago 22, Chile. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Richards, GT (reprint author), Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. NR 62 TC 243 Z9 243 U1 1 U2 5 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 JUL PY 2002 VL 124 IS 1 BP 1 EP 17 DI 10.1086/341167 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 563UA UT WOS:000176272900001 ER PT J AU Minniti, D Barbuy, B Hill, V Bica, E Ortolani, S Rich, RM Cook, KH Vandehei, T Renzini, A Pasquini, L Bennett, D AF Minniti, D Barbuy, B Hill, V Bica, E Ortolani, S Rich, RM Cook, KH Vandehei, T Renzini, A Pasquini, L Bennett, D TI VLT-UVES spectroscopy of a bulge giant magnified through microlensing: EROS-BLG-2000-5 (vol 384, pg 884, 2002) SO ASTRONOMY & ASTROPHYSICS LA English DT Correction C1 Univ Sao Paulo, Dept Astron, BR-01060970 Sao Paulo, Brazil. Pontificia Univ Catolica Chile, Dept Astron & Astrophys, Santiago 22, Chile. Observ Paris, F-92195 Meudon, France. Univ Fed Rio Grande Sul, Dept Astron, BR-91501970 Porto Alegre, RS, Brazil. Univ Padua, Dipartimento Astron, I-35122 Padua, Italy. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. European So Observ, D-85748 Garching, Germany. Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Barbuy, B (reprint author), Univ Sao Paulo, Dept Astron, CP 3386, BR-01060970 Sao Paulo, Brazil. NR 1 TC 1 Z9 1 U1 0 U2 0 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUL PY 2002 VL 389 IS 2 BP 419 EP 419 DI 10.1051/0004-6361:20020718 PG 1 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 573EW UT WOS:000176817200012 ER PT J AU Poirier, J Roesler, S Fasso, A AF Poirier, J Roesler, S Fasso, A TI Distributions of secondary muons at sea level from cosmic gamma rays below 10 TeV SO ASTROPARTICLE PHYSICS LA English DT Article DE air shower simulation; gamma rays; muons ID AIR SHOWERS AB The FLUKA Monte Carlo program is used to predict the distributions of the muons which originate from primary cosmic gamma rays and reach sea level. The main result is the angular distribution of muons produced by vertical gamma rays which is necessary to predict the inherent angular resolution of any instrument utilizing muons to infer properties of gamma ray primaries. Furthermore. various physical effects are discussed which affect these distributions in differing proportions. (C) 2002 Elsevier Science B.V. All rights reserved. C1 CERN, EPIAIP, CH-1211 Geneva 23, Switzerland. Univ Notre Dame, Dept Phys, Ctr Astrophys, Notre Dame, IN 46556 USA. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Fasso, A (reprint author), CERN, EPIAIP, CH-1211 Geneva 23, Switzerland. NR 19 TC 7 Z9 7 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 J9 ASTROPART PHYS JI Astropart Phys. PD JUL PY 2002 VL 17 IS 4 BP 441 EP 458 AR PII S0927-6505(01)00174-8 DI 10.1016/S0927-6505(01)00174-8 PG 18 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 562LR UT WOS:000176198700007 ER PT J AU Alcock, C Allsman, RA Alves, DR Becker, AC Bennett, DP Cook, KH Drake, AJ Freeman, KC Griest, K Hawley, SL Keller, S Lehner, MJ Lepischak, D Marshall, SL Minniti, D Nelson, CA Peterson, BA Popowski, P Pratt, MR Quinn, PJ Rodgers, AW Suntzeff, N Sutherland, W Vandehei, T Welch, DL AF Alcock, C Allsman, RA Alves, DR Becker, AC Bennett, DP Cook, KH Drake, AJ Freeman, KC Griest, K Hawley, SL Keller, S Lehner, MJ Lepischak, D Marshall, SL Minniti, D Nelson, CA Peterson, BA Popowski, P Pratt, MR Quinn, PJ Rodgers, AW Suntzeff, N Sutherland, W Vandehei, T Welch, DL CA MACHO Collaboration TI The MACHO project Large Magellanic Cloud variable star inventory. XII. Three Cepheid variables in eclipsing binaries SO ASTROPHYSICAL JOURNAL LA English DT Article DE binaries : eclipsing; Cepheids; Magellanic Clouds; stars : AGB and post-AGB; stars : oscillations ID OVERTONE; CALIBRATION; EXTINCTION; POPULATION; DIAMETERS; PULSATION; CATALOG; MODELS; COLORS; CAS AB We present a method for solving the light curve of an eclipsing binary system that contains a Cepheid variable as one of its components as well as the solutions for three eclipsing Cepheids in the Large Magellanic Cloud (LMC). A geometric model is constructed in which the component stars are assumed to be spherical and on circular orbits. The emergent system flux is computed as a function of time, with the intrinsic variations in temperature and radius of the Cepheid treated self-consistently. Fitting the adopted model to photometric observations, incorporating data from multiple bandpasses, yields a single parameter set best describing the system. This method is applied to three eclipsing Cepheid systems from the MACHO project LMC database: MACHO 6.6454.5, 78.6338.24, and 81.8997.87. A best-fit value is obtained for each systems orbital period and inclination and for the relative radius, color, and limb-darkening coefficients of each star. Pulsation periods and parameterizations of the intrinsic color variations of the Cepheids are also obtained, and the amplitude of the radial pulsation of each Cepheid is measured directly. The system 6.6454.5 is found to contain a 4.97 day Cepheid, which cannot be definitely classified as type I or type II, with an unexpectedly brighter companion. The system 78.6338.24 consists of a 17.7 day, W Virginis class type II Cepheid with a smaller, dimmer companion. The system 81.8997.87 contains an intermediate-mass, 2.03 day overtone Cepheid with a dimmer, red giant secondary. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Ctr Particle Astrophys, Berkeley, CA 94720 USA. Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. Australian Natl Univ, Canberra, ACT 0200, Australia. Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Univ Washington, Dept Phys, Seattle, WA 98195 USA. Bell Labs, Lucent Technol, Murray Hill, NJ 07974 USA. Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. Res Sch Astron & Astrophys, Weston, ACT 2611, Australia. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Univ Sheffield, Dept Phys, Sheffield S3 7RH, S Yorkshire, England. McMaster Univ, Hamilton, ON L8S 4M1, Canada. Pontificia Univ Catolica Chile, Dept Astron, Santiago, Chile. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Max Planck Inst Astrophys, D-85741 Garching, Germany. MIT, Ctr Space Res, Cambridge, MA 02139 USA. European So Observ, D-85748 Garching, Germany. Natl Opt Astron Observ, Cerro Tololo Inter Amer Observ, La Serena, Chile. Univ Oxford, Dept Phys, Oxford OX1 3RH, England. RP Alcock, C (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Quinn, Peter/B-3638-2013; OI Lehner, Matthew/0000-0003-4077-0985 NR 30 TC 21 Z9 21 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 JUL 1 PY 2002 VL 573 IS 1 BP 338 EP 350 DI 10.1086/340560 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 564YD UT WOS:000176340400032 ER PT J AU Alves, DR Rejkuba, M Minniti, D Cook, KH AF Alves, DR Rejkuba, M Minniti, D Cook, KH TI K-band red clump distance to the Large Magellanic Cloud SO ASTROPHYSICAL JOURNAL LA English DT Article DE distance scale; galaxies : distances and redshifts; galaxies : individual (Large Magellanic Cloud); Hertzsprung-Russell diagram; stars : horizontal-branch ID GRAVITATIONAL LENSING EXPERIMENT; HUBBLE-SPACE-TELESCOPE; STELLAR POPULATIONS; STARS; CALIBRATION; MAPS; DUST AB The Hipparcos I-band calibration of horizontal-branch red clump giants as standard candles has lead to controversial results for the distance to the Large Magellanic Cloud (LMC). In an attempt to properly ascertain the corrections for interstellar extinction and clump age and metallicity, we analyze new multiwavelength luminosity functions of the LMC red clump. Our photometry data set in the K band was obtained with the Son of Isaac infrared imager at the European Southern Observatory's New Technology Telescope. In the V and I passbands, we employ data from the Wide Field Planetary Camera 2 on board the Hubble Space Telescope. The LMC red clump is first identified in a K, (V-K) color-magnitude diagram. Our luminosity functions yield apparent magnitudes of K = 16.974, I = 18.206, and V = 19.233 (+/-0.009(r) +/- 0.02(s); random and systematic errors, respectively). Compared directly to the Hipparcos red clump calibration (without a correction for age and metallicity), the LMC clump measurements imply a negative interstellar reddening correction. This unphysical result indicates a population difference between clumps. A modified calibration based on theoretical modeling yields an average reddening correction of E(B-V) = 0.089 +/- 0.015(r) and a true LMC distance modulus of mu(0) = 18.493 +/- 0.033(r) +/- 0.03(s). We reconcile our result with the short distance previously derived from OGLE II red clump data. C1 Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. European So Observ, D-85748 Garching, Germany. Pontificia Univ Catolica Chile, Dept Astron & Astrofis, Santiago 22, Chile. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Alves, DR (reprint author), Columbia Univ, Columbia Astrophys Lab, 538 W 120th St, New York, NY 10027 USA. OI Rejkuba, Marina/0000-0002-6577-2787 NR 22 TC 49 Z9 51 U1 0 U2 1 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 JUL 1 PY 2002 VL 573 IS 1 BP L51 EP L54 DI 10.1086/341992 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 564YF UT WOS:000176340600012 ER PT J AU Albuquerque, IFM Lamoureux, J Smoot, GF AF Albuquerque, IFM Lamoureux, J Smoot, GF TI Astrophysical neutrino event rates and sensitivity for neutrino telescopes SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE instrumentation : miscellaneous; neutrinos; telescopes ID HIGH-ENERGY NEUTRINOS; COSMIC-RAYS; GALACTIC-CENTER; GAMMA-RAYS; TEV; MODEL; FLUX; ORIGIN; SUN AB Spectacular processes in astrophysical sites produce high-energy cosmic rays, which are further accelerated by Fermi shocks into a power-law spectrum. These, in passing through radiation fields and matter, produce neutrinos. Neutrino telescopes are designed with large detection volumes to observe such astrophysical sources. A large volume is necessary because the fluxes and cross sections are small. We estimate various telescopes sensitivities and expected event rates from astrophysical sources of high-energy neutrinos. We find that an ideal detector with a km(2) incident area can be sensitive to a flux of neutrinos integrated over energy from 10(5) and 10(7) GeV as low as 1.3 x 10(-8) E-2 (GeV cm(-2) s(-1) sr(-1)), which is 3 times smaller than the Waxman-Bahcall conservative upper limit on potential neutrino flux. A real detector will have degraded performance. Detection from known point sources is possible but unlikely unless there is prior knowledge of the source location and neutrino arrival time. C1 Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Energy Res Sci Comp Ctr, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Space Sci Lab, Berkeley, CA 94720 USA. RP Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM IFAlbuquerque@lbl.gov; JILamoureux@lbl.gov; GFSmoot@lbl.gov RI Albuquerque, Ivone/H-4645-2012 OI Albuquerque, Ivone/0000-0001-7328-0136 NR 59 TC 10 Z9 10 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 JUL PY 2002 VL 141 IS 1 BP 195 EP 209 DI 10.1086/340281 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 564XW UT WOS:000176339700012 ER PT J AU Liebendorfer, M Rosswog, ST Thielemann, FK AF Liebendorfer, M Rosswog, ST Thielemann, FK TI An adaptive grid, implicit code for spherically symmetric, general relativistic hydrodynamics in comoving coordinates SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE gravitation; hydrodynamics; methods : numerical; relativity; shock waves; supernovae : general ID HYPERBOLIC CONSERVATION-LAWS; BOLTZMANN NEUTRINO TRANSPORT; CORE COLLAPSE; RADIATION HYDRODYNAMICS; POSTBOUNCE EVOLUTION; SUPERNOVA MECHANISM; SIMULATION; EQUATIONS; SPACETIME; SYSTEMS AB We describe an implicit general relativistic hydrodynamics code. The evolution equations are formulated in comoving coordinates. A conservative finite differencing of the Einstein equations is outlined, and artificial viscosity and numerical diffusion are discussed. The time integration is performed with AGILE, an implicit solver for stiff algebrodifferential equations on a dynamical adaptive grid. We extend the adaptive grid technique, known from nonrelativistic hydrodynamics, to the general relativistic application and identify it with the concept of shift vectors in a 3+1 decomposition. The adaptive grid minimizes the number of required computational zones without compromising the resolution in physically important regions. Thus, the computational effort is greatly reduced when the zones are subject to computationally expensive additional processes, such as Boltzmann radiation transport or a nuclear reaction network. We present accurate results in the standard tests for supernova simulations: Sedov's point-blast explosion, the nonrelativistic and relativistic shock tube, the Oppenheimer-Snyder dust collapse, and homologous collapse. C1 Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. RP Liebendorfer, M (reprint author), Univ Basel, Dept Phys & Astron, Klingelbergstr 82, CH-4056 Basel, Switzerland. NR 41 TC 49 Z9 49 U1 0 U2 1 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0067-0049 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD JUL PY 2002 VL 141 IS 1 BP 229 EP 246 DI 10.1086/339872 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 564XW UT WOS:000176339700014 ER PT J AU Londer, YY Pokkuluri, PR Tiede, DM Schiffer, M AF Londer, YY Pokkuluri, PR Tiede, DM Schiffer, M TI Production and preliminary characterization of a recombinant triheme cytochrome c(7) from Geobacter sulfurreducens in Escherichia coli SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS LA English DT Article DE cytochrome c; cytochrome c(7); cytochrome c maturation proteins; heterologous expression; Geobacter sulfurreducens; multiheme cytochrome c; small angle X-ray scattering ID C-TYPE CYTOCHROME; X-RAY-SCATTERING; CORRECT EXPRESSION; BACILLUS-SUBTILIS; MATURATION; PROTEIN; DESULFOVIBRIO; PURIFICATION; GENES; BACTERIA AB Multiheme cytochromes c have been found in a number of sulfate- and metal ion-reducing bacteria. Geobacter sutfurreducens is one of a family of microorganisms that oxidize organic compounds, with Fe(III) oxide as the terminal electron acceptor. A triheme 9.6 kDa cytochrome c(7) from G. sutfurreducens is a part of the metal ion reduction pathway. We cloned the gene for cytochrome c(7) and expressed it in Escherichia coli together with the cytochrome c maturation gene cluster, ccmABCDEFGH, on a separate plasmid. We designed two constructs, with and without an N-terminal His-tag. The untagged version provided a good yield (up to 6 mg/l of aerobic culture) of the fully matured protein, with all three hemes attached, while the N-terminal His-tag appeared to be detrimental for proper heme incorporation. The recombinant protein (untagged) is properly folded, it has the same molecular weight and displays the same absorption spectra, both in reduced and in oxidized forms, as the protein isolated from G. suffurreducens and it is capable of reducing metal ions in vitro. The shape parameters for the recombinant cytochrome c(7) determined by small angle X-ray scattering are in good agreement with the ones calculated from a homologous cytochrome c(7) of known structure. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Schiffer, M (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 52 TC 36 Z9 38 U1 2 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2728 J9 BBA-BIOENERGETICS JI Biochim. Biophys. Acta-Bioenerg. PD JUL 1 PY 2002 VL 1554 IS 3 BP 202 EP 211 AR PII S0005-2728(02)00244-X DI 10.1016/S0005-2728(02)00244-X PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 586DR UT WOS:000177569800008 PM 12160993 ER PT J AU Carlsen, TM Espeland, EK Pavlik, BM AF Carlsen, TM Espeland, EK Pavlik, BM TI Reproductive ecology and the persistence of an endangered plant SO BIODIVERSITY AND CONSERVATION LA English DT Article DE heterostyly; intrinsic limitations; pollination biology; rare plants; weedy relatives ID AMSINCKIA-GRANDIFLORA BORAGINACEAE; INBREEDING DEPRESSION; SELF-INCOMPATIBILITY; DISPERSAL; RARE; BIOLOGY; SYSTEM; GROWTH; SIZE; FERTILIZATION AB Amsinckia grandiflora (large-flowered fiddleneck) is an extremely rare California annual wildflower, known only from three populations. We conducted field and greenhouse experiments to compare the rare heterostyle with a cryptic self-incompatibility system (A. grandiflora) to a common, self-compatible, homostylous, sympatric congener (A. tessellata). Inter-species comparisons of adult plants suggested that in the greenhouse, A. grandiflora balances low floral seed set (seeds per flower) with increased floral output (flowers/plant) and a greater number of flowers per inflorescence. Seed set from active self-, intra- and inter-morph pollinations was high in A. grandiflora, indicating that the cryptic self-incompatibility system does not prevent seed set in the species. In the field, A. grandiflora floral output was only slightly greater than for A. tessellata, and did not fully balance lower floral seed set. Amsinckia tessellata average seed weight was lower than that of A. grandiflora, which, along with the lower number of flowers produced, indicated lower maternal investment per nutlet than for A. grandiflora. Under conditions of unlimited resources, it appears that A. grandiflora fitness is not intrinsically limited when compared to its weedy relative A. tessellata. The differences in nutlet output between A. grandiflora and A. tessellata under field conditions are more likely due to differential responses to extrinsic factors such as competition and pollinator availability. C1 Lawrence Livermore Natl Lab, Environm Restorat Div, Livermore, CA 94551 USA. Mills Coll, Dept Biol, Oakland, CA 94613 USA. RP Carlsen, TM (reprint author), Lawrence Livermore Natl Lab, Environm Restorat Div, L-528, Livermore, CA 94551 USA. NR 59 TC 5 Z9 8 U1 1 U2 12 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0960-3115 J9 BIODIVERS CONSERV JI Biodivers. Conserv. PD JUL PY 2002 VL 11 IS 7 BP 1247 EP 1268 DI 10.1023/A:1016066618824 PG 22 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 567TP UT WOS:000176501500010 ER PT J AU Jeong, B Lee, KM Gutowska, A An, YHH AF Jeong, B Lee, KM Gutowska, A An, YHH TI Thermogelling biodegradable copolymer aqueous solutions for injectable protein delivery and tissue engineering SO BIOMACROMOLECULES LA English DT Article ID ACID); PLGA; GELATION; INSULIN; RELEASE AB This paper reports on the thermogelling, biodegradable polymer formulations based on poly(DL-lactic acid-co-glycolic acid)/(poly(ethylene glycol) graft copolymers for in vivo biomedical applications using animal models. The description includes diabetic control by sustained insulin delivery and cartilage repair by chondrocyte cell delivery. With one injection of the poly(DL-lactic acid-co-glycolic acid)/(poly(ethylene glycol) graft copolymers insulin formulation, the blood glucose level could be controlled from 5 to 16 days in diabetic rats by varying the polymer composition. The cartilage defect was notably repaired using chondrocyte suspension in the thermogelling PLGA-g-PEG compared with a control. This report shows that thermogelling biodegradable PLGA/PEG graft copolymer system can be a promising platform for protein and cell-based therapy. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Ewha Womans Univ, Dept Chem, Seoul 120750, South Korea. Med Univ S Carolina, Dept Orthoped Surg, Charleston, SC 29425 USA. RP Jeong, B (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,K2-44, Richland, WA 99352 USA. NR 22 TC 105 Z9 112 U1 8 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 J9 BIOMACROMOLECULES JI Biomacromolecules PD JUL-AUG PY 2002 VL 3 IS 4 BP 865 EP 868 DI 10.1021/bm025536m PG 4 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 571KN UT WOS:000176716700032 PM 12099835 ER PT J AU Song, J Cheng, Q Zhu, SM Stevens, RC AF Song, J Cheng, Q Zhu, SM Stevens, RC TI "Smart" materials for biosensing devices: Cell-mimicking supramolecular assemblies and colorimetric detection of pathogenic agents SO BIOMEDICAL MICRODEVICES LA English DT Article DE colorimetric biosensors; supramolecular assembly; biochromic conjugated polymer; molecular recognition; cell mimicking; pathogen detection ID INDUCED CHROMATIC TRANSITION; POLYDIACETYLENE VESICLES; ESCHERICHIA-COLI; ACID; GANGLIOSIDES; RECOGNITION; MORPHOLOGY; MEMBRANES; LIPOSOMES; SYSTEMS AB Mimicking cell membrane and the biomolecular recognition associated with membranes represents a great technical challenge, yet it has opened doors to innovative diagnostic and therapeutic methods. Our work has focused on design and synthesis of a class of "smart materials" exploiting biological principals for use in biosensors: these materials are functional polymeric assemblies that mimic the cell membrane and conveniently report the presence of pathogens with a color change. Biologically active cell membrane components are incorporated into conjugated polymers with desirable optical properties and the binding of the target molecules onto the material triggers conformational and electronic shifts that are reflected in a chromatic change (a so-called biochromic shift) that is conveniently observed and recorded. Langmuir-Blodgett thin films and vesicle bilayers provide ideal configurations for precise delivery of the biological binding entity to the sensing interface, and for control of molecular orientation for effective biomolecular interaction. Polydiacetylenic membrane-mimicking materials containing cell surface receptor gangliosides and sialic acid residues, respectively were formulated into these architectures and used for colorimetric detection of bacterial toxins and influenza virus. One advantage of these biochromic conjugated polymer (BCP) sensors is that their molecular recognition and signal transduction functionalities are resident in a single functional unit, making them amenable to convenient microfabrication and use. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. Scripps Res Inst, Dept Chem & Mol Biol, La Jolla, CA 92037 USA. RP Univ Calif Riverside, Dept Chem, Riverside, CA 92521 USA. EM quan.cheng@ucr.edu; stevens@scripps.edu RI Cheng, Jason/C-6345-2011; Stevens, Raymond/K-7272-2015 OI Stevens, Raymond/0000-0002-4522-8725 NR 22 TC 56 Z9 56 U1 4 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1387-2176 EI 1572-8781 J9 BIOMED MICRODEVICES JI Biomed. Microdevices PD JUL PY 2002 VL 4 IS 3 BP 213 EP 221 DI 10.1023/A:1016000530783 PG 9 WC Engineering, Biomedical; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA 589TN UT WOS:000177776600007 ER PT J AU Wang, LH Hingerty, BE Srinivasan, AR Olson, WK Broyde, S AF Wang, LH Hingerty, BE Srinivasan, AR Olson, WK Broyde, S TI Accurate representation of B-DNA double helical structure with implicit solvent and counterions SO BIOPHYSICAL JOURNAL LA English DT Review ID MOLECULAR-DYNAMICS SIMULATIONS; BASE-STACKING INTERACTIONS; IRREGULAR NUCLEIC-ACIDS; GENERALIZED BORN MODEL; EMPIRICAL FORCE-FIELD; FREE-ENERGY ANALYSIS; ADDUCT OPPOSITE DC; MINOR-GROOVE; CRYSTAL-STRUCTURES; SOLVATION MODEL AB High-resolution nuclear magnetic resonance (NMR) and crystallographic data have been taken to refine the force field used in the torsion angle space nucleic acids molecular mechanics program DUPLEX. The population balance deduced from NMR studies of two carcinogen-modified DNA conformers in equilibrium was used to fine tune a sigmoidal, distance-dependent dielectric function so that reasonable relative energies could be obtained. In addition, the base-pair and backbone geometry from high-resolution crystal structures of the Dickerson-Drew dodecamer was used to re-evaluate the deoxyribose pseudorotation profile and the Lennard-Jones nonbonded energy terms. With a modified dielectric function that assumes a very steep distance-dependent form, a deoxyribose pseudorotation profile with reduced energy barriers between C2'- and C3'-endo minima, and a shift of the Lennard-Jones potential energy minimum to a distance similar to0.4 Angstrom greater than the sum of the van der Waals' radii, the sequence-dependent conformational features of the Dickerson-Drew dodecamer in both the solid state and the aqueous liquid crystalline phase are well reproduced. The robust performance of the revised force field, in conjunction with its efficiency through implicit treatment of solvent and counterions, provides a valuable tool for elucidating conformations and structure-function relationships of DNA, including those of molecules modified by carcinogens and other ligands. C1 NYU, Dept Biol, New York, NY 10003 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37830 USA. Rutgers State Univ, Dept Chem, New Brunswick, NJ 08903 USA. RP Broyde, S (reprint author), NYU, Dept Biol, New York, NY 10003 USA. FU NCI NIH HHS [CA28038, CA75449]; NIGMS NIH HHS [GM20861] NR 108 TC 25 Z9 25 U1 1 U2 10 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD JUL PY 2002 VL 83 IS 1 BP 382 EP 406 PG 25 WC Biophysics SC Biophysics GA 566UC UT WOS:000176445800034 PM 12080128 ER PT J AU Nagle, NJ Elander, RT Newman, MM Rohrback, BT Ruiz, RO Torget, RW AF Nagle, NJ Elander, RT Newman, MM Rohrback, BT Ruiz, RO Torget, RW TI Efficacy of a hot washing process for pretreated yellow poplar to enhance bioethanol production SO BIOTECHNOLOGY PROGRESS LA English DT Article ID ACID PRETREATMENT AB Cost reductions for pretreatment and bioconversion processes are key objectives necessary to the successful deployment of a bioethanol industry. These unit operations have long been recognized for their impact on the production cost of ethanol. One strategy to achieve this objective is to improve the pretreatment process to produce a pretreated substrate resulting in reduced bioconversion time, lower cellulase enzyme usage, and/or higher ethanol yields. Previous research produced a highly digestible pretreated yellow poplar substrate using a multistage, continuously flowing, very dilute sulfuric acid (0.07% (w/v)) pretreatment. This process reduced the time required for the bioconversion of pretreated yellow poplar sawdust to ethanol. This resulted in a substantially improved yield of ethanol from cellulose. However, the liquid volume requirements, steam demand, and complexity of the flow-through reactor configuration were determined to be serious barriers to commercialization of that process. A reconfigured process to achieve similar performance has been developed using a single-stage batch pretreatment followed by a separation of solids and liquids and washing of the solids at a temperatures between 130 and 150 degreesC. Separation and washing at the elevated temperature is believed to prevent a large fraction of the solubilized lignin and xylan from reprecipitating and/or reassociating with the pretreated solids. This washing of the solids at elevated temperature resulted in both higher recovered yields of soluble xylose sugars and a more digestible pretreated substrate for enzymatic hydrolysis. Key operating variables and process performance indicators included acid concentration, temperature, wash volume, wash temperature, soluble xylose recovery, and performance of the washed, pretreated solids in bioconversion via simultaneous saccharification and fermentation (SSF). Initial results indicated over a 50% increase in ethanol yield at 72 h for the hot washed material as compared to the control (no washing, no separation) and a 43% reduction of in the bioconversion time required for a high ethanol yield from cellulose. C1 Biotechnol Div Fuels & Chem, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Nagle, NJ (reprint author), Biotechnol Div Fuels & Chem, Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 21 TC 36 Z9 40 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 8756-7938 J9 BIOTECHNOL PROGR JI Biotechnol. Prog. PD JUL-AUG PY 2002 VL 18 IS 4 BP 734 EP 738 DI 10.1021/bp0155078 PG 5 WC Biotechnology & Applied Microbiology; Food Science & Technology SC Biotechnology & Applied Microbiology; Food Science & Technology GA 581HE UT WOS:000177285200009 PM 12153306 ER PT J AU Liu, XD Kaczmarski, K Cavazzini, A Szabelski, P Zhou, DM Guiochon, G AF Liu, XD Kaczmarski, K Cavazzini, A Szabelski, P Zhou, DM Guiochon, G TI Modeling of preparative reversed-phase HPLC of insulin SO BIOTECHNOLOGY PROGRESS LA English DT Article ID PERFORMANCE LIQUID-CHROMATOGRAPHY; BOVINE SERUM-ALBUMIN; ANION-EXCHANGE CHROMATOGRAPHY; TRANSFER RATE COEFFICIENT; MASS-TRANSFER; LIGHT-SCATTERING; CONCENTRATION-DEPENDENCE; ADSORPTION-ISOTHERMS; AQUEOUS-SOLUTIONS; SELF-ASSOCIATION AB The adsorption isotherms of three recombinant proteins, human insulin, porcine insulin, and Lispro, were measured by frontal analysis on a YMC-ODS C18 column with an aqueous solution at 31% acetonitrile (0.1% TFA) as the mobile phase. The retention behavior of insulin, its related molecular structure, its conformation, and its aggregation in this phase system are discussed. The experimental isotherm data were fitted to the Langmuir, the Langmuir-Freundlich, and the Toth models. The results allow for a quantitative comparison of the saturation capacities, the equilibrium constants, and the exponents that represent the heterogeneity of the stationary phase obtained for the different insulin variants studied. The Toth model provided the best fit of the experimental data. The overloaded band profiles were calculated using the lumped pore diffusion and the equilibrium-dispersive model of chromatography. An excellent agreement between calculated and experimental profiles was demonstrated. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Knoxville, TN 37996 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu RI Cavazzini, Alberto/B-7051-2015 OI Cavazzini, Alberto/0000-0002-2510-0871 NR 68 TC 17 Z9 18 U1 2 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 8756-7938 J9 BIOTECHNOL PROGR JI Biotechnol. Prog. PD JUL-AUG PY 2002 VL 18 IS 4 BP 796 EP 806 DI 10.1021/bp020003a PG 11 WC Biotechnology & Applied Microbiology; Food Science & Technology SC Biotechnology & Applied Microbiology; Food Science & Technology GA 581HE UT WOS:000177285200017 PM 12153314 ER PT J AU Sandmaier, BM Bethge, WA Wilbur, DS Hamlin, DK Santos, EB Brechbiel, MW Fisher, DR Storb, R AF Sandmaier, BM Bethge, WA Wilbur, DS Hamlin, DK Santos, EB Brechbiel, MW Fisher, DR Storb, R TI Bismuth 213-labeled anti-CD45 radioimmunoconjugate to condition dogs for nonmyeloablative allogeneic marrow grafts SO BLOOD LA English DT Article ID TOTAL-BODY IRRADIATION; HEPATIC VENOOCCLUSIVE DISEASE; STEM-CELL TRANSPLANTATION; COMPLEXES IN-VIVO; MONOCLONAL-ANTIBODY; MYELODYSPLASTIC SYNDROME; EMITTING RADIONUCLIDES; LABELED-ANTIBODY; SOLID TUMORS; CANINE MODEL AB To lower treatment-related Mortality and toxicity of conventional marrow transplantation, a nonmyeloablative regimen using 200 cGy total-body irradiation (TBI) and mycophenolate mofetil (MMF) combined with cyclosporine (CSP) for postgrafting immunosuppression was developed. To circumvent possible toxic effects of external-beam gamma irradiation, strategies for targeted radiation therapy were investigated. We tested whether the short-lived (half-life, 46 minutes) alpha-emitter bismuth 213 (Bi-213) conjugated to an anti-CD45 monoclonal antibody (MAb) could replace 200 cGy TBI and selectively target hematopoietic tissues in a canine model of nonmyeloablative DLA-identical marrow transplantation. Biodistribution studies using iodine 123-labeled anti-CD45 mAb showed uptake in blood, marrow, lymph nodes, spleen, and liver. In a dose-escalation study, 7 dogs treated with the Bi-213-anti-CD45 conjugate (Bi-213 dose, 0.1-5.9 mCi/kg [3.7-218 MBq/kg]) without marrow grafts had no toxic effects other than a mild, reversible suppression of blood counts. On the basis of these studies, 3 dogs were treated with 0.5 mg/kg Bi-213-labeled anti-CD45 mAb (Bi-213 doses, 3.6, 4.6, and 8.8 mCi/kg [133, 170, and 326 MBq/kg]) given in 6 injections 3 and 2 days before grafting of marrow from DLA-identical littermates. The dogs also received MMF (10 mg/kg subcutaneously twice daily the day of transplantation until day 27 afterward) and CSP (15 mg/kg orally twice daily the day before transplantation until 35 days afterward). The therapy was well tolerated except for transient elevations in levels of transaminases in 3 dogs, followed by, in one dog, ascites. All dogs had prompt engraftment and achieved stable mixed hematopoietic chimerism, with donor contributions ranging from 30% to 70% after more than 27 weeks of follow-up. These results will form the basis for additional studies in animals and later the design of clinical trials using Bi-213 as a nonmyeloablative conditioning regimen with minimal toxicity. C1 Fred Hutchinson Canc Res Ctr, Div Clin Res, Seattle, WA 98109 USA. Univ Washington, Dept Med, Seattle, WA USA. Univ Washington, Dept Radiat Oncol, Seattle, WA 98195 USA. NCI, NIH, Bethesda, MD 20892 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sandmaier, BM (reprint author), Fred Hutchinson Canc Res Ctr, Div Clin Res, 1100 Fairview Ave N,D1-100,POB 19024, Seattle, WA 98109 USA. FU NCI NIH HHS [CA78902, P01 CA078902, CA15704]; NHLBI NIH HHS [HL36444] NR 68 TC 50 Z9 53 U1 1 U2 1 PU AMER SOC HEMATOLOGY PI WASHINGTON PA 1900 M STREET. NW SUITE 200, WASHINGTON, DC 20036 USA SN 0006-4971 J9 BLOOD JI Blood PD JUL 1 PY 2002 VL 100 IS 1 BP 318 EP 326 DI 10.1182/blood-2001-12-0322 PG 9 WC Hematology SC Hematology GA 567GQ UT WOS:000176477400044 PM 12070043 ER PT J AU Sewards, TV Sewards, M AF Sewards, TV Sewards, M TI Separate, parallel sensory and hedonic pathways in the mammalian somatosensory system SO BRAIN RESEARCH BULLETIN LA English DT Review DE somatic sensation; pain; hedonics; submodality segregation; somatosensory cortex; insular cortex; thalamus ID MEDULLARY DORSAL HORN; LATERAL CERVICAL NUCLEUS; TRIGEMINAL SUBNUCLEUS CAUDALIS; SPINOTHALAMIC TRACT NEURONS; LAMINA-I NEURONS; PHASEOLUS-VULGARIS-LEUKOAGGLUTININ; POSITRON-EMISSION-TOMOGRAPHY; NOXIOUS THERMAL-STIMULATION; FOS-LIKE IMMUNOREACTIVITY; ADJACENT CUNEATE NUCLEUS AB We propose that separate sensory and hedonic representations exist in each of the primary structures of the somatosensory system, including brainstem, thalamic and cortical components. In the dorsal horn of the spinal cord, the hedonic representation, which consists primarily nociceptive-specific, wide dynamic range, and thermoreceptive neurons, is located in laminae I and 11, while the sensory representation, composed primarily by low-threshold and wide dynamic range neurons, is found in laminae III through V. A similar arrangement is found in the caudal spinal trigeminal nucleus. Based on the available anatomical and electrophysiological data, we then determine the corresponding hedonic and sensory representations in the area of the dorsal column nuclei, ventrobasal and posterior thalamic complex, and cortex. In rodent primary somatosensory cortex, a hedonic representation can be found in laminae Vb and VI. In carnivore and primate primary and secondary somatosensory cortical areas no hedonic representation exists, and the activities of neurons in both areas represent the sensory aspect exclusively. However, there is a hedonic representation in the posterior part of insular cortex, bordering on retroinsular cortex, that receives projections from two thalamic areas in which hedonics are represented. The functions of the segregated components of the system are discussed, especially in relation to the subjective awareness of pain. (C) 2002 Elsevier Science Inc. All rights reserved. C1 Sandia Res Ctr, Placitas, NM 87043 USA. RP Sewards, TV (reprint author), Sandia Res Ctr, 21 Perdiz Canyon Rd, Placitas, NM 87043 USA. EM sewards@nmia.com NR 222 TC 31 Z9 38 U1 1 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0361-9230 J9 BRAIN RES BULL JI Brain Res. Bull. PD JUL PY 2002 VL 58 IS 3 BP 243 EP 260 AR PII S0361-9230(02)00783-9 PG 18 WC Neurosciences SC Neurosciences & Neurology GA 590VM UT WOS:000177844700001 PM 12128150 ER PT J AU Alton, J Plaisted, TJ Hrma, P AF Alton, J Plaisted, TJ Hrma, P TI Kinetics of growth of spinel crystals in a borosilicate glass SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE glass melt; crystal nucleation; crystal growth; settling Kolmogorov-Johnson-Mehl-Avrami equation; Hixson-Crowell equation ID CRYSTALLIZATION AB Three aspects of the kinetics of spinel crystallization in a high-level waste (HLW) glass were studied: (1) the effect of nucleation agents on the number density (n(s)) of spinel crystals, (2) crystallization kinetics in a crushed glass, and (3) crystallization kinetics in a glass preheated at T > T-L (liquidus temperature). In glass lacking in nucleation agents, n(s) was a strong function of temperature. In glasses with noble metals (Rh, Ru, Pd, and Pt), n(s) increased by up to four orders of magnitude and was nearly independent of temperature. The kinetics of spinet crystallization in crushed glass lacking nucleation agents was dominated by surface crystallization and was described by the Kolmogorov-Johnson-Mehl-Avrami (KJMA) equation with the Avrami exponent n congruent to 0.5. For application to HLW glass melter processing, it was necessary to preheat glass at T > T-L to eliminate the impact of temperature history and surface crystallization on crystal nucleation and growth. In the temperature range of glass processing, crystals descend under gravity when they reach a critical size. Below this critical size, crystallization kinetics is described by the KJMA equation and above the critical size by the Hixson-Crowell equation. At low temperatures, at which glass viscosity is high and diffusion is slow, the KJMA equation represents crystal growth from nucleation to equilibrium. As n(s) increases, the temperature interval of the transition from the KJMA to Hixson-Crowell regime shifts to a higher temperature. (C) 2002 Published by Elsevier Science Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hrma, P (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. NR 24 TC 13 Z9 13 U1 1 U2 8 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 JUL PY 2002 VL 57 IS 13 BP 2503 EP 2509 AR PII S0009-2509(02)00121-5 DI 10.1016/S0009-2509(02)00121-5 PG 7 WC Engineering, Chemical SC Engineering GA 576HC UT WOS:000176996800014 ER PT J AU Kechagia, PE Tsimpanogiannis, IN Yortsos, YC Lichtner, PC AF Kechagia, PE Tsimpanogiannis, IN Yortsos, YC Lichtner, PC TI On the upscaling of reaction-transport processes in porous media with fast or finite kinetics SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE porous media; mass transfer; dissolution; kinetics; scale-up; drying ID MODEL; DISSOLUTION; DISPERSION AB We show that for reaction-transport processes with fast kinetics (in the limit of thermodynamic equilibrium), conventional volume averaging for determining effective kinetic parameters applies only when the macroscopic variable approaches its equilibrium value. Even under such conditions, computing the effective mass transfer coefficient requires solving an eigenvalue problem, which couples the local microstructure with the global. Two examples, one involving a simple advection-dissolution problem and another a drying problem in a pore network, illustrate the theoretical predictions. Similar considerations apply for the case of finite kinetics, when the macroscale concentration approaches an equilibrium value. In that case, the effective kinetic parameter is not equal to the local, as typically assumed, but it becomes a function of the local Thiele modulus. (C) 2002 Published by Elsevier Science Ltd. C1 Univ So Calif, Dept Chem Engn, Los Angeles, CA 90089 USA. Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RP Yortsos, YC (reprint author), Univ So Calif, Dept Chem Engn, 925 W 37th St, Los Angeles, CA 90089 USA. EM yortsos@euclid.usc.edu NR 22 TC 51 Z9 52 U1 2 U2 7 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 JUL PY 2002 VL 57 IS 13 BP 2565 EP 2577 AR PII S0009-2509(02)00124-0 DI 10.1016/S0009-2509(02)00124-0 PG 13 WC Engineering, Chemical SC Engineering GA 576HC UT WOS:000176996800019 ER PT J AU Garlach, AD Musfeldt, JL Pigos, JM Jones, BR Olejniczak, I Graja, A Whangbo, MH Schlueter, JA Geiser, U Winter, RW Gard, GL AF Garlach, AD Musfeldt, JL Pigos, JM Jones, BR Olejniczak, I Graja, A Whangbo, MH Schlueter, JA Geiser, U Winter, RW Gard, GL TI Local and spatial disorder in beta ''-(ET)(2)SF5RSO3 solid solutions (R = CH2CF2, CHF, CHFCF2) SO CHEMISTRY OF MATERIALS LA English DT Article ID ELECTRONIC BAND-STRUCTURE; SUPERCONDUCTING TRANSITION-TEMPERATURE; ORGANIC SUPERCONDUCTOR; INSULATOR-TRANSITION; PHYSICAL-PROPERTIES; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURE; METAL-INSULATOR; ANION DISORDER; BEDT-TTF AB We report the polarized infrared reflectance spectra and optical conductivity of beta"-(ET)(2)SF5RSO3 superconducting (R = CH2CF2), metallic (R = CHF), and metal-insulator (R = CHFCF2) mixed crystal materials. Incorporation of chiral counterions in the superconducting matrix allows us to tune the physical and spectroscopic properties over the composition range by modulating the anion potential. We conclude that the two low-energy electronic excitations at 5200 and 9600 cm(-1) are spectral manifestations of charge localization in the ET stack, made manifest by both local (anion pocket) and spatial (positional) disorder. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37932 USA. SUNY Binghamton, Dept Chem, Binghamton, NY 13902 USA. Polish Acad Sci, Inst Mol Phys, PL-60479 Poznan, Poland. N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. Argonne Natl Lab, Div Chem & Mat Sci, Argonne, IL 60439 USA. Portland State Univ, Dept Chem, Portland, OR 97207 USA. RP Univ Tennessee, Dept Chem, Knoxville, TN 37932 USA. NR 42 TC 6 Z9 6 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL PY 2002 VL 14 IS 7 BP 2969 EP 2976 DI 10.1021/cm010378b PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 575CQ UT WOS:000176929000026 ER PT J AU Zhuravleva, MA Chen, XZ Wang, XP Schultz, AJ Ireland, J Kannewurf, CK Kanatzidis, MG AF Zhuravleva, MA Chen, XZ Wang, XP Schultz, AJ Ireland, J Kannewurf, CK Kanatzidis, MG TI X-ray and neutron structure determination and magnetic properties of new quaternary phases RE0.67Ni2Ga5+n-xGex and RE0.67Ni2Ga5+n-xSix (n = 0, 1; RE = Y, Sm, Gd, Tb, Dy, Ho, Er, Tm) synthesized in liquid Ga SO CHEMISTRY OF MATERIALS LA English DT Article ID EXPLORATORY SYNTHESIS; MOLTEN ALUMINUM; SILICIDES; SOLVENT; TRANSITIONS; AL AB Liquid Ga was used as a solvent to explore the phase formation between rare-earth metals (REs), Ni, and a tetrelide (Tt = Si, Ge). The reactions were performed in excess liquid Ga at 850 degreesC. Two new phases of general formulas RE(0.67)Ni(2)Ga(5-x)Tt(x) and RE(0.67)Ni(2)Ga(6-x)Tt(x) were found and structurally characterized. The Co analogues of the latter RE0.67CO2Ga6-xGex (RE = Y, Gd) were also prepared. Single-crystal X-ray data: The first group of compounds RE(0.67)Ni(2)Ga(5-x)Tt(x) crystallizes in the hexagonal space group P6(3)/mmc with a structure related to the RE2-xPt4Ga8+y type (Sm0.53Ni2Ga5-xGex a = 4.1748(7) Angstrom, c = 16.007(4) Angstrom, V = 241.61(8) Angstrom(3), Z = 2; Y0.59Ni2Ga5-xGex, a = 4.1344(11) Angstrom, c = 15.887(6) Angstrom, V = 235.18(12) Angstrom(3), Z = 2; Th0.67Ni2Ga5-xSix, a = 4.1415(11) Angstrom, c = 15.843(6) Angstrom, V = 235.33(12) Angstrom(3), Z = 2; Ho0.67Ni2Ga5-xGex, a = 4.1491(4) Angstrom, c = 15.877(2) Angstrom, V = 236.71(5) Angstrom(3), Z = 2). The second group RE(0.67)Ni(2)Ga(6-x)Tt(x) crystallizes in P (6) over bar m2 (Gd0.67Ni2Ga6-xGex, a = 4.1856(10) Angstrom, c = 9.167(3) Angstrom, V = 139.08(7) Angstrom(3), Z = 1; Sm0.67Ni2Ga6-xSix, a = 4.1976(8) Angstrom, c = 9.159(3) Angstrom, V = 139.76(5) Angstrom(3), Z = 1) in a structure related to the ErNi3Al9 structure type with disorder in the RE-Ga plane. Dy0.67Ni2Ga6-xGex crystallizes in space group P31c (a = 7.2536(8) Angstrom, c = 18.308(3) Angstrom, V = 834.21(2) Angstrom(3), Z = 6) with partial disorder in the RE-Ga plane. The structures of these two groups of compounds are related to each other and contain similar building motifs, namely Ga-n[NiGa2-x/2Gex/2](2) slabs and RE0.67Ga monatomic layers which alternate along the c-direction, forming a 3D structure. The parameter x and the position of the tetrelide in the structure were determined by single-crystal neutron diffraction. Complete or partial disorder of the RE and Ga atoms is observed in the RE-Ga plane. The origin of the disorder lies in the extensive and random stacking faults of ordered RE-Ga planes, which apparently slide easily in the ab plane and create an averaged disordered picture. Electrical conductivity and thermopower measurements indicate that these compounds are metallic conductors. The magnetic measurements show antiferromagnetic ordering at similar to3-4 K and Curie-Weiss behavior at higher temperatures with the values of mu(eff) close to those of RE3+ free ions. Strong 2-fold crystal field anisotropy is observed for the heavy RE analogues. The anisotropy constants K-2(para) calculated from the Weiss constant anisotropy for heavy RE analogues are reported. C1 Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. Northwestern Univ, Dept Elect Engn & Comp Sci, Evanston, IL 60208 USA. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Kanatzidis, MG (reprint author), Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. RI Wang, Xiaoping/E-8050-2012 OI Wang, Xiaoping/0000-0001-7143-8112 NR 31 TC 27 Z9 27 U1 0 U2 8 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 JUL PY 2002 VL 14 IS 7 BP 3066 EP 3081 DI 10.1021/cm020066o PG 16 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 575CQ UT WOS:000176929000039 ER PT J AU Chen, J Gu, BH LeBoeuf, EJ Pan, HJ Dai, S AF Chen, J Gu, BH LeBoeuf, EJ Pan, HJ Dai, S TI Spectroscopic characterization of the structural and functional properties of natural organic matter fractions SO CHEMOSPHERE LA English DT Article DE natural organic matter; humic substances; fluorescence; FTIR; UV/Vis; NMR; EPR ID NUCLEAR-MAGNETIC-RESONANCE; ELECTRON-SPIN-RESONANCE; CARBOXYL-GROUP STRUCTURES; AQUATIC HUMIC SUBSTANCES; FULVIC-ACID; FLUORESCENCE SPECTROSCOPY; IRON-OXIDE; QUANTITATIVE ASPECTS; SUWANNEE RIVER; METAL-IONS AB Natural organic matter (NOM) is known to be complex in nature with varying structural and functional characteristics. In this study, an aquatic NOM was fractionated into the polyphenolic-rich (NOM-PP) and the carbohydrate-rich (NOM-CH) fractions in an attempt to better characterize their chemical and structural properties along with a reference soil humic acid (SHA). Various spectroscopic techniques were employed for the study, including ultraviolet-visible (UV/Vis), C-13-nuclear magnetic resonance, Fourier-transform infrared, fluorescence, and electron paramagnetic resonance spectroscopies. Results indicate that the relative abundance of aromatic C=C and methoxyl (-OCH3) functional groups are in the order of SHA > NOM-PP > NOM-CH. However, the aquatic NOM-PP and NOM-CH fractions are characterized by high contents of carboxylic and alcoholic functional groups relative to the SHA. In particular, the NOM-PP fraction appears to contain more phenolic and ketonic functional groups than the NOM-CH and SHA fractions, and it gives a strong fluorescence and high paramagnetic spin count. On the other hand, the NOM-CH fraction possesses a relatively low amount of carbon but a high amount of oxygen or oxygen-containing structural features, such as carbohydrate-OH and carboxylic groups, and shows the least fluorescence intensity and paramagnetic spin counts. Results of these spectroscopic studies confirm the heterogeneous nature of NOM, and point out the importance of isolation and improved characterization of various NOM subcomponents in order to better understand the behavior and roles of NOM in the natural environment. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Gu, BH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. RI Gu, Baohua/B-9511-2012; Dai, Sheng/K-8411-2015 OI Gu, Baohua/0000-0002-7299-2956; Dai, Sheng/0000-0002-8046-3931 NR 55 TC 283 Z9 332 U1 29 U2 233 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD JUL PY 2002 VL 48 IS 1 BP 59 EP 68 AR PII S0045-6535(02)00041-3 DI 10.1016/S0045-6535(02)00041-3 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA 569AB UT WOS:000176576200008 PM 12137058 ER PT J AU Thomson, AM Brown, RA Ghan, SJ Izaurralde, RC Rosenberg, NJ Leung, LR AF Thomson, AM Brown, RA Ghan, SJ Izaurralde, RC Rosenberg, NJ Leung, LR TI Elevation dependence of winter wheat production in Eastern Washington State with climate change: A methodological study SO CLIMATIC CHANGE LA English DT Article ID ATMOSPHERIC CARBON-DIOXIDE; PACIFIC-NORTHWEST; MODEL SIMULATIONS; EPIC MODEL; SENSITIVITY; YIELD; CO2; RESPONSES; GROWTH; CROPS AB Crop growth models, used in climate change impact assessments to project production on a local scale, can obtain the daily weather information to drive them from models of the Earth's climate. General Circulation Models (GCMs), often used for this purpose, provide weather information for the entire globe but often cannot depict details of regional climates especially where complex topography plays an important role in weather patterns. The U.S. Pacific Northwest is an important wheat growing region where climate patterns are difficult to resolve with a coarse scale GCM. Here, we use the PNNL Regional Climate Model (RCM) which uses a sub-grid parameterization to resolve the complex topography and simulate meteorology to drive the Erosion Productivity Impact Calculator (EPIC) crop model. The climate scenarios were extracted from the PNNL-RCM baseline and 2 x CO2 simulations for each of sixteen 90 km(2) grid cells of the RCM, with differentiation by elevation and without correction for climate biases. The dominant agricultural soil type and farm management practices were established for each grid cell. Using these climate and management data in EPIC, we simulated winter wheat production in eastern Washington for current climate conditions (baseline) and a 2 x CO2 'greenhouse' scenario of climate change. Dryland wheat yields for the baseline climate averaged 4.52 Mg ha(-1) across the study region. Yields were zero at high elevations where temperatures were too low to allow the crops to mature. The highest yields (7.32 Mg ha(-1)) occurred at intermediate elevations with sufficient precipitation and mild temperatures. Mean yield of dryland winter wheat increased to 5.45 Mg ha(-1) for the 2 x CO2 climate, which was markedly warmer and wetter. Simulated yields of irrigated wheat were generally higher than dryland yields and followed the same pattern but were, of course, less sensitive to increases in precipitation. Increases in dryland and irrigated wheat yields were due, principally, to decreases in the frequency of temperature and water stress. This study shows that the elevation of a farm is a more important determinant of yield than farm location in eastern Washington and that climate changes would affect wheat yields at all farms in the study. C1 Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, Washington, DC 20024 USA. Independent Project Anal, Reston, VA 20190 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Thomson, AM (reprint author), Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, 901 D St SW,Suite 900, Washington, DC 20024 USA. RI Thomson, Allison/B-1254-2010; Izaurralde, Roberto/E-5826-2012; Ghan, Steven/H-4301-2011 OI Ghan, Steven/0000-0001-8355-8699 NR 33 TC 16 Z9 18 U1 2 U2 6 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 J9 CLIMATIC CHANGE JI Clim. Change PD JUL PY 2002 VL 54 IS 1-2 BP 141 EP 164 DI 10.1023/A:1015743411557 PG 24 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 558CN UT WOS:000175947800006 ER PT J AU Kollmann, W McCallen, RC Leone, JM AF Kollmann, W McCallen, RC Leone, JM TI An examination of LES filtering within the finite element method SO COMMUNICATIONS IN NUMERICAL METHODS IN ENGINEERING LA English DT Article DE finite element method; large-eddy simulation; incompressible turbulent flows; filtering ID LARGE-EDDY SIMULATION; TURBULENT FLOWS; MODEL AB The finite element method (FEM), in combination with large-eddy simulation (LES) techniques, is considered for the study of incompressible turbulent flows. The combination of these methodologies brings together the advantages of each: LES provides a high degree of accuracy with a minimum of empiricism for turbulence modelling, and FEM provides a robust way to simulate flow in very complex domains. It is shown that the LES filtering operator and filter width can be independently chosen with FEM just as with spectral methods because, even though FEM is grid based, it is also a method that provides an unambiguous solution everywhere by employing global basis functions. The assumption that the LES filtering operator commutes with differentiation is shown to be valid with the FEM approach. It is also shown that the error introduced by non-uniform filtering is small so long as the filter width changes smoothly. Copyright (C) 2002 John Wiley Sons, Ltd. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Calif Davis, MAE Dept, Davis, CA 95616 USA. RP McCallen, RC (reprint author), Lawrence Livermore Natl Lab, Mail Stop L-98,POB 808, Livermore, CA 94551 USA. NR 8 TC 2 Z9 2 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI W SUSSEX PA BAFFINS LANE CHICHESTER, W SUSSEX PO19 1UD, ENGLAND SN 1069-8299 J9 COMMUN NUMER METH EN JI Commun. Numer. Methods Eng. PD JUL PY 2002 VL 18 IS 7 BP 513 EP 528 DI 10.1002/cnm.510 PG 16 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 576XQ UT WOS:000177032800005 ER PT J AU Chen, N Gutierrez-Mora, F Koritala, RE Goretta, KC Routbort, JL Pan, JS AF Chen, N Gutierrez-Mora, F Koritala, RE Goretta, KC Routbort, JL Pan, JS TI Joining particulate and whisker ceramic composites by plastic flow SO COMPOSITE STRUCTURES LA English DT Article; Proceedings Paper CT 11th International Conference on Composite Structures (ICCS 11) CY NOV 19-21, 2001 CL MONASH UNIV, MELBOURNE, AUSTRALIA HO MONASH UNIV DE ceramics; composites; joints; plastic deformation ID STABILIZED ZIRCONIA POLYCRYSTALS; SUPERPLASTIC FLOW; ALUMINA CERAMICS; INTERLAYER; CREEP AB Joining of bulk ceramics by plastic flow has been demonstrated for several fine-grained ceramics. We have joined, for example, submicrometer 3 mol% Y2O3 partially stabilized ZrO2 (YSZ) and YSZ-toughened Al2O3, The interlayers in these cases consisted of dense, submicrometer-grain-sized pieces of ceramics that have been shown to exhibit superplastic flow, We have extended the joining work to include incorporation of 15 vol.% SiC or 20 vol.% TiC whiskers within the bond layer. Unlike YSZ/Al2O3, because of the presence of the whiskers, YSZ/Al2O3/SiC and YSZ/Al2O3/TiC do not deform superplastic ally. However, virtually perfect YSZ/Al2O3 joints with and without whiskers could be made by compressing at 1300-1350 degreesC and stresses of < 20 MPa. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Argonne Natl Lab, Energy Technol Div, Argonne, IL 60439 USA. Tsinghua Univ, Dept Mat Sci & Engn, Beijing 100084, Peoples R China. RP Argonne Natl Lab, Energy Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ngoretta@yahoo.com; gutierrez@anl.gov; koritala@anl.gov; goretta@anl.gov; routbort@anl.gov; jspan@mail.tsinghua.edu.cn RI Koritala, Rachel/F-1774-2011; Gutierrez-Mora, Felipe/H-4625-2015 OI Gutierrez-Mora, Felipe/0000-0003-3632-7163 NR 17 TC 19 Z9 20 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0263-8223 EI 1879-1085 J9 COMPOS STRUCT JI Compos. Struct. PD JUL-SEP PY 2002 VL 57 IS 1-4 BP 135 EP 139 AR PII S0263-8223(02)00077-6 DI 10.1016/S0263-8223(02)00077-6 PG 5 WC Materials Science, Composites SC Materials Science GA 596AZ UT WOS:000178142700016 ER PT J AU Parvin, B Yang, Q Fontenay, G Barcellos-Hoff, MH AF Parvin, B Yang, Q Fontenay, G Barcellos-Hoff, MH TI BioSig: An imaging bioinformatic system for studying phenomics SO COMPUTER LA English DT Article ID GROWTH AB Using genomic information to understand complex organisms requires comprehensive knowledge of the dynamics of phenotype generation and maintenance. A phenotype results from selective expression of the genome, creating a history of the cell and its response to the extracellular environment. Defining cell phenomes requires tracking the kinetics and quantities of multiple constituent proteins, their cellular context, and their morphological features in large populations. The BioSig imaging bioinformatic system for characterizing phenomics answers these challenges. The BioSig approach to microscopy and quantitative image analysis helps to build a more detailed picture of the signaling that occurs between cells as a response to exogenous stimulus such as radiation or as a consequence of endogenous programs leading to biological functions. The system provides a data model for capturing experimental annotations and variables, computational techniques for summarizing large numbers of images, and a distributed architecture that facilitates distant collaboration. C1 Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RP Parvin, B (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. EM parvin@media.lbl.gov; qyang@media.lbl.gov; fontenay@media.lbl.gov; MHBarecellos-Hoff@lbl.gov NR 8 TC 10 Z9 10 U1 0 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0018-9162 EI 1558-0814 J9 COMPUTER JI Computer PD JUL PY 2002 VL 35 IS 7 BP 65 EP + DI 10.1109/MC.2002.1016903 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Software Engineering SC Computer Science GA 568ZN UT WOS:000176575000009 ER PT J AU Rao, NSV Manickam, N AF Rao, NSV Manickam, N TI General quickest paths and path-tables SO COMPUTER SYSTEMS SCIENCE AND ENGINEERING LA English DT Article DE end-to-end delay; quickest path problem; path-table ID DAVENPORT-SCHINZEL SEQUENCES; ALGORITHMS AB We consider the transmission of a message of size r from a source to a destination over a computer network with n nodes and m links. There are three sources of delays for a message transmitted over the network: (a) propagation delays along the links, (b) delays due to the bandwidth availability on the links, and (c) queuing delays at the intermediate nodes. if the delay in (b) is a non-increasing function of the bandwidth, we propose an O(m(2) + mn log n) time algorithm to compute a path with the minimum end-to-end delay for a given message. For the general case, we show the size of paths table to be infinite. Under the condition that the delay curves are continuous and intersect with each other in no more than T connected regions, we show that path-table size has as an upper bound the Davenport-Schinzel number lambda(s)(p*), where p* is the dominant path number of G. We also discuss special cases where the path-table is of significantly smaller size. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Depauw Univ, Dept Math, Greencastle, IN 46135 USA. RP Rao, NSV (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. OI Rao, Nageswara/0000-0002-3408-5941 NR 10 TC 0 Z9 0 U1 0 U2 0 PU C R L PUBLISHING LTD PI MARKET HARBOROUG PA PO BOX 31, MARKET HARBOROUG LE16 9RQ, LEICS, ENGLAND SN 0267-6192 J9 COMPUT SYST SCI ENG JI Comput. Syst. Sci. Eng. PD JUL-SEP PY 2002 VL 17 IS 4-5 BP 253 EP 257 PG 5 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA 608KC UT WOS:000178844200004 ER PT J AU Campbell, JC Hyman, JM Shashkov, MJ AF Campbell, JC Hyman, JM Shashkov, MJ TI Mimetic finite difference operators for second-order tensors on unstructured grids SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article DE finite difference methods; mimetic; nonuniform grids; numerical methods; partial differential equations; tensors; unstructured grids ID LOGICALLY RECTANGULAR GRIDS; NATURAL DISCRETIZATIONS; DIVERGENCE; GRADIENT; CURL AB We use the support operators method to derive discrete approximations for the gradient of a vector and divergence of a tensor on unstructured grids in two dimensions. These discrete operators satisfy discrete analogs of the integral identities of the differential operators on unstructured grids where vector functions are defined at the grid points, and tensor functions are defined as tangential projections to the zone edges, or as normal projections to the median mesh. We evaluate the accuracy of the discrete operators by determining the order of convergence of the truncation error on structured and unstructured grids, and show that the truncation error of the method is between first and second order depending on the smoothness of the grid, In a test problem on a highly nonuniform grid, we confirm that the convergence rate is between first and second order. Published by Elsevier Science Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Campbell, JC (reprint author), Los Alamos Natl Lab, T-7 & T-CNLS, Los Alamos, NM 87545 USA. OI Campbell, James/0000-0001-8208-8103 NR 4 TC 9 Z9 9 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD JUL PY 2002 VL 44 IS 1-2 BP 157 EP 173 AR PII S0898-1221(02)00137-2 DI 10.1016/S0898-1221(02)00137-2 PG 17 WC Mathematics, Applied SC Mathematics GA 559ZF UT WOS:000176056000013 ER PT J AU Kamath, C Cantu-Paz, E Fodor, IK Tang, NA AF Kamath, C Cantu-Paz, E Fodor, IK Tang, NA TI Classifying bent-double galaxies SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article ID 1ST SURVEY AB Astronomy data sets have led to interesting problems in mining scientific data. These problems will likely become more challenging as the astronomy community brings several surveys online as part of the National Virtual Observatory, giving rise to the possibility of mining data across many different surveys. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Kamath, C (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, 7000 East Ave,POB 808,L-561, Livermore, CA 94551 USA. EM kamath2@llnl.gov; cantupaz@llnl.gov; fodor1@llnl.gov; tangn@llnl.gov NR 11 TC 5 Z9 5 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD JUL-AUG PY 2002 VL 4 IS 4 BP 52 EP 60 DI 10.1109/MCISE.2002.1014980 PG 9 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 567KF UT WOS:000176483400010 ER PT J AU Lauer, SA Nolan, JP AF Lauer, SA Nolan, JP TI Development and characterization of Ni-NTA-bearing microspheres SO CYTOMETRY LA English DT Article DE microspheres; supported lipid bilayers; immobilization; His-tagged proteins/peptides; metal chelator; NiNTA; flow cytometry; multiplexed analysis ID ASSEMBLED LIPID INTERFACES; GREEN FLUORESCENT PROTEIN; CHELATOR-LIPIDS; BIOTINYLATED PROTEINS; RECOMBINANT PROTEINS; ESCHERICHIA-COLI; FLOW-CYTOMETRY; AFFINITY; IMMOBILIZATION; ORGANIZATION AB Background: For ease of purification, proteins are often expressed with a short affinity sequence of five or six adjacent histidine residues (His-tag). This His-tag binds to the metal of metal chelator complexes such as Ni2+-nitrilotriacetic acid (Ni-NTA) or -iminodiacetic acid (Ni-IDA). Chromatography resins bearing covalently attached metal chelator complexes are used widely for the easy affinity purification of His-tagged proteins or peptides. Because Ni-NTA microspheres were not commercially available at the beginning of our studies, we prepared and characterized such microspheres to immobilize His-tagged proteins and study their interactions. Our microspheres are of three types: (a) metal chelator complexes bound covalently to polystyrene microspheres, (b) metal chelator complexes bound covalently to silica microspheres, and (c) lipid-linked metal chelator complexes adsorbed to silica microspheres forming self-assembled bilayer membranes where the metal chelators have lateral mobility. Methods: The microspheres bearing covalently attached Ni-chelator were synthesized by reacting a primary aminebearing Ni-NTA ligand with carboxy-functionalized microspheres and then loading with Ni2+. Microspheres with laterally mobile metal chelator were made by incubating glass microspheres with liposomes containing phosphatidylcholine (PC) and the metal chelating lipid 1,2-dioleoylsn-glvcero-3-[(N(5-amino-1-carboxypentyl)iminodiacetic acid)succinyl]. Binding of a His-tagged enhanced green fluorescent protein (EGFP) was used to characterize these microspheres by flow cytometry for their specificity, sensitivity, capacity and stability. Results: While all micospheres specifically bind His-tagged proteins, the conditions to achieve this are different for the polystyrene- and silica-based spheres. All three types of microspheres bind His-EGFP with saturation occurring at 30-50 DM and an apparent avidity (concentration of half maximal binding) of approximately 1 to 2 X 10(-8) M at pH 7.4. Binding of His-EGFP is inhibited by, imidazole or ethylene-diaminetetraacetic acid (EDTA). Polystyrene Ni-NTA microspheres showed significant nonspecific binding as measured by binding in the presence of imidazole or EDTA or by binding of fluorescent proteins lacking a His-tag. This nonspecific binding of proteins to and aggregation of polystyrene spheres could only be prevented by the inclusion of low concentrations of Tween 20, but not by including bovine serum albumin (BSA), polyethylene glycols, or polyvinylpyrrolidones as blocking agents. In contrast, silica-based microspheres with covalently attached Ni-NTA or silica microspheres bearing adsorbed bilayers that contain Ni-NTA-lipid showed little nonspecific binding in the presence of BSA. Our results on the stability of immobilization indicate that washing destabilizes the binding of His-tagged proteins to Ni-NTA microspheres. This binding consists of two interactions of different affinities. We also demonstrate that limited multiplexed analysis with differently sized silica microspheres bearing the Ni-NTA-lipid is feasible. Conclusions: The microspheres described are well suited to selectively immobilize His-tagged proteins to analyze their interactions by flow cytometry. The affinity and kinetic stability of the interaction of His-tagged proteins with Ni-NTA are insufficient to use Ni-NTA microspheres in multiplexed analysis formats where different His tagged proteins are bound to distinct microspheres. Improvements towards this end (improved chelators and/or improved affinity tags) are critical for extending the use of this method. We are currently working on novel chelators to strengthen the stability of immobilization of His-tagged proteins to surfaces. Such improvements would greatly enhance the analysis of interactions of immobilized His-tagged proteins and could make the development of microsphere-based arrays with Histagged protein/antibody possible. Cytometry 48:136-145, 2002. (C) 2002 Wiley-Liss, Inc. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Lauer, SA (reprint author), Los Alamos Natl Lab, Biosci Div, MS 888, Los Alamos, NM 87545 USA. FU NCRR NIH HHS [RR0 1315] NR 41 TC 39 Z9 40 U1 0 U2 20 PU WILEY-LISS PI NEW YORK PA DIV JOHN WILEY & SONS INC, 605 THIRD AVE, NEW YORK, NY 10158-0012 USA SN 0196-4763 J9 CYTOMETRY JI Cytometry PD JUL 1 PY 2002 VL 48 IS 3 BP 136 EP 145 DI 10.1002/cyto.10124 PG 10 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 570KB UT WOS:000176656500003 PM 12116359 ER PT J AU Tucker, JB Papanicolaou, N Rao, MV Holland, OW AF Tucker, JB Papanicolaou, N Rao, MV Holland, OW TI Fully ion implanted MESFETs in bulk semi-insulating 4H-SiC SO DIAMOND AND RELATED MATERIALS LA English DT Article DE SiC; MESFET; ion-implantation; annealing ID POWER AB MESFETs (n-channel) were fabricated in semi-insulating bulk 4H-SiC by ion implantation of both the source/drain and the channel regions, using an aluminum Schottky gate metal and nickel ohmic contacts. Nitrogen ion implantation was performed at room temperature to a depth of 300 nm at a volumetric concentration of 6x10(17) cm(-3) for the channel region and 2x10(19) cm(-3) for the source/drain. The implants were activated by annealing at 1450 degreesC for 15 min using, an AlN encapsulant. The bulk mobility of the channel implant was found to be 240 cm(2)/V s, while the effective channel mobility of the devices was measured to be less than 58 cm(2)/V s. For a typical device with a 22-mum gate length, the pinch-off voltage was 18 V, and the drain saturation current was approximately 40 mA. Devices exhibited. only a small change in their DC characteristics over the temperature range 25-350 degreesC. (C) 2002 Elsevier Science B.V. All rights reserved. C1 George Mason Univ, Dept Elect & Comp Engn, Fairfax, VA 22030 USA. USN, Res Lab, Washington, DC 20375 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Rao, MV (reprint author), George Mason Univ, Dept Elect & Comp Engn, Fairfax, VA 22030 USA. NR 9 TC 7 Z9 8 U1 0 U2 0 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 JUL PY 2002 VL 11 IS 7 BP 1344 EP 1348 AR PII S0925-9635(01)00746-4 DI 10.1016/S0925-9635(01)00746-4 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 562VC UT WOS:000176218800004 ER PT J AU Diskin, MG Austin, EJ Roche, JF AF Diskin, MG Austin, EJ Roche, JF TI Exogenous hormonal manipulation of ovarian activity in cattle SO DOMESTIC ANIMAL ENDOCRINOLOGY LA English DT Article; Proceedings Paper CT 4th International Conference on Farm Animal Endocriology CY OCT 07-10, 2001 CL PARMA, ITALY SP Univ Studi Parma, Fatro, Intervet ID LACTATING DAIRY-COWS; GONADOTROPIN-RELEASING-HORMONE; BOVINE ESTROUS-CYCLE; FIRST FOLLICULAR WAVE; OVULATORY FOLLICLE; DOMINANT FOLLICLE; SYNCHRONIZATION REGIMENS; REPRODUCTIVE-PERFORMANCE; ARTIFICIAL-INSEMINATION; ELEVATED CONCENTRATIONS AB To achieve precise control of the oestrous cycle in cattle it is necessary to control both the life span of the corpus luteum and the follicle wave status at the end of the treatment. Antral follicle growth in cattle occurs in distinct wavelike patterns during the ovarian cycle and the postpartum anoestrous period. The emergence of each new wave is stimulated by a transient increase in FSH. Each follicle wave has an inherent life span of 7-10 days as it progresses through the different stages of development, viz., emergence, selection, dominance and atresia or ovulation. The dominant follicle (DF) is distinguishable from other subordinate follicles by its enhanced capacity to produce oestradiol, maintenance of low intrafollicular concentrations of insulin-like growth factor binding proteins-2, -4 and -5 and follistatin and an increase in free intrafollicular concentrations of IGF-I as well as an increase in size. Three approaches can be taken to control ovarian activity and regulate the oestrous cycle in cattle: (i) use of the luteolytic agent prostaglandin F2alpha (PGF2alpha) alone or one of its potent analogues, (ii) administration of exogenous progesterone-progestagen treatments combined with the use of exogenous oestradiol or gonadotrophin releasing hormone (GnRH) to control new follicle wave emergence and shorten the life span of the corpus luteum, and (iii) prior follicle wave synchrony followed by induced luteolysis. A number of different oestrous synchronisation regimens, viz., PGF2alpha-based only, short-term progesterone with prior follicle wave synchrony using oestradiol or GnRH have been developed but the problem of obtaining good follicle wave synchrony and CL regression limit their widespread application. GnRH-prostaglandin-GnRH regimens have recently been developed for beef and dairy cows. However, their success is variable. A better understanding of the hormonal control of follicle growth is a prerequisite in order to obtain more precise control the oestrous cycle allowing one AI at a predetermined time giving high pregnancy rates without recourse to detection of oestrus. (C) 2002 Elsevier Science Inc. All rights reserved. C1 TEAGASC, Agr & Food Dev Author, Athenry Res Ctr, Galway, Ireland. Univ Coll Dublin, Fac Vet Med, Dublin 4, Ireland. RP Diskin, MG (reprint author), TEAGASC, Agr & Food Dev Author, Athenry Res Ctr, Galway, Ireland. NR 58 TC 75 Z9 77 U1 2 U2 13 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0739-7240 J9 DOMEST ANIM ENDOCRIN JI Domest. Anim. Endocrinol. PD JUL PY 2002 VL 23 IS 1-2 SI SI BP 211 EP 228 AR PII S0739-7240(02)00158-3 DI 10.1016/S0739-7240(02)00158-3 PG 18 WC Agriculture, Dairy & Animal Science; Endocrinology & Metabolism SC Agriculture; Endocrinology & Metabolism GA 587KB UT WOS:000177638200020 PM 12142239 ER PT J AU Schildgen, T Dethier, DP Bierman, P Caffee, M AF Schildgen, T Dethier, DP Bierman, P Caffee, M TI Al-26 and Be-10 dating of late Pleistocene and Holocene fill terraces: A record of fluvial deposition and incision, Colorado Front Range SO EARTH SURFACE PROCESSES AND LANDFORMS LA English DT Article DE cosmogenic nuclide; fill terraces; incision rates; Boulder Canyon ID COSMOGENIC NUCLIDES; PRODUCTION-RATES; SCALING FACTORS; TIME SCALES; INSITU; LAKE; ISOTOPES; SURFACES; EROSION; CL-36 AB Cosmogenic Al-26, Be-10. and C-14 dating of fluvial fill terraces in steep canyons of the Colorado Front Range provides a temporal framework for analysing episodic aggradation and incision. Results from Boulder Canyon show that terrace heights above the modern channel (grade) can be divided into: (1) Bull Lake (greater than or similar to100 ka; 20-15 m above grade); (2) Pinedale (32-10 ka; 15-4 m above grade); and (3) Holocene age (<4 to above grade). No pre-Bull Lake deposits are preserved along Boulder Canyon, and only three small remnants > 15 to above grade record Bull Lake deposition. Well-preserved terraces of Pinedale age suggest that the range of terrace height above grade reflects short-term fluctuations in the river profile during periods of rapidly changing stream load and power. Net river incision apparently occurred during transitions to interglacial periods. Soil development and stratigraphic position, along with limited cosmogenic and C-14 dating, suggest that similar to 130 ka terraces in Boulder Canyon correlate with the Louviers Alluvium, and that 32 to 10 ka fills in the canyon correlate with the Broadway Alluvium on the adjacent High Plains. Late Pleistocene incision rates (similar to0.15 m ka(-1)) along Boulder Canyon exceed pre-late Pleistocene incision rates, and are higher than middle to late Pleistocene incision rates (similar to0.04 m ka(-1)) on the High Plains. This study provides an example of how modern geochronologic techniques allow us to understand better rivers that drain glaciated catchments. Copyright (C) 2002 John Wiley Sons, Ltd. C1 Williams Coll, Dept Geosci, Williamstown, MA 01267 USA. Univ Vermont, Dept Geol, Burlington, VT USA. Univ Vermont, Sch Nat Resources, Burlington, VT 05405 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Dethier, DP (reprint author), Williams Coll, Dept Geosci, Williamstown, MA 01267 USA. RI Schildgen, Taylor/L-1257-2013; Caffee, Marc/K-7025-2015; OI Caffee, Marc/0000-0002-6846-8967; Schildgen, Taylor/0000-0002-4236-4609 NR 52 TC 37 Z9 42 U1 0 U2 6 PU JOHN WILEY & SONS LTD PI W SUSSEX PA BAFFINS LANE CHICHESTER, W SUSSEX PO19 1UD, ENGLAND SN 0197-9337 J9 EARTH SURF PROC LAND JI Earth Surf. Process. Landf. PD JUL PY 2002 VL 27 IS 7 BP 773 EP 787 DI 10.1002/esp.352 PG 15 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA 580TT UT WOS:000177251900007 ER PT J AU Kostecki, R McLarnon, F AF Kostecki, R McLarnon, F TI Degradation of LiNi0.8Co0.2O2 cathode surfaces in high-power lithium-ion batteries SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID THERMAL-STABILITY AB High-power Li-ion cells stored or cycled at elevated temperatures showed a significant impedance rise and power loss associated primarily with the LiNi0.8Co0.2O2 cathode (positive electrode). The processes which led to this impedance rise were assessed by investigating the cathode surface electronic conductance, surface structure, and composition at the microscopic level with local probe techniques. Current-sensing atomic force microscopy imaging revealed that the cathode surface electronic conductance diminished significantly in the tested cells, and that the rate of change of the electronic conductance increased with cell test temperature. Raman microscopy measurements provided evidence that surface phase segregation of nickel oxides is at least partially responsible for the observed cathode impedance rise. (C) 2002 The Electrochemical Society. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Kostecki, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. NR 8 TC 43 Z9 44 U1 0 U2 18 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PD JUL PY 2002 VL 5 IS 7 BP A164 EP A166 DI 10.1149/1.1482199 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 557WQ UT WOS:000175932300006 ER PT J AU Simner, SP Bonnett, JF Canfield, NL Meinhardt, KD Sprenkle, VL Stevenson, JW AF Simner, SP Bonnett, JF Canfield, NL Meinhardt, KD Sprenkle, VL Stevenson, JW TI Optimized lanthanum ferrite-based cathodes for anode-supported SOFCs SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID OXIDE FUEL-CELLS AB Three cathode compositions (La0.8Sr0.2FeO3-delta,La0.7Sr0.3 Fe0.8Ni0.2O3-delta, and LaNi0.6Fe0.4O3-delta) have been tested as solid oxide fuel cell (SOFC) cathodes at operating temperatures from 650 to 750degrees C. Sintering temperatures were established for each cathode composition to provide optimized cell performance. La0.8Sr0.2FeO3-delta exhibited the highest power density (>900 mW/cm(2) at 750degrees C and 0.7 V), and indicated excellent performance stability over a 300 h period. (C) 2002 The Electrochemical Society. C1 Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. RP Simner, SP (reprint author), Pacific NW Natl Lab, Dept Mat Sci, Richland, WA 99352 USA. NR 9 TC 126 Z9 127 U1 2 U2 25 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PD JUL PY 2002 VL 5 IS 7 BP A173 EP A175 DI 10.1149/1.1483156 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 557WQ UT WOS:000175932300009 ER PT J AU Bischof, O Kirsh, O Pearson, M Itahana, K Pelicci, PG Dejean, A AF Bischof, O Kirsh, O Pearson, M Itahana, K Pelicci, PG Dejean, A TI Deconstructing PML-induced premature senescence SO EMBO JOURNAL LA English DT Article DE p53; PML; PML nuclear bodies; senescence; telomerase ID ACUTE PROMYELOCYTIC LEUKEMIA; NUCLEAR-BODY FORMATION; NORMAL HUMAN-CELLS; RAR-ALPHA; CELLULAR SENESCENCE; ONCOGENIC RAS; LIFE-SPAN; P53; PROTEINS; TELOMERASE AB In this study, we investigated the subcellular and molecular mechanisms underlying promyelocytic leu kemia (PML)-induced premature senescence. We demonstrate that intact PML nuclear bodies are not required for the induction of senescence. We have determined further that of seven known PML isoforms, only PML IV is capable of causing premature senescence, providing the first evidence for functional differences among these isoforms. Of interest is the fact that in contrast to PML+/+ fibroblasts, PML-/- cells are resistant to PML IV-induced senescence. This suggests that although PML IV is necessary for this process to occur, it is not sufficient and requires other components for activity. Finally, we provide evidence that PML IV-induced senescence involves stabilization and activation of p53 through phosphorylation at Ser46 and acetylation at Lys382, and that it occurs independently of telomerase and differs from that elicited by oncogenic Ras. Taken together, our data assign a specific pro-senescent activity to an individual PML isoform that involves p53 activation and is independent from PML nuclear bodies. C1 Inst Pasteur, INSERM, U163, Unite Recombinaison & Express Genet, F-75724 Paris 15, France. European Inst Oncol, Dept Expt Oncol, I-20141 Milan, Italy. Univ Calif Berkeley, Dept Cell & Mol Biol, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Dejean, A (reprint author), Inst Pasteur, INSERM, U163, Unite Recombinaison & Express Genet, 28 Rue Dr Roux, F-75724 Paris 15, France. RI Itahana, Koji/J-5505-2013; OI Itahana, Koji/0000-0002-7241-2894; Kirsh, Olivier/0000-0001-6200-5681 NR 58 TC 149 Z9 152 U1 0 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0261-4189 J9 EMBO J JI Embo J. PD JUL 1 PY 2002 VL 21 IS 13 BP 3358 EP 3369 DI 10.1093/emboj/cdf341 PG 12 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 572PL UT WOS:000176784100015 PM 12093737 ER PT J AU Huang, HP Chang, SG Dorchak, T AF Huang, HP Chang, SG Dorchak, T TI Method to regenerate ammonia for the capture of carbon dioxide SO ENERGY & FUELS LA English DT Article ID CO2; ABSORPTION; RECOVERY AB Compared to the conventional MEA process for the capture of carbon dioxide from flue gas, the ammonia scrubbing technique provides advantages of lower material costs and less corrosion to absorber, as well as the potential for saving energy, which will eventually make the process less expensive. However, in addition to the highly volatile nature of ammonia, the lack of a method to separate ammonia from CO2 after thermal decomposition of ammonium bicarbonate also hinders the ammonia scrubbing technique from being applied in practice. This paper investigates a method to regenerate ammonia so as to allow for the ammonia scrubbing technique to be practical in the capture of CO2. In the new method, a weakly basic ion-exchange resin containing amine functional groups is used to regenerate ammonia through absorbing carbonic acid at ambient temperatures from ammonium bicarbonate, the main product formed after the absorption Of CO2 by ammonia. The resin can then be regenerated when it is heated by water at temperatures equal to or greater than 50 degreesC. A 50% energy saving can be expected of the new method when compared to the energy requirement of the MEA process. Also, through several runs of a resin absorption--desorption experiment, the sustainability of the resin for the regeneration of ammonia from ammonium bicarbonate was evidently demonstrated. The regeneration capability of the resin can be maintained consistently at 87% of the original regeneration capability of the resin. The issue of the volatility of ammonia is also addressed. C1 Univ Calif Berkeley, Environm Energy Technol Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Chang, SG (reprint author), Univ Calif Berkeley, Environm Energy Technol Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 11 TC 27 Z9 33 U1 1 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JUL-AUG PY 2002 VL 16 IS 4 BP 904 EP 910 DI 10.1021/ef010270i PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 575TT UT WOS:000176965100013 ER PT J AU Botto, RE AF Botto, RE TI Optimization of sensitivity in pulsed C-13 NMR of coals SO ENERGY & FUELS LA English DT Article ID CARBON AROMATICITIES; BITUMINOUS COALS; HIGH-RESOLUTION; H/C RATIOS; SPECTROSCOPY AB Pulsed C-13 NMR analyses (SPE) were performed on Argonne Premium coals using a modified version of the ring-down elimination (RIDE) pulse sequence that included high-power proton decoupling. Employing RIDE in combination with the use Of O-2 as a relaxation agent and appropriate considerations of the Ernst-Anderson angle produced high-quality spectra devoid of baseline artifacts in reasonable measuring times. Employing this approach reduced the total acquisition time over the standard procedure of applying a 90degrees excitation pulse by as much as a factor of 1/17 in some instances. Carbon aromaticity values determined in this manner were similar to those obtained previously by SPE using a 90degrees pulse and long recycle delay times. Values determined by both methods are generally found to be higher than those by cross polarization. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Botto, RE (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 16 TC 6 Z9 6 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JUL-AUG PY 2002 VL 16 IS 4 BP 925 EP 927 DI 10.1021/ef010279k PG 3 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 575TT UT WOS:000176965100017 ER PT J AU Poutsma, ML AF Poutsma, ML TI Progress toward the mechanistic description and simulation of the pyrolysis of tetralin SO ENERGY & FUELS LA English DT Review ID ATOM-TRANSFER-REACTIONS; POLYCYCLIC AROMATIC-HYDROCARBONS; BOND-DISSOCIATION-ENERGIES; ELECTRON-SPIN RESONANCE; ABSOLUTE RATE CONSTANTS; FLASH VACUUM PYROLYSIS; EVALUATED KINETIC DATA; HYDROGEN DONOR MEDIA; THERMAL-DECOMPOSITION; ALKYL RADICALS AB Kinetic and product distribution information for the pyrolysis of tetralin is reviewed and data for 23 selected low-conversion examples are compiled that cover a temperature range from 450-730 degreesC and a concentration range from 3.8 x 10(0)-6 x 10(-5) M (as well as one example in the shock-tube regime). The challenge in developing a mechanistic model arises from a delicately balanced competition among several product-forming pathways (ring contraction to methylindan derivatives, successive dehydrogenations, hydrogenolytic ring-opening and side-chain cracking, and expulsion of ethylene to form benzocyclobutene) that is very sensitive to temperature, concentration, and conversion level. A reaction network was formulated that involves 174 free-radical steps, 23 radicals, and 27 products. Estimated rate constants were assigned by thermochemical kinetic protocols. Predicted reaction dynamics were analyzed to understand the sources of unusual induction periods, autoacceleration kinetics, sigmoidally curved van't Hoff plots, strong dependences of product distributions on conditions, and sensitivity to 1,2-dihydronaphthalene impurity. Multiple initiation, propagation, and termination pathways were deconvoluted. Predictions of note are that molecular disproportionations between tetralin and evolving products, especially 1,2-dihydronaphthalene, are a major contributor to chain initiation and that chain termination occurs largely by disproportionation of the dominant 1-tetralyl radical because its kinetically more facile combination is highly reversible. After modest adjustment of two rate constants, the average deviation of the predicted integral reaction rates from the experimental rates was only -0.07 log units (sigma = +/-0.41, probably largely indicative of scatter in the data set). However, a significant discrepancy remains because the bulk of the data does not support the prediction of generic autoacceleration, which arises from the involvement of products in initiation. The major product distribution patterns were well reproduced, in particular the dominance of 1-methylindan among the ring-contraction products, the increases in both the dehydrogenation/ring-contraction ratio, and the 1,2-dihydronaphthalene/naphthalene ratio (at a given conversion level) with decreasing concentration and/or increasing temperature, and the proportioning of the "H" made available by dehydrogenation between major formation of H-2 and minor operation of multiple stoichiometries for ring-opening and cracking. As currently formulated, the model does not accommodate a modest but nontrivial formation of indene observed under selected conditions, but a suggestion is made for further testing of a multistep pathway that appears to be kinetically competent to account for Cl-loss as a primary process. No satisfying pathway ha,s been formulated for minor formation of methylindene isomers that has been reported in one case. Finally, the model is compared with a complementary model that has been recently proposed and tested over a much more limited range of temperature and concentration (Bounaceur, R.; Scacchi, G.; Marquaire, P. M.; Domine, F. Ind. Eng. Chem. Res. 2000, 39, 4152). Some distinctly different predictions and reaction dynamics are noted and traced to differences in the reaction steps included and in assignments of certain key thermochemical parameters and rate constants. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Poutsma, ML (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. NR 151 TC 21 Z9 22 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JUL-AUG PY 2002 VL 16 IS 4 BP 964 EP 996 DI 10.1021/ef020004k PG 33 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 575TT UT WOS:000176965100023 ER PT J AU Sanchez, F Mattus, CH Morris, MI Kosson, DS AF Sanchez, F Mattus, CH Morris, MI Kosson, DS TI Use of a new leaching test framework for evaluating alternative treatment processes for mercury-contaminated soils SO ENVIRONMENTAL ENGINEERING SCIENCE LA English DT Article DE leaching; mercury; test methods; risk assessment; landfill; waste management ID AFFECTING LEACHATE COMPOSITION; BOTTOM ASH; LANDFILL LOSTORF; WASTE; CARBONATION; SWITZERLAND; CONCRETE; BEHAVIOR AB A new framework for evaluating leaching of wastes was used for assessing the efficacy of potential treatment processes for mixed wastes (radioactive and hazardous) that contain mercury. This framework is based on measurement of intrinsic leaching properties of the material of concern and using the testing results in conjunction with assumed management scenarios and mass transfer models to estimate release of constituents of potential concern over a defined time period. Two mercury-contaminated soils (ca. 4500 mg/kg) were used for the demonstrations. Four candidate treatments were examined: vacuum thermal desorption, encapsulation and amalgamation with sulfur polymer cement, and two forms of solidification/stabilization. Fundamental leaching properties (i.e., acid neutralization capacity of the materials, mercury solubility as a function of pH and mercury release rates) were measured. Testing results provided valuable information on the response of the materials to the impact of stresses that may be encountered under different management scenarios. Mercury release estimates for percolation and mass transfer-controlled scenarios were compared to release estimates based on total content and Toxicity Characteristic Leaching Procedure (TCLP) results. Results showed that testing over a range of conditions and evaluation of test results for assumed management scenarios using simple mass transfer models, provides release estimates that are much more reflective of the waste and its plausible management than release estimates based on total content or single batch test results. C1 Vanderbilt Univ, Dept Civil & Environm Engn, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Kosson, DS (reprint author), Vanderbilt Univ, Dept Civil Engn, VU Stn B-35 1831, Nashville, TN 37235 USA. RI Mattus, Catherine/E-5591-2017 OI Mattus, Catherine/0000-0002-4574-1588 NR 20 TC 10 Z9 10 U1 0 U2 8 PU MARY ANN LIEBERT INC PUBL PI LARCHMONT PA 2 MADISON AVENUE, LARCHMONT, NY 10538 USA SN 1092-8758 J9 ENVIRON ENG SCI JI Environ. Eng. Sci. PD JUL-AUG PY 2002 VL 19 IS 4 BP 251 EP 269 DI 10.1089/109287502760271562 PG 19 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 673MP UT WOS:000182585000005 ER PT J AU Jarvis, TT AF Jarvis, TT TI Stewardship and US nuclear weapon production wastes - An introduction SO ENVIRONMENTAL PROGRESS LA English DT Article AB The article provides new perspectives on the amounts and types of nuclear and toxic waste produced by the United States nuclear weapons production industry. These wastes are spread over 28 of the 50 states at 129 nuclear weapons-related properties. The total quantity would fill a line of semi trucks, over 24 miles abreast, parked bumper-to-bumper, extending from Chicago, IL, to Laredo, TX. Much of the waste generated by nuclear weapon production has very long radioactive half-lives, and exists in uncontrolled or unstabilized forms. This article presents new categories for waste based on their relative accessibility to the environment, in contrast to old waste categories that are tied to nuclear weapon production terminology. Also discussed are potential risks from nuclear weapons waste, such as threats to public safety, cultural threats, and risks to natural resources. Because these wastes are extremely persistent (i.e., an average radioactive half-life of 3, 000 years), they are managed under a concept new to the industry termed "stewardship." Management by stewardship is described, along with its organizational and funding framework, decision-making philosophy, and how one goes about trans-generational information transfer. RP Jarvis, TT (reprint author), Pacific NW Natl Lab, POB 999,K6-80, Richland, WA 99352 USA. NR 14 TC 0 Z9 0 U1 2 U2 3 PU AMER INST CHEMICAL ENGINEERS PI NEW YORK PA 3 PARK AVE, NEW YORK, NY 10016-5901 USA SN 0278-4491 J9 ENVIRON PROG JI Environ. Prog. PD JUL PY 2002 VL 21 IS 2 BP 71 EP 78 DI 10.1002/ep.670210208 PG 8 WC Engineering, Environmental; Engineering, Chemical; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 719VJ UT WOS:000185225500004 ER PT J AU Esser, BK Volpe, A AF Esser, BK Volpe, A TI At-sea high-resolution trace element mapping: San Diego Bay and its plume in the adjacent coastal ocean SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SOUTHERN CALIFORNIA BIGHT; COPPER COMPLEXATION; FRANCISCO BAY; MARINE WATERS; SPECIATION; EXTRACTION; EXCHANGE; METALS; CU; CONTAMINATION AB We conducted at-sea experiments using separation chemistry and an inductively coupled plasma mass spectrometer to rapidly measure, in real time, trace element concentrations in the surface water of the San Diego Bay and the adjacent coastal ocean. The survey shows that surface water in the San Diego Bay is clearly enriched in Mn, Ni, Cu, Zn, Cd, and FDOM with respect to the coastal ocean. Trace element enrichment patterns were used to identify bay water as it enters the coastal ocean during tidal pumping. Quantifying the spatial distribution and temporal flux of pollutant trace elements are important steps in understanding coastal biogeochemical processes. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Esser, BK (reprint author), Lawrence Livermore Natl Lab, L-231, Livermore, CA 94550 USA. RI Esser, Bradley/G-4283-2010 OI Esser, Bradley/0000-0002-3219-4298 NR 29 TC 14 Z9 18 U1 1 U2 4 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 JUL 1 PY 2002 VL 36 IS 13 BP 2826 EP 2832 DI 10.1021/es011222f PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 569GA UT WOS:000176591600023 PM 12144254 ER PT J AU Love, AH Hunt, JR Roberts, ML Southon, JR Chiarappa-Zucca, ML Dingley, KH AF Love, AH Hunt, JR Roberts, ML Southon, JR Chiarappa-Zucca, ML Dingley, KH TI Use of tritium accelerator mass spectrometry for tree ring analysis SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ENVIRONMENTAL-SAMPLES; BIOLOGICAL SAMPLES; ISOTOPE RATIOS; 3 DECADES; WATER; RECONSTRUCTION; GROUNDWATER; TRACER; C-14 AB Public concerns over the health effects associated with low-level and long-term exposure to tritium released from industrial point sources have generated the demand for better methods to evaluate historical tritium exposure levels for these communities. The cellulose of trees accurately reflects the tritium concentration in the source water and may contain the only historical record of tritium exposure. The tritium activity in the annual rings of a tree was measured using accelerator mass spectrometry to reconstruct historical annual averages of tritium exposure. Milligram-sized samples of the annual tree rings from a Tamarix located at the Nevada Test Site are used for validation of this methodology. The salt cedar was chosen since it had a single source of tritiated water that was well-characterized as it varied over time. The decay-corrected tritium activity of the water in which the salt cedar grew closely agrees with the organically bound tritium activity in its annual rings. This demonstrates that the milligram-sized samples used in tritium accelerator mass spectrometry are suited for reconstructing anthropogenic tritium levels in the environment. C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Univ Georgia, Ctr Appl Isotope Studies, Athens, GA 30602 USA. Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. RP Love, AH (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. FU NIEHS NIH HHS [P42 ES004705, P42 ES004705-180026, P42 ES04705-15] NR 27 TC 11 Z9 11 U1 4 U2 11 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 JUL 1 PY 2002 VL 36 IS 13 BP 2848 EP 2852 DI 10.1021/es015837o PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 569GA UT WOS:000176591600026 PM 12144257 ER PT J AU Gabelich, CJ Tran, TD Suffet, IH AF Gabelich, CJ Tran, TD Suffet, IH TI Electrosorption of inorganic salts from aqueous solution using carbon aerogels SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CAPACITIVE DEIONIZATION; ELECTRODES; REMOVAL; MODEL AB Capacitive deionization (CDI) with carbon aerogels has been shown to remove various inorganic species from aqueous solutions, though no studies have shown the electrosorption behavior of multisolute systems in which ions compete for limited surface area. Several experiments were conducted to determine the ion removal capacity and selectivity of carbon aerogel electrodes, using both laboratory and natural waters. Although carbon aerogel electrodes have been treated as electrical double-layer capacitors, this study showed that ion sorption followed a Langmuir isotherm, indicating monolayer adsorption. The sorption capacity of carbon aerogel electrodes was approximately 1.0-2.0 x 10(-4) equiv/g aerogel, with ion selectivity being based on ionic hydrated radius. Monovalent ions (e.g., sodium) with smaller hydrated radii were preferentially removed from solution over multivalent ions (e.g., calcium) on a percent or molar basis. Because of the relatively small average pore size (4-9 nm) of the carbon aerogel material, only 14-42 m(2)/g aerogel surface area was available for ion sorption. Natural organic matter may foul the aerogel surface and limit CDI effectiveness in treating natural waters. C1 Metropolitan Water Dist So Calif, La Verne, CA 91750 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Los Angeles, Los Angeles, CA 90624 USA. RP Gabelich, CJ (reprint author), Metropolitan Water Dist So Calif, La Verne, CA 91750 USA. NR 29 TC 230 Z9 242 U1 30 U2 174 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 JUL 1 PY 2002 VL 36 IS 13 BP 3010 EP 3019 DI 10.1021/es0112745 PG 10 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 569GA UT WOS:000176591600047 PM 12144279 ER PT J AU Bennett, DH Maddalena, RL MacLeod, M AF Bennett, DH Maddalena, RL MacLeod, M TI Applications of fugacity modeling and intake fraction to persistent pollutants SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Harvard Univ, Sch Publ Hlth, Boston, MA USA. Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. Trent Univ, Canadian Modeling Ctr, Peterborough, ON K9J 7B8, Canada. RI MacLeod, Matthew/D-5919-2013 OI MacLeod, Matthew/0000-0003-2562-7339 NR 0 TC 0 Z9 0 U1 0 U2 3 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 202 BP S115 EP S115 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600199 ER PT J AU Bogen, KT Cullen, J AF Bogen, KT Cullen, J TI Residential radon and lung cancer mortality in US women who predominantly never smoked: An ecological study SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Livermore Natl Lab, Hlth & Ecol Assess Div L396, Livermore, CA 94550 USA. Univ Calif San Francisco, Substance Abuse Treatment Res Ctr, Langley Porter Psychiat Inst, San Francisco, CA 94143 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 564 BP S181 EP S181 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600530 ER PT J AU Bogen, KT Keating, GA AF Bogen, KT Keating, GA TI Prostate cancer risk posed by cooked-meat heterocyclic amines SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Livermore Natl Lab, Hlth & Econ Assess Div, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 475 BP S164 EP S165 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600446 ER PT J AU Claiborn, C Pang, Y Finn, D Gundel, L Larson, T Liu, S AF Claiborn, C Pang, Y Finn, D Gundel, L Larson, T Liu, S TI The fine particulate organic carbon measurement artifact and its implications for exposure assessment SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Washington State Univ, Dept Civil & Environm Engn, Pullman, WA 99164 USA. Lawrence Berkeley Natl Lab, Env Energy Tech Div, Lawrence, KS USA. Univ Washington, Dept Environm Hlth, Seattle, WA 98195 USA. Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. RI Finn, Dennis/C-3204-2016 NR 0 TC 1 Z9 1 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 880 BP S238 EP S238 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600813 ER PT J AU DeSimone, C McKone, MC Marshall, JD AF DeSimone, C McKone, MC Marshall, JD TI How source location, population distribution, and pollutant travel distance affect exposure estimates for pollution prevention SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Northeastern Univ, Dept Toxicol, Boston, MA 02115 USA. Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 200 BP S115 EP S115 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600197 ER PT J AU Erdmann, CA Goth-Goldstein, R AF Erdmann, CA Goth-Goldstein, R TI Gene-environment interactions and breast cancer risk: The potential role of metabolic enzymes and PAH exposures SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 190 BP S113 EP S113 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600188 ER PT J AU Furtaw, EJ Bennett, DH McKone, TE AF Furtaw, EJ Bennett, DH McKone, TE TI An indoor pesticide air and surface concentration model SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 US EPA, Natl Exposure Res Lab, Las Vegas, NV 89193 USA. Harvard Univ, Sch Publ Hlth, Boston, MA USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Indoor Environm Dept, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 225 BP S119 EP S120 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600221 ER PT J AU Keating, GA Buchholz, BA Vogel, JS AF Keating, GA Buchholz, BA Vogel, JS TI Interactions of organophosphate binding in blood and brain after low level exposure SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RI Buchholz, Bruce/G-1356-2011 NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 890 BP S240 EP S240 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600822 ER PT J AU Kim, JJ Smorodinsky, S Ostro, B Lipsett, M Singer, BC Hogdson, AT AF Kim, JJ Smorodinsky, S Ostro, B Lipsett, M Singer, BC Hogdson, AT TI Traffic-related air pollution and respiratory health: The East Bay Children's Respiratory Health Study SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. NR 0 TC 6 Z9 6 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 114 BP S100 EP S100 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600122 ER PT J AU Maddalena, RL Sohn, MD AF Maddalena, RL Sohn, MD TI Extending sensitivity analysis methods beyond the input/output relationship SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 222 BP S119 EP S119 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600218 ER PT J AU Marshall, JD Riley, WJ McKone, TE Nazaroff, WW AF Marshall, JD Riley, WJ McKone, TE Nazaroff, WW TI Population, proximity, and persistence, incorporating exposure into life-cycle assessment SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Univ Calif Berkeley, Berkeley, CA USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Nazaroff, William/C-4106-2008; Riley, William/D-3345-2015 OI Nazaroff, William/0000-0001-5645-3357; Riley, William/0000-0002-4615-2304 NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 205 BP S116 EP S116 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600202 ER PT J AU McKone, TE Maddalena, RL AF McKone, TE Maddalena, RL TI Eight years of model evaluation: The CalTOX experience SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 216 BP S118 EP S118 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600213 ER PT J AU Mendell, MJ AF Mendell, MJ TI The epidemiology of symptoms attributed to indoor air quality SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 NIOSH, Bethesda, MD USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 273 BP S128 EP S128 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600262 ER PT J AU Mendell, MJ Naco, GM Wilcox, TG Sieber, WK AF Mendell, MJ Naco, GM Wilcox, TG Sieber, WK TI Lower respiratory symptom-based outcome definitions to assess risk factors for microbiologic contamination in office buildings SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 US FDA, Rockville, MD 20857 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NIOSH, Bethesda, MD USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 271 BP S128 EP S128 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600260 ER PT J AU Murphy, DL Maddalena, R Langstaff, J Jones, B Lee, RM Eyth, A Lyon, BF McVey, M Laniak, G AF Murphy, DL Maddalena, R Langstaff, J Jones, B Lee, RM Eyth, A Lyon, BF McVey, M Laniak, G TI Evaluation of the TRIM.FaTE multi-media model - A mercury case study SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 US EPA, Res Triangle Pk, NC 27711 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Tennessee, Knoxville, TN 37996 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 215 BP S118 EP S118 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600212 ER PT J AU Ott, WR Siegmann, HC AF Ott, WR Siegmann, HC TI Identifying fine particle combustion sources and source strengths using real-time measurement methods SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Stanford Univ, Dept Stat, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 860 BP S234 EP S234 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600793 ER PT J AU Poet, KS Kousba, A Wu, H Timchalk, C AF Poet, KS Kousba, A Wu, H Timchalk, C TI Physiologically based pharmacokinetic/pharmacodynamic modeling of organophosphate pesticides for biologically based risk assessments SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Battelle Mem Inst, Pacific NW Div, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 888 BP S240 EP S240 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600820 ER PT J AU Riley, WJ Hubal, EAC McKone, TE AF Riley, WJ Hubal, EAC McKone, TE TI Linking dermal modeling and loading data to predict long-term doses from intermittent dermal contact SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. US EPA, Washington, DC USA. Lawrence Berkeley Lab, Berkeley, CA USA. RI Riley, William/D-3345-2015 OI Riley, William/0000-0002-4615-2304 NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 230 BP S120 EP S121 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600226 ER PT J AU Shendell, DG Lee, SM Apte, MG DiBartolomeo, DD Sullivan, DP Liff, SM Fisk, WJ Rainer, LI AF Shendell, DG Lee, SM Apte, MG DiBartolomeo, DD Sullivan, DP Liff, SM Fisk, WJ Rainer, LI TI Assessment of noise exposures in new relocatable classrooms with standard and advanced HVAC systems SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA USA. Univ Calif Los Angeles, Sch Publ Hlth, Environm Sci & Engn Program, Los Angeles, CA USA. NE Univ, Boston, MA USA. Davis Energy Grp, Davis, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 806 BP S223 EP S223 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600740 ER PT J AU Shendell, DG Hodgson, AT Lee, SM Sullivan, DP Hotchi, T Fisk, WJ Apte, MG AF Shendell, DG Hodgson, AT Lee, SM Sullivan, DP Hotchi, T Fisk, WJ Apte, MG TI VOCs in new relocatable classrooms: Assessment of school-day exposures comparing interior finish material and HVAC systems SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Univ Calif Los Angeles, Sch Publ Hlth, Environm Sci & Engn Program, Los Angeles, CA 90024 USA. Lawrence Berkeley Lab, Indoor Environm Dept, EETD, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 363 BP S143 EP S144 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600342 ER PT J AU Singer, BC Hodgson, AT Hotchi, T Kim, JJ AF Singer, BC Hodgson, AT Hotchi, T Kim, JJ TI Air monitoring for the East Bay Children's Respiratory Health Study: Traffic-related pollutant concentrations SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. Calif EPA, Off Environm Hlth Hazard Assessment, Air Toxicol & Epidemiol Sect, Oakland, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 115 BP S100 EP S100 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600123 ER PT J AU Sohn, MD McKone, TE Rigas, ML Blancato, JN AF Sohn, MD McKone, TE Rigas, ML Blancato, JN TI Reconstructing exposures to populations: Are complex models necessary? SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. US EPA, Natl Exposure Res Lab, Las Vegas, NV 89193 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 220 BP S119 EP S119 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600216 ER PT J AU Wright, JM Murphy, PA AF Wright, JM Murphy, PA TI Strengthening links between epidemiology and traditional risk assessment approaches using human data to explore improved exposure assessment methodologies SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 US EPA, Natl Ctr Environm Assessment, Res Triangle Pk, NC USA. Oak Ridge Inst Sci & Educ, Post Doctoral Program, Oak Ridge, TN USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 161 BP S108 EP S108 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600162 ER PT J AU Wright, JM Bateson, TF AF Wright, JM Bateson, TF TI Sensitivity analyses of disinfection by-product exposure estimates SO EPIDEMIOLOGY LA English DT Meeting Abstract C1 Oak Ridge Inst Sci & Educ, Post Doctoral Program, Oak Ridge, TN USA. US EPA, Natl Ctr Environm Assessment, Res Triangle Pk, NC USA. Harvard Univ, Sch Publ Hlth, Cambridge, MA 02138 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 1044-3983 J9 EPIDEMIOLOGY JI Epidemiology PD JUL PY 2002 VL 13 IS 4 MA 162 BP S108 EP S108 PG 1 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 565PL UT WOS:000176378600163 ER PT J AU Tobin, KW Karnowski, TP Arrowood, LF Ferrell, RK Goddard, JS Lakhani, F AF Tobin, KW Karnowski, TP Arrowood, LF Ferrell, RK Goddard, JS Lakhani, F TI Content-based image retrieval for semiconductor process characterization SO EURASIP JOURNAL ON APPLIED SIGNAL PROCESSING LA English DT Article DE content-based image retrieval; semiconductor manufacturing; image indexing; automatic defect classification; approximate nearest neighbors ID ENVIRONMENT; SYSTEMS AB linage data management in the semiconductor manufacturing environment is becoming more problematic as the size of silicon wafers continues to increase, while the dimension of critical features continues to shrink. Fabricators rely on a growing host of image-generating inspection tools to monitor complex device manufacturing processes. These inspection tools include optical and laser scattering microscopy, confocal microscopy, scanning electron microscopy, and atomic force microscopy. The number of images that are being generated are on the order of 20,000 to 30,000 each week in some fabrication facilities today. Manufacturers currently maintain on the order of 500,000 images in their data management systems for extended periods of time. Gleaning the historical value from these large image repositories for yield improvement is difficult to accomplish using the standard database methods currently associated with these data sets (e.g., performing queries based on time and date, lot numbers, wafer identification numbers, etc.). Researchers at the Oak Ridge National Laboratory have developed and tested a content-based image retrieval technology that is specific to manufacturing environments. In this paper, we describe the feature representation of semiconductor defect images along with methods of indexing and retrieval, and results from initial field-testing in the semiconductor manufacturing environment. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Int SEMATECH, Austin, TX 78741 USA. RP Tobin, KW (reprint author), Oak Ridge Natl Lab, POB 2008,Bldg 3500,MS-6010, Oak Ridge, TN 37831 USA. NR 21 TC 3 Z9 3 U1 0 U2 0 PU HINDAWI PUBLISHING CORPORATION PI CAYAHOGA FALLS PA PO BOX 3079, CAYAHOGA FALLS, OH 44233 USA SN 1110-8657 J9 EURASIP J APPL SIG P JI EURASIP J Appl. Signal Process. PD JUL PY 2002 VL 2002 IS 7 BP 704 EP 713 DI 10.1155/S1110865702203017 PG 10 WC Engineering, Electrical & Electronic SC Engineering GA 585LY UT WOS:000177527300007 ER PT J AU Resat, H Baginski, M AF Resat, H Baginski, M TI Ion passage pathways and thermodynamics of the amphotericin B membrane channel SO EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS LA English DT Article DE molecular simulation; Poisson-Boltzmann equation; free energy; ion channel; ion transport ID LIPID-BILAYER-MEMBRANES; ONE-SIDED ACTION; SELECTIVE TOXICITY; METHYL-ESTER; CONFORMATIONAL-ANALYSIS; PHOSPHOLIPID-BILAYERS; BIOLOGICAL-MEMBRANES; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; SELF-ASSOCIATION AB Amphotericin B is a polyene macrolide antibiotic used to treat systemic fungal infections. Amphotericin B's chemotherapeutic action requires the formation of transmembrane channels, which are known to transmit monovalent ions. We have investigated the ion passage pathways through the pore of a realistic model structure of the channel and computed the associated thermodynamic properties. Our calculations combined the free energy computations using the Poisson equation with a continuum solvent model and the molecular simulations in which solvent molecules were present explicitly. It was found that there are no substantial structural barriers to a single sodium or chloride ion passage. Thermodynamic free energy calculations showed that the path along which the ions prefer to move is off center from the channel's central axis. In accordance with experiments, Monte Carlo molecular simulations established that sodium ions can pass through the pore. When it encounters a chloride anion in the channel, the sodium cation prefers to form a solvent-bridged pair configuration with the anion. C1 Koc Univ, Dept Phys, Istanbul, Turkey. Gdansk Univ Technol, Dept Pharmaceut Technol & Biochem, Fac Chem, PL-80952 Gdansk, Poland. RP Resat, H (reprint author), Pacific NW Natl Lab, POB 999,Mail Stop K1-83, Richland, WA 99352 USA. EM haluk.resat@pnl.gov RI Baginski, Maciej/C-9201-2011 NR 83 TC 19 Z9 20 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7571 EI 1432-1017 J9 EUR BIOPHYS J BIOPHY JI Eur. Biophys. J. Biophys. Lett. PD JUL PY 2002 VL 31 IS 4 BP 294 EP 305 DI 10.1007/s00249-002-0214-6 PG 12 WC Biophysics SC Biophysics GA 580NQ UT WOS:000177241000007 PM 12122476 ER PT J AU Pfutzner, M Badura, E Bingham, C Blank, B Chartier, M Geissel, H Giovinazzo, J Grigorenko, LV Grzywacz, R Hellstrom, M Janas, Z Kurcewicz, J Lalleman, AS Mazzocchi, C Mukha, I Munzenberg, G Plettner, C Roeckl, E Rykaczewski, KP Schmidt, K Simon, RS Stanoiu, M Thomas, JC AF Pfutzner, M Badura, E Bingham, C Blank, B Chartier, M Geissel, H Giovinazzo, J Grigorenko, LV Grzywacz, R Hellstrom, M Janas, Z Kurcewicz, J Lalleman, AS Mazzocchi, C Mukha, I Munzenberg, G Plettner, C Roeckl, E Rykaczewski, KP Schmidt, K Simon, RS Stanoiu, M Thomas, JC TI First evidence for the two-proton decay of Fe-45 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID 2-PROTON RADIOACTIVITY; RICH NUCLEI; EMISSION; NI-48 AB Decays of five Fe-45 atoms have been observed at the fragment separator of GSI. Whereas one event is consistent with the beta-decay of Fe-45 accompanied by the emission of a 10 MeV proton, four decays are consistent with the emission of particle(s) of total energy 1.1 +/- 0.1 MeV. This observation represents the first evidence for two-proton ground-state radioactivity, a decay mode predicted for Fe-45. The time distribution of the observed decay events corresponds to a half-life of 3.2(-1.0)(+2.6) ms. C1 Univ Warsaw, Inst Expt Phys, PL-00681 Warsaw, Poland. GSI Darmstadt, D-64291 Darmstadt, Germany. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. CEN Bordeaux Gradignan, F-33175 Gradignan, France. Univ Liverpool, Dept Phys, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Univ Edinburgh, Dept Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland. GANIL, F-14021 Caen, France. RP Pfutzner, M (reprint author), Univ Warsaw, Inst Expt Phys, Hoza 69, PL-00681 Warsaw, Poland. OI Mukha, Ivan/0000-0003-3072-5670 NR 24 TC 177 Z9 184 U1 5 U2 10 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD JUL PY 2002 VL 14 IS 3 BP 279 EP 285 DI 10.1140/epja/i2002-10033-9 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 588YD UT WOS:000177729100004 ER PT J AU Andreoiu, C Rudolph, D Ragnarsson, I Fahlander, C Austin, RAE Carpenter, MP Clark, RM Ekman, J Janssens, RVF Khoo, TL Kondev, FG Lauritsen, T Rodinger, T Sarantites, DG Seweryniak, D Steinhardt, T Svensson, CE Thelen, O Waddington, JC AF Andreoiu, C Rudolph, D Ragnarsson, I Fahlander, C Austin, RAE Carpenter, MP Clark, RM Ekman, J Janssens, RVF Khoo, TL Kondev, FG Lauritsen, T Rodinger, T Sarantites, DG Seweryniak, D Steinhardt, T Svensson, CE Thelen, O Waddington, JC TI Evolution of shapes in Cu-59 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID A-SIMILAR-TO-60 MASS REGION; PARTICLE-HOLE EXCITATIONS; CARLO SHELL-MODEL; HIGH-SPIN; ROTATIONAL BANDS; SUPERDEFORMED BAND; RESPONSE CHARACTERISTICS; NI-56; DECAY; COLLECTIVITY AB High-spin states in Cu-59 were populated using the fusion-evaporation reaction Si-28 + Ca-40 at a beam energy of 122 MeV. The Gammasphere Ge-detector array in conjunction with the 4pi charged-particle detector array Microball allowed for the detection of gamma-rays in coincidence with evaporated light particles. The resulting extensive high-spin decay scheme of Cu-59 is presented, which comprises more than 320 gamma-ray transitions connecting about 150 excited states. Their spins and parities have been assigned via directional correlations of gamma-rays emitted from oriented states. Average quadrupole moments of rotational bands have been determined from the analysis of residual Doppler shifts. Shell model calculations in the fp shell are invoked to study some of the low-spin states, while the experimental characteristics of the rotational bands are analyzed in the configuration-dependent cranked Nilsson-Strutinsky (CNS) approach. C1 Lund Univ, Dept Phys, S-22100 Lund, Sweden. Lund Inst Technol, Dept Math Phys, S-22100 Lund, Sweden. McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Univ Cologne, Inst Kernphys, D-50937 Cologne, Germany. RP Andreoiu, C (reprint author), Univ Liverpool, Oliver Lodge Lab, POB 147, Liverpool L69 3BX, Merseyside, England. 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 NR 41 TC 36 Z9 36 U1 2 U2 4 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD JUL PY 2002 VL 14 IS 3 BP 317 EP 348 DI 10.1140/epja/i2002-10011-3 PG 32 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 588YD UT WOS:000177729100008 ER PT J AU Maier, KH Rejmund, M AF Maier, KH Rejmund, M TI Shell model interaction between proton holes and between proton holes and neutron particles around Pb-208 SO EUROPEAN PHYSICAL JOURNAL A LA English DT Article ID NUCLEI; STATES AB An effective residual interaction between particles and holes for shell model calculations around Pb-208, derived from the interaction between free nucleons, is compared with the measured properties of proton-hole neutron states in Tl-208 and the interaction between proton holes is adjusted to newly measured level energies in Hg-206. These interaction elements are particularly relevant for neutron-rich nuclei. The adjustment of two mixing elements reproduces the known gamma-decay data in Tl-208. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. CEA Saclay, SPhN, DAPINA, F-91191 Gif Sur Yvette, France. RP Maier, KH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 28 TC 8 Z9 8 U1 0 U2 1 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD JUL PY 2002 VL 14 IS 3 BP 349 EP 353 DI 10.1140/epja/i2002-10006-0 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 588YD UT WOS:000177729100009 ER PT J AU Chekanov, S Krakauer, D Magill, S Musgrave, B Pellegrino, A Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Levi, G Margotti, A Massam, T Nania, R Palmonari, F Pesci, A Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Crittenden, J Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kappes, A Katz, UF Kerger, R Kind, O Paul, E Rautenberg, J Renner, R Schnurbusch, H Stifutkin, A Tandler, J Voss, KC Weber, A Wessoleck, H Bailey, DS Brook, NH Cole, JE Foster, B Heath, GP Heath, HF Robins, S Rodrigues, E Scott, J Tapper, RJ Wing, M Capua, M Mastroberardino, A Schioppa, M Susinno, G Kim, JY Kim, YK Lee, JH Lim, IT Pac, MY Caldwell, A Helbich, M Liu, X Mellado, B Paganis, S Schmidke, WB Sciulli, F Chwastowski, J Eskreys, A Figiel, J Olkiewicz, K Przybycien, MB Stopa, P Zawiejski, L Bednarek, B Grabowska-Bold, I Jelen, K Kisielewska, D Kowal, AM Kowal, M Kowalski, T Mindur, B Przybycien, M Rulikowska-Zarebska, E Suszycki, L Szuba, D Szuba, J Kotanski, A Slominski, W Bauerdick, LAT Behrens, U Borras, K Chiochia, V Dannheim, D Derrick, M Desler, K Drews, G Fourletova, J Fox-Murphy, A Fricke, U Geiser, A Goebel, F Gottlicher, P Graciani, R Haas, T Hain, W Hartner, GF Hillert, S Kotz, U Kowalski, H Labes, H Lelas, D Lohr, B Mankel, R Martinez, M Moritz, M Notz, D Petrucci, MC Polini, A Schneekloth, U Selonke, F Surrow, B Wichmann, R Wolf, G Youngman, C Zeuner, W Viani, ALD Meyer, A Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Coppola, N Markun, P Raach, H Wolfle, S Bell, M Bussey, PJ Doyle, AT Glasman, C Hanlon, S Lee, SW Lupi, A McCance, GJ Saxon, DH Skillicorn, IO Bodmann, B Holm, U Salehi, H Wick, K Ziegler, A Ziegler, A Carli, T Gialas, I Klimek, K Lohrmann, E Milite, M Stonjek, S Collins-Tooth, C Foudas, C Goncalo, R Long, KR Metlica, F Miller, DB Tapper, AD Walker, R Cloth, P Filges, D Kuze, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Ahn, SH Lee, SB Park, SK Lim, H Son, D Barreiro, F Garcia, G Gonzalez, O Labarga, L del Peso, J Redondo, I Terron, J Vazquez, M Barbi, M Bertolin, A Corriveau, F Ochs, A Padhi, S Stairs, DG St-Laurent, M Tsurugai, T Antonov, A Bashkirov, V Danilov, P Dolgoshein, BA Gladkov, D Sosnovtsev, V Suchkov, S Dementiev, RK Ermolov, PF Golubkov, YA Katkov, II Khein, LA Korotkova, NA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Solomin, AN Vlasov, NN Zotkin, SA Bokel, C Engelen, J Grijpink, S Koffeman, E Kooijman, P Maddox, E Schagen, S Tassi, E Tiecke, H Tuning, N Velthuis, JJ Wiggers, L de Wolf, E Brummer, N Bylsma, B Durkin, LS Gilmore, J Ginsburg, CM Kim, CL Ling, TY Boogert, S Cooper-Sarkar, AM Devenish, RCE Ferrando, J Matsushita, T Rigby, M Ruske, O Sutton, MR Walczak, R Brugnera, R Carlin, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Parenti, A Posocco, M Stanco, L Turcato, M Adamczyk, L Heaphy, EA Oh, BY Saull, PRB Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cormack, C Hart, JC McCubbin, NA Heusch, C Park, IH Pavel, N Abramowicz, H Dagan, S Gabareen, A Kananov, S Kreisel, A Levy, A Abe, T Fusayasu, T Kohno, T Umemori, K Yamashita, T Hamatsu, R Hirose, T Inuzuka, M Kitamura, S Matsuzawa, K Nishimura, T Arneodo, M Cartiglia, N Cirio, R Costa, M Ferrero, MI Maselli, S Monaco, V Peroni, C Ruspa, M Sacchi, R Solano, A Staiano, A Galea, R Koop, T Levman, GM Martin, JF Mirea, A Sabetfakhri, A Butterworth, JM Gwenlan, C Hall-Wilton, R Jones, TW Lane, JB Lightwood, MS Loizides, JH West, BJ Ciborowski, J Ciesielski, R Grzelak, G Nowak, RJ Pawlak, JM Smalska, B Sztuk, J Tymieniecka, T Ukleja, A Ukleja, J Zakrzewski, JA Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Gladilin, LK Hochman, D Karshon, U Kcira, D Lammers, S Reeder, DD Savin, AA Smith, WH Deshpande, A Dhawan, S Hughes, VW Straub, PB Bhadra, S Catterall, CD Fourletov, S Menary, S Soares, M Standage, J AF Chekanov, S Krakauer, D Magill, S Musgrave, B Pellegrino, A Repond, J Yoshida, R Mattingly, MCK Antonioli, P Bari, G Basile, M Bellagamba, L Boscherini, D Bruni, A Bruni, G Romeo, GC Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Giusti, P Iacobucci, G Levi, G Margotti, A Massam, T Nania, R Palmonari, F Pesci, A Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Crittenden, J Goers, S Hartmann, H Hilger, E Irrgang, P Jakob, HP Kappes, A Katz, UF Kerger, R Kind, O Paul, E Rautenberg, J Renner, R Schnurbusch, H Stifutkin, A Tandler, J Voss, KC Weber, A Wessoleck, H Bailey, DS Brook, NH Cole, JE Foster, B Heath, GP Heath, HF Robins, S Rodrigues, E Scott, J Tapper, RJ Wing, M Capua, M Mastroberardino, A Schioppa, M Susinno, G Kim, JY Kim, YK Lee, JH Lim, IT Pac, MY Caldwell, A Helbich, M Liu, X Mellado, B Paganis, S Schmidke, WB Sciulli, F Chwastowski, J Eskreys, A Figiel, J Olkiewicz, K Przybycien, MB Stopa, P Zawiejski, L Bednarek, B Grabowska-Bold, I Jelen, K Kisielewska, D Kowal, AM Kowal, M Kowalski, T Mindur, B Przybycien, M Rulikowska-Zarebska, E Suszycki, L Szuba, D Szuba, J Kotanski, A Slominski, W Bauerdick, LAT Behrens, U Borras, K Chiochia, V Dannheim, D Derrick, M Desler, K Drews, G Fourletova, J Fox-Murphy, A Fricke, U Geiser, A Goebel, F Gottlicher, P Graciani, R Haas, T Hain, W Hartner, GF Hillert, S Kotz, U Kowalski, H Labes, H Lelas, D Lohr, B Mankel, R Martinez, M Moritz, M Notz, D Petrucci, MC Polini, A Schneekloth, U Selonke, F Surrow, B Wichmann, R Wolf, G Youngman, C Zeuner, W Viani, ALD Meyer, A Schlenstedt, S Barbagli, G Gallo, E Genta, C Pelfer, PG Bamberger, A Benen, A Coppola, N Markun, P Raach, H Wolfle, S Bell, M Bussey, PJ Doyle, AT Glasman, C Hanlon, S Lee, SW Lupi, A McCance, GJ Saxon, DH Skillicorn, IO Bodmann, B Holm, U Salehi, H Wick, K Ziegler, A Ziegler, A Carli, T Gialas, I Klimek, K Lohrmann, E Milite, M Stonjek, S Collins-Tooth, C Foudas, C Goncalo, R Long, KR Metlica, F Miller, DB Tapper, AD Walker, R Cloth, P Filges, D Kuze, M Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Ahn, SH Lee, SB Park, SK Lim, H Son, D Barreiro, F Garcia, G Gonzalez, O Labarga, L del Peso, J Redondo, I Terron, J Vazquez, M Barbi, M Bertolin, A Corriveau, F Ochs, A Padhi, S Stairs, DG St-Laurent, M Tsurugai, T Antonov, A Bashkirov, V Danilov, P Dolgoshein, BA Gladkov, D Sosnovtsev, V Suchkov, S Dementiev, RK Ermolov, PF Golubkov, YA Katkov, II Khein, LA Korotkova, NA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Solomin, AN Vlasov, NN Zotkin, SA Bokel, C Engelen, J Grijpink, S Koffeman, E Kooijman, P Maddox, E Schagen, S Tassi, E Tiecke, H Tuning, N Velthuis, JJ Wiggers, L de Wolf, E Brummer, N Bylsma, B Durkin, LS Gilmore, J Ginsburg, CM Kim, CL Ling, TY Boogert, S Cooper-Sarkar, AM Devenish, RCE Ferrando, J Matsushita, T Rigby, M Ruske, O Sutton, MR Walczak, R Brugnera, R Carlin, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Parenti, A Posocco, M Stanco, L Turcato, M Adamczyk, L Heaphy, EA Oh, BY Saull, PRB Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cormack, C Hart, JC McCubbin, NA Heusch, C Park, IH Pavel, N Abramowicz, H Dagan, S Gabareen, A Kananov, S Kreisel, A Levy, A Abe, T Fusayasu, T Kohno, T Umemori, K Yamashita, T Hamatsu, R Hirose, T Inuzuka, M Kitamura, S Matsuzawa, K Nishimura, T Arneodo, M Cartiglia, N Cirio, R Costa, M Ferrero, MI Maselli, S Monaco, V Peroni, C Ruspa, M Sacchi, R Solano, A Staiano, A Galea, R Koop, T Levman, GM Martin, JF Mirea, A Sabetfakhri, A Butterworth, JM Gwenlan, C Hall-Wilton, R Jones, TW Lane, JB Lightwood, MS Loizides, JH West, BJ Ciborowski, J Ciesielski, R Grzelak, G Nowak, RJ Pawlak, JM Smalska, B Sztuk, J Tymieniecka, T Ukleja, A Ukleja, J Zakrzewski, JA Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Gladilin, LK Hochman, D Karshon, U Kcira, D Lammers, S Reeder, DD Savin, AA Smith, WH Deshpande, A Dhawan, S Hughes, VW Straub, PB Bhadra, S Catterall, CD Fourletov, S Menary, S Soares, M Standage, J CA ZEUS Collaboration TI Exclusive photoproduction of J/psi mesons at HERA SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID CENTRAL TRACKING DETECTOR; ZEUS BARREL CALORIMETER; VECTOR-MESON; PARTON DISTRIBUTIONS; ELASTIC PHOTOPRODUCTION; MONTE-CARLO; DIFFRACTIVE PHOTOPRODUCTION; PROTON SCATTERING; EVENT GENERATOR; GLOBAL ANALYSIS AB The exclusive photoproduction of J/psi mesons, gammap --> J/psip, has been studied in ep collisions with the ZEUS detector at HERA, in the kinematic range 20 < W < 290 GeV, where W is the photon-proton centre-of-mass energy. The J/psi mesons were reconstructed in the union and the electron decay channels using integrated luminosities of 38 pb(-1) and 55 pb(-1), respectively. The helicity structure of J/psi production shows that the hypothesis of s-channel helicity conservation is satisfied within two standard deviations. The total cross section and the differential cross-section dsigma/dt, where t is the squared four-momentum transfer at the proton vertex, are presented as a function of W, for \t\ < 1.8 GeV2. The t distribution exhibits an exponential shape with a slope parameter increasing logarithmically with W with a value b = 4.15 +/- 0.05(stat.)(-0.18)(+0.30)(syst.) GeV-2 at W = 90 GeV. The effective parameters of the Pomeron trajectory are alpha(P)(0) = 1.200 +/- 0.009(stat.)(-0.010)(+0.004) (syst.) and alpha(P)' = 0.115 +/- 0.018(stat.)(-0.015)(+0.008) (syst.) GeV-2. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Univ Bologna, Bologna, Italy. Ist Nazl Fis Nucl, I-40126 Bologna, Italy. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. Univ Calabria, Dept Phys, I-87036 Cosenza, Italy. Ist Nazl Fis Nucl, Cosenza, Italy. Chonnam Natl Univ, Kwangju, South Korea. Columbia Univ, Nevis Labs, Irvington, NY 10027 USA. Inst Nucl Phys, Krakow, Poland. Stanislaw Staszic Univ Min & Met, Fac Phys & Nucl Tech, PL-30059 Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY Zeuthen, Zeuthen, Germany. Univ Florence, Florence, Italy. Ist Nazl Fis Nucl, I-50125 Florence, Italy. Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. Univ Hamburg, Inst Expt Phys 1, Hamburg, Germany. Univ Hamburg, Inst Expt Phys 2, D-2000 Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. Forschungszentrum Julich, Inst Kernphys, D-5170 Julich, Germany. KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Korea Univ, Seoul 136701, South Korea. Kyungpook Natl Univ, Taegu 702701, South Korea. Univ Autonoma Madrid, Dept Fis Teor, Madrid, Spain. McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Meiji Gakuin Univ, Fac Gen Educ, Yokohama, Kanagawa, Japan. Moscow Engn Phys Inst, Moscow 115409, Russia. Moscow MV Lomonosov State Univ, Inst Nucl Phys, Moscow, Russia. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Univ Amsterdam, Amsterdam, Netherlands. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Univ Oxford, Dept Phys, Oxford, England. Univ Padua, Dipartimento Fis, Padua, Italy. Ist Nazl Fis Nucl, Padua, Italy. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Polytech Univ, Sagamihara, Kanagawa, Japan. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, Rome, Italy. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA. Seoul Natl Univ, Seoul, South Korea. Univ Siegen, Fachbereich Phys, D-57068 Siegen, Germany. Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. Univ Turin, Dipartimento Fis Sperimentale, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. UCL, Dept Phys & Astron, London, England. Warsaw Univ, Inst Expt Phys, Warsaw, Poland. Inst Nucl Studies, PL-00681 Warsaw, Poland. Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Yale Univ, Dept Phys, New Haven, CT 06520 USA. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. Univ Piemonte Orientale, Novara, Italy. Univ Lodz, PL-90131 Lodz, Poland. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Tassi, Enrico/K-3958-2015; Gladilin, Leonid/B-5226-2011; Solomin, Anatoly/C-3072-2016; Suchkov, Sergey/M-6671-2015; dusini, stefano/J-3686-2012; Goncalo, Ricardo/M-3153-2016; Graciani Diaz, Ricardo/I-5152-2016; Katz, Uli/E-1925-2013; Wiggers, Leo/B-5218-2015; De Pasquale, Salvatore/B-9165-2008; Wing, Matthew/C-2169-2008; Bashkirov, Vladimir/A-4818-2008; Doyle, Anthony/C-5889-2009; collins-tooth, christopher/A-9201-2012; Ferrando, James/A-9192-2012; Golubkov, Yury/E-1643-2012; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012 OI Gladilin, Leonid/0000-0001-9422-8636; dusini, stefano/0000-0002-1128-0664; Goncalo, Ricardo/0000-0002-3826-3442; Graciani Diaz, Ricardo/0000-0001-7166-5198; Arneodo, Michele/0000-0002-7790-7132; Martinez Rodriguez, Manel/0000-0002-9763-9155; Chwastowski, Janusz/0000-0002-6190-8376; Katz, Uli/0000-0002-7063-4418; Wiggers, Leo/0000-0003-1060-0520; De Pasquale, Salvatore/0000-0001-9236-0748; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; NR 64 TC 174 Z9 174 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD JUL PY 2002 VL 24 IS 3 BP 345 EP 360 DI 10.1007/s10052-002-0953-7 PG 16 WC Physics, Particles & Fields SC Physics GA 580KD UT WOS:000177233000001 ER PT J AU Ayvazyan, V Baboi, N Bohnet, I Brinkmann, R Castellano, M Castro, P Catani, L Choroba, S Cianchi, A Dohlus, M Edwards, HT Faatz, B Fateev, AA Feldhaus, J Flottmann, K Gamp, A Garvey, T Genz, H Gerth, C Gretchko, V Grigoryan, BH Hahn, U Hessler, C Honkavaara, K Huning, M Ischebeck, R Jablonka, M Kamps, T Korfer, M Krassilnikov, M Krzywinski, J Liepe, M Liero, A Limberg, T Loos, H Luong, M Magne, C Menzel, J Michelato, P Minty, M Muller, UC Nolle, D Novokhatski, A Pagani, C Peters, F Pfluger, J Piot, P Plucinski, L Rehlich, K Reyzl, I Richter, A Rossbach, J Saldin, EL Sandner, W Schlarb, H Schmidt, G Schmuser, P Schneider, JR Schneidmiller, EA Schreiber, HJ Schreiber, S Sertore, D Setzer, S Simrock, S Sobierajski, R Sonntag, B Steeg, B Stephan, F Sytchev, KP Tiedtke, K Tonutti, M Treusch, R Trines, D Turke, D Verzilov, V Wanzenberg, R Weiland, T Weise, H Wendt, M Wilhein, T Will, I Wittenburg, K Wolff, S Yurkov, MV Zapfe, K AF Ayvazyan, V Baboi, N Bohnet, I Brinkmann, R Castellano, M Castro, P Catani, L Choroba, S Cianchi, A Dohlus, M Edwards, HT Faatz, B Fateev, AA Feldhaus, J Flottmann, K Gamp, A Garvey, T Genz, H Gerth, C Gretchko, V Grigoryan, BH Hahn, U Hessler, C Honkavaara, K Huning, M Ischebeck, R Jablonka, M Kamps, T Korfer, M Krassilnikov, M Krzywinski, J Liepe, M Liero, A Limberg, T Loos, H Luong, M Magne, C Menzel, J Michelato, P Minty, M Muller, UC Nolle, D Novokhatski, A Pagani, C Peters, F Pfluger, J Piot, P Plucinski, L Rehlich, K Reyzl, I Richter, A Rossbach, J Saldin, EL Sandner, W Schlarb, H Schmidt, G Schmuser, P Schneider, JR Schneidmiller, EA Schreiber, HJ Schreiber, S Sertore, D Setzer, S Simrock, S Sobierajski, R Sonntag, B Steeg, B Stephan, F Sytchev, KP Tiedtke, K Tonutti, M Treusch, R Trines, D Turke, D Verzilov, V Wanzenberg, R Weiland, T Weise, H Wendt, M Wilhein, T Will, I Wittenburg, K Wolff, S Yurkov, MV Zapfe, K TI A new powerful source for coherent VUV radiation: Demonstration of exponential growth and saturation at the TTF free-electron laser SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article ID TESLA-TEST-FACILITY; AMPLIFIED SPONTANEOUS-EMISSION; RF GUN; FEL; GAIN; DESY; OPERATION; UNDULATOR; INJECTOR; DESIGN AB We present experimental evidence that the free-electron laser at the TESLA Test Facility has reached the maximum power gain of 10(7) in the vacuum ultraviolet (VUV) region at wavelengths between 80 and 120 nm. At saturation the FEL emits short pulses with GW peak power and a high degree of transverse coherence. The radiation pulse length can be adjusted between 30 fs and 100 fs. Radiation spectra and fluctuation properties agree with the theory of high gain, single-pass free-electron lasers starting from shot noise. C1 CEA Saclay, F-91191 Gif Sur Yvette, France. TH Darmstadt, FB 18, Fachgebiet TEMF, D-64289 Darmstadt, Germany. Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. DESY, D-15738 Zeuthen, Germany. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Hamburg, Inst Phys Expt, D-20603 Hamburg, Germany. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Ist Nazl Fis Nucl, LASA, I-20090 Segrate, MI, Italy. Ist Nazl Fis Nucl, I-00100 Rome, Italy. Russian Acad Sci, Inst Nucl Res, Moscow 117312, Russia. Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. Univ Paris 11, IN2P3, CNRS, Lab Accelerateur Lineaire, F-91898 Orsay, France. Max Born Inst, D-12489 Berlin, Germany. Rhein Westfal TH Aachen, Phys Zentrum, Phys Inst 3A, D-52056 Aachen, Germany. Warsaw Univ Technol, Inst Phys, Warsaw, Poland. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Ayvazyan, V (reprint author), DESY, Notkestr 85, D-22603 Hamburg, Germany. RI Cianchi, Alessandro/H-1493-2012; Sobierajski, Ryszard/E-7619-2012; Plucinski, Lukasz/J-4987-2013; Feldhaus, Josef/C-1130-2014; Treusch, Rolf/C-3935-2015; Cianchi, Alessandro/A-9581-2016; OI Treusch, Rolf/0000-0001-8479-8862; PAGANI, CARLO/0000-0003-4962-5741; Simrock, Stefan/0000-0002-1116-5316; Plucinski, Lukasz/0000-0002-6865-7274; Cianchi, Alessandro/0000-0002-9631-2505; Loos, Henrik/0000-0001-5085-0562 NR 39 TC 81 Z9 84 U1 0 U2 13 PU SPRINGER-VERLAG PI NEW YORK PA 175 FIFTH AVE, NEW YORK, NY 10010 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD JUL PY 2002 VL 20 IS 1 BP 149 EP 156 DI 10.1140/epjd/e2002-00121-4 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 579BM UT WOS:000177155600019 ER PT J AU Chaboussant, G Basler, R Sieber, A Ochsenbein, ST Desmedt, A Lechner, RE Telling, MTF Kogerler, P Muller, A Gudel, HU AF Chaboussant, G Basler, R Sieber, A Ochsenbein, ST Desmedt, A Lechner, RE Telling, MTF Kogerler, P Muller, A Gudel, HU TI Low-energy spin excitations in the molecular magnetic cluster V-15 SO EUROPHYSICS LETTERS LA English DT Article ID ION AB We report an Inelastic Neutron Scattering (INS) study of the fully deuterated molecular compound K-6[V-15(IV) As6O42] . 9D(2)O(V-15). Due to geometrical frustration, the essential physics at low temperatures of the V 15 cluster containing 15 coupled V4+ (S = 1/2) is determined by three weakly coupled spin-(1/2) on a triangle. The INS spectra at low energy allow us to directly determine the effective exchange coupling J(0) = 0.211(2) meV within the triangle and the gap 2 = 0.035(2) meV between the two spin-(1/2) doublets of the ground state. Results are discussed in terms of deviations from trigonal symmetry and Dzyaloshinskii-Moriya (DM) interactions. C1 Univ Bern, Dept Chem & Biochem, CH-3000 Bern 9, Switzerland. Hahn Meitner Inst Berlin GmbH, BENSC, D-14109 Berlin, Germany. Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Univ Bielefeld, Fak Chem, D-33501 Bielefeld, Germany. RP Chaboussant, G (reprint author), Univ Bern, Dept Chem & Biochem, CH-3000 Bern 9, Switzerland. RI Ochsenbein, Stefan/C-2221-2012; Telling, Mark/F-3294-2014; Kogerler, Paul/H-5866-2013; OI Ochsenbein, Stefan/0000-0002-5909-8650; Kogerler, Paul/0000-0001-7831-3953; Muller, Achim/0000-0003-0117-4021 NR 24 TC 64 Z9 64 U1 0 U2 3 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 0295-5075 J9 EUROPHYS LETT JI Europhys. Lett. PD JUL PY 2002 VL 59 IS 2 BP 291 EP 297 DI 10.1209/epl/i2002-00240-x PG 7 WC Physics, Multidisciplinary SC Physics GA 574FF UT WOS:000176877200021 ER PT J AU Benioff, P AF Benioff, P TI Towards a coherent theory of physics and mathematics SO FOUNDATIONS OF PHYSICS LA English DT Review DE coherent theory; physics; mathematics ID QUANTUM-MECHANICS; SET-THEORY; INFORMATION; REPRESENTATION; ENTANGLEMENT; COMPUTERS; NUMBERS; STATE AB As an approach to a Theory of Everything a framework for developing a coherent theory of mathematics and physics together is described. The main characteristic of such a theory is discussed: the theory must be valid and and sufficiently strong, and it must maximally describe its own validity and sufficient strength. The mathematical logical definition of validity is used, and sufficient strength is seen to be a necessary and useful concept. The requirement of maximal description of its own validity and sufficient strength may be useful to reject candidate coherent theories for which the description is less than maximal. Other aspects of a coherent theory discussed include universal applicability, the relation to the anthropic principle, and possible uniqueness. It is suggested that the basic properties of the physical and mathematical universes are entwined with and emerge with a coherent theory. Support for this includes the indirect reality status of properties of very small or very large far away systems compared to moderate sized nearby systems. Discussion of the necessary physical nature of language includes physical models of language and a proof that the meaning content of expressions of any axiomatizable theory seems to be independent of the algorithmic complexity of the theory. Godel maps seem to be less useful for a coherent theory than for purely mathematical theories because all symbols and words of any language must have representations as states of physical systems already in the domain of a coherent theory. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Benioff, P (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM pbenioff@anl.gov NR 103 TC 19 Z9 19 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0015-9018 EI 1572-9516 J9 FOUND PHYS JI Found. Phys. PD JUL PY 2002 VL 32 IS 7 AR UNSP 0015-9018/02/0700-0989 DI 10.1023/A:1016561108807 PG 41 WC Physics, Multidisciplinary SC Physics GA 577DX UT WOS:000177047200001 ER PT J AU Micic, M AF Micic, M TI Dr. Miodrag Micic - Profile SO FRESENIUS ENVIRONMENTAL BULLETIN LA English DT Biographical-Item C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Micic, M (reprint author), Pacific NW Natl Lab, POB 999,M-S K8-88,335 Q Ave, Richland, WA 99352 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU INST LEBENSMITTELTECHNOLOGIE ANALYTISCHE CHEMIE PI FREISING-WEIHENSTEPHAN PA TECHNISCHE UNIVERSITAT MUNCHEN, D-85350 FREISING-WEIHENSTEPHAN, GERMANY SN 1018-4619 J9 FRESEN ENVIRON BULL JI Fresenius Environ. Bull. PD JUL PY 2002 VL 11 IS 7 BP 415 EP 415 PG 1 WC Environmental Sciences SC Environmental Sciences & Ecology GA 587AV UT WOS:000177619100018 ER PT J AU Hill, WR Dimick, SM AF Hill, WR Dimick, SM TI Effects of riparian leaf dynamics on periphyton photosynthesis and light utilisation efficiency SO FRESHWATER BIOLOGY LA English DT Article DE leaves; light; periphyton; photosynthesis; stream ID STREAM PERIPHYTON; PHYTOPLANKTON; PRODUCTIVITY; COMMUNITIES; LIMITATION; ECOSYSTEMS; NUTRIENTS; RESPONSES; PATTERNS AB 1. Streambed light regimes change dramatically when riparian trees gain leaves in spring and lose them in autumn. This study examined the effect of these changes on periphyton photosynthetic characteristics, primary production, and light utilisation efficiency in two eastern Tennessee streams. 2. Photosynthesis-irradiance responses were measured at intervals covering leaf emergence and abscission in spring and autumn. Photosynthetic efficiency (alpha(chl) ) increased with declining streambed irradiances during spring leaf emergence, but returned to pre-emergence values after autumn leaf fall. The onset of photosaturation (I (k) ) displayed the opposite pattern, decreasing during leaf emergence and increasing after leaf fall. Both alpha(chl) and I (k) were closely associated (P < 0.01) with daily integrated streambed irradiance, as were periphyton carotenoids. Internal shading by photoprotective carotenoids is hypothesised to account for lower alpha(chl) when streambed irradiances are high. 3. An in situ shading experiment confirmed that the temporal changes observed in periphyton photosynthetic characteristics and carotenoids were primarily the result of changing light levels and not other environmental factors (e.g. nutrients, temperature). 4. Daily chlorophyll-specific primary production (PP (chl) ) was calculated with P -I models and recorded streambed irradiances. In both streams, PP (chl) was the highest in early spring when trees were leafless, and then declined markedly as leaves emerged, reaching a minimum in summer. PP (chl) increased after leaf abscission, but was still lower than it was in early spring, when the sun was higher and daylength was longer. A hyperbolic tangent equation fit to PP (chl) and daily integrated irradiance (r (2) =0. 85) suggested that primary production was light saturated at 4-8 mol m(-2) d(-1) . 5. Light utilisation efficiency (Psi) increased 10-fold during leaf emergence. Photosaturation at high irradiances and photoacclimation at lower irradiances were responsible for a negative hyperbolic relationship between Psi and daily integrated irradiance. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Hill, WR (reprint author), Illinois Nat Hist Survey, Ctr Aquat Ecol, 607 E Peabody Dr, Champaign, IL 61820 USA. NR 32 TC 35 Z9 37 U1 2 U2 14 PU BLACKWELL PUBLISHING LTD PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND SN 0046-5070 J9 FRESHWATER BIOL JI Freshw. Biol. PD JUL PY 2002 VL 47 IS 7 BP 1245 EP 1256 DI 10.1046/j.1365-2427.2002.00837.x PG 12 WC Marine & Freshwater Biology SC Marine & Freshwater Biology GA 561YQ UT WOS:000176171000004 ER PT J AU Hassanein, A AF Hassanein, A TI Modeling and key issues of plasma/surface interactions in future tokamaks SO FUSION ENGINEERING AND DESIGN LA English DT Editorial Material C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Hassanein, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 0 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 JUL PY 2002 VL 60 IS 4 SI SI BP 493 EP 496 AR PII S0920-3796(02)00006-6 DI 10.1016/S0920-3796(02)00006-6 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 566VN UT WOS:000176449100001 ER PT J AU Rognlien, TD Rensink, ME AF Rognlien, TD Rensink, ME TI Edge-plasma models and characteristics for magnetic fusion energy devices SO FUSION ENGINEERING AND DESIGN LA English DT Article DE edge-plasma models; magnetic fusion energy devices; divertors; plasma facing components ID SCRAPE-OFF LAYER; ALCATOR C-MOD; DIII-D; DETACHED PLASMAS; TRANSPORT; DIVERTOR; CODE; SIMULATION; FIELD; TURBULENCE AB A description is given of the models and resulting characteristics of the plasma adjacent to material surfaces that comprise the divertor and first wall of magnetic fusion energy devices under normal operation conditions. This thin edge-plasma region begins a short distance inside of the so-called separatrix, which divides the core domain of confined magnetic field lines from the scrape-off layer domain of open fields lines that pass through material surfaces; edge transport simulations give a unified description of the plasma throughout this region. In addition to the plasma fuel components escaping from the core (i.e. deuterium and tritium ions and their neutralizing electrons), models are included for neutral gas and impurities evolved from surfaces or injected. The confining magnetic field, B, is generally large enough to provide substantial enhancement of confinement normal to B compared to along B, resulting in steep cross-field gradients of plasma parameters. Three distinct types of edge-plasmas are illustrated, depending on the plasma collisionality, which are named as follows: sheath-limited, high-recycling, and detached plasmas. Examples of each type are given, together with the corresponding plasma conditions produced at the material surface boundaries. Detailed results are presented for the edge-plasmas of the ARIES-AT and FIRE tokamak designs. The edge-plasma characteristics calculated here provide the plasma profiles needed for other codes which perform detailed modeling of plasma sheath formation, surface modification via sputtering/redeposition, and recycled neutral-particle transport as detailed by other papers in this issue. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Rognlien, TD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 49 TC 30 Z9 30 U1 1 U2 5 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 JUL PY 2002 VL 60 IS 4 SI SI BP 497 EP 514 AR PII S0920-3796(02)00005-4 DI 10.1016/S0920-3796(02)00005-4 PG 18 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 566VN UT WOS:000176449100002 ER PT J AU Brooks, JN AF Brooks, JN TI Modeling of sputtering erosion/redeposition - status and implications for fusion design SO FUSION ENGINEERING AND DESIGN LA English DT Article DE erosion/redeposition; sputtering; WBC code; lithium; tin; tritium co-deposition ID INNER BUMPER LIMITER; IMPURITY TRANSPORT; EROSION; DIVERTOR; REDEPOSITION; CARBON; DEPOSITION; SURFACES; PLASMAS; DEVICES AB This paper reviews sputtering erosion/redeposition modeling for plasma facing surfaces. Basics of the WBC Monte Carlo impurity transport code are described, An example analysis is shown for erosion of a liquid tin fusion reactor divertor. Multiyear erosion studies of candidate divertor and first wall coating materials (Li, Be, C, W, etc.) are summarized-showing generally serious erosion concerns for low-Z solid materials, and encouraging results for high-Z materials and liquid divertor surfaces. Future goals are discussed, e.g. for supercomputer modeling. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM brooks@anl.gov NR 55 TC 50 Z9 51 U1 2 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 EI 1873-7196 J9 FUSION ENG DES JI Fusion Eng. Des. PD JUL PY 2002 VL 60 IS 4 SI SI BP 515 EP 526 AR PII S0920-3796(02)00007-8 DI 10.1016/S0920-3796(02)00007-8 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 566VN UT WOS:000176449100003 ER PT J AU Hassanein, A AF Hassanein, A TI Prediction of material erosion and lifetime during major plasma instabilities in tokamak devices SO FUSION ENGINEERING AND DESIGN LA English DT Article DE erosion; disruptions; melting; splashing; vapor shielding; HEIGHTS package ID DISRUPTION; COMPONENTS AB Surface and structural damage to plasma-facing components due to the frequent loss of plasma confinement remains a serious problem for the tokamak reactor concept. The deposited plasma energy during major disruptions, edge-localized modes (ELMs), and vertical displacement events (VDEs) causes significant surface erosion, possible structural failure, and frequent plasma contamination. Surface damage consists of vaporization, spallation, and liquid splatter of metallic materials. Structural damage includes large temperature increases and high thermal stresses in structural materials and at the interfaces between surface coatings and structural members. To evaluate the lifetimes of plasma-facing materials and nearby components and to predict the various forms of damage that they experience, comprehensive models (contained in the HEIGHTs computer simulation package) are developed, integrated self-consistently, and enhanced. Splashing mechanisms such as bubble boiling and various liquid magnetohydrodynamic (MHD) instabilities and brittle destruction mechanisms of nonmelting materials can be serious erosion mechanisms and are being studied in detail. The ejected macroscopic particles (MPs) will interact with incoming plasma particles and with the vapor cloud above the surface. Therefore, the dynamic behavior of NIPs in the vapor cloud and their influence on total erosion rate is important. Results of self-consistent MHD calculations are presented in which the dynamics of both the vapor cloud and NIP interaction are coupled with incoming plasma ions and electrons from the scrape-off layer during a disruption. The design requirements and implications of plasma facing and nearby components are discussed, along with recommendations to mitigate and reduce the effects of plasma instabilities on reactor components. Published by Elsevier Science B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Hassanein, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 35 TC 48 Z9 48 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 JUL PY 2002 VL 60 IS 4 SI SI BP 527 EP 546 AR PII S0920-3796(02)00008-X DI 10.1016/S0920-3796(02)00008-X PG 20 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 566VN UT WOS:000176449100004 ER PT J AU Nygren, RE AF Nygren, RE TI Actively cooled plasma facing components for long pulse high power operation SO FUSION ENGINEERING AND DESIGN LA English DT Review DE high heat flux; divertor; armor; plasma facing component ID CRITICAL-HEAT-FLUX; DIVERTOR MOCK-UP; OUTBOARD PUMP LIMITER; FUSION-REACTOR; TORE-SUPRA; JOINING TECHNOLOGIES; ITER; FLOW; BERYLLIUM; TUBES AB This paper reviews the development of heat removal technology for plasma facing components (PFCs) and focuses on water-cooled PFCs for near term, high power applications and the use of the tungsten (W), carbon (C), and beryllium (Be) as the preferred armor materials. There are also brief summaries of developments in helium-cooled PFCs and applications of free liquid surfaces. Water-cooled PFCs with C armor have been developed for Tore Supra, ITER, LHD and W7-X. W or Be armor is of interest for ITER and other devices. W-coatings on graphite have been tried, and mockups with "W brush" armor, developed in the USA for ITER and emulated elsewhere, have withstood thermal cycling at 25 MW/m(2). Reliably joining of the armor has been a significant challenge. A shorter version of this paper was published previously in the International Toki Conference on Plasma Physics and Controlled Nuclear Fusion (ITC-10), Toki, Japan, January 18-21, 2000. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nygren, RE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 166 TC 15 Z9 16 U1 4 U2 11 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 JUL PY 2002 VL 60 IS 4 SI SI BP 547 EP 564 AR PII S0920-3796(02)00009-1 DI 10.1016/S0920-3796(02)00009-1 PG 18 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 566VN UT WOS:000176449100005 ER PT J AU Abdi, FA Mundt, M Doggett, N Bradbury, EM Chen, X AF Abdi, FA Mundt, M Doggett, N Bradbury, EM Chen, X TI Validation of DNA sequences using mass spectrometry coupled with nucleoside mass tagging SO GENOME RESEARCH LA English DT Article ID SINGLE NUCLEOTIDE POLYMORPHISMS; PRIMER EXTENSION; PCR PRODUCTS; PROTEOMICS AB We present a mass spectrometry (MS)-based nucleoside-specific mass-tagging method to validate genomic DNA sequences containing ambiguities not resolved by gel electrophoresis. Selected types of (13)C/(15)N-labeled dNTPs are used in PCR amplification of target regions followed by matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF)-MS analysis. From the mass difference between the PCR products generated with unlabeled nucleosides and products containing (13)O(15)N-labeled nucleosides, we determined the base composition of the genomic regions of interest. Two approaches were used to verify the target regions: The first approach used nucleosides partially enriched with stable isotopes to identify a single uncalled base in a gel electrophoresis-sequenced region. The second approach used mass tags with 100% heavy nucleosides to examine a GC-rich region of a polycytidine string with an unknown number of cytidines. By use of selected (13)C/(15)N-labeled dNTPs (dCTPs) in PCR amplification of the target region in tandem with MALDI-TOF-MS, we determined precisely that this string contains 11 cytidines. Both approaches show the ability Of Our MS-based mass-tagging strategy to solve critical questions of sequence identities that might be essential in determining the proper reading frames of the targeted regions. C1 Los Alamos Natl Lab, Analyt Chem Sci C ACS, Los Alamos, NM 87545 USA. Univ Calif Davis, Sch Med, Dept Biol Chem, Davis, CA 95616 USA. RP Chen, X (reprint author), Los Alamos Natl Lab, Analyt Chem Sci C ACS, MS M888, Los Alamos, NM 87545 USA. EM chen_xian@.lanl.gov NR 19 TC 9 Z9 9 U1 3 U2 3 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD JUL PY 2002 VL 12 IS 7 BP 1135 EP 1141 DI 10.1101/gr.221402 PG 7 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 569LR UT WOS:000176604300017 PM 12097352 ER PT J AU Wright, K Cygan, RT Slater, B AF Wright, K Cygan, RT Slater, B TI Impurities and nonstoichiometry in the bulk and on the (1014) surface of dolomite SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID COMPUTER-SIMULATION; CARBONATE MINERALS; CALCITE; DEFECTS; GROWTH; ORDER; ZINC AB Atomistic computer simulation methods have been used to model the nature of nonstoichiometry and impurity defects in the bulk and at the (1014) surface of dolomite (MgCa(CO(3))(2)). Calcium and Mg in the bulk and at the surface have been replaced with divalent Ni, Co, Zn, Fe, Mn, and Cd. The results of these calculations indicate that in the bulk, these impurities will prefer to substitute at the Ca site rather than the Mg site. Ca excess in dolomite is most likely incorporated as basal stacking faults; this nonstoichiometry can influence the site distribution of impurities. The calculated surface segregation energies suggest that of all the impurities studied, only Cd will show a strong preference for the (1014) surface of dolomite. Copyright (C) 2002 Elsevier Science Inc. C1 UCL, Dept Chem, London WC1E 6BT, England. UCL, Dept Geol Sci, London WC1E 6BT, England. UCL Royal Inst Great Britain, London W1S 4BS, England. Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA. RP Wright, K (reprint author), UCL, Dept Chem, Gower St, London WC1E 6BT, England. EM kate@ri.ac.uk RI Wright, Kate/A-1950-2008; OI Slater, Ben/0000-0001-9738-5848 NR 25 TC 13 Z9 13 U1 1 U2 7 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 JUL PY 2002 VL 66 IS 14 BP 2541 EP 2546 AR PII S0016-7037(02)00846-3 DI 10.1016/S0016-7037(02)00846-3 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 573YJ UT WOS:000176860200006 ER PT J AU Bierman, PR Caffee, M AF Bierman, PR Caffee, M TI Cosmogenic exposure and erosion history of Australian bedrock landforms SO GEOLOGICAL SOCIETY OF AMERICA BULLETIN LA English DT Article DE Australia; cosmogenic; elements; erosion; inselbergs; weathering ID TERM LANDSCAPE EVOLUTION; IN-SITU; DENUDATION RATES; SCALING FACTORS; BE-10; AL-26; NUCLIDES; INSITU; SURFACES; ISOTOPES AB Exceptionally high activities of in situ-produced Be-10 and Al-26 indicate that Australian bedrock surfaces are some of the most stable in the world. These cosmogenic nuclides demonstrate that Australian granite, exposed and sampled at 10 sites along a transect from the Eyre Peninsula (33degreesS) to the Kakadu area in the Northern Territory (14degreesS), has in some places eroded only decimeters over the past million years. However, nuclide activities are not saturated in any of the 61 exposed samples we analyzed, mandating that the surfaces we sampled are losing mass, albeit slowly, over time. Such mass loss indicates that inselbergs are dynamic landforms, confounding the assignment of discreet ages to inselberg surfaces. Nevertheless, the differential between slow rates of erosion measured on the very stable uppermost parts of these landforms and the more rapid rates measured below their flanks and below the adjacent grus-covered planes suggests that the forms of many large inselbergs, which stand meters to tens of meters high, must be at least Tertiary in age and possibly much older. Activities of Be-10 and Al-26 in 61 exposed Australian samples range from 5.1 +/- 0.1 X 10(6) to 5.3 +/- 0.6 x 10(5) atoms(.)g(-1) and 2.1 +/- 0.1 X 10(7) to 3.4 +/- 0.5 X 10(6) atoms(.)g(-1), respectively (normalized to sea level, at latitudes of >60degrees, using only neutron scaling). Activities of Be-10 and Al-26 in seven shielded samples (3.5-13 m below the surface) are much lower, ranging from 3.4 +/- 0.2 X 10(4) to 7.0 +/- 0.1 X 10(4) atoms(.)g(-1) and 1.6 +/- 0.1 x 10(5) to 2.8 +/- 0.2 x 10(5) atoms(.)g(-1), respectively. Al-26/Be-10 ratios of exposed samples range from 3.89 +/- 0.19 to 6.29 +/- 0.82. If 2sigma uncertainty ranges and a nominal sea-level, high-latitude Be-10-production rate of 5.17 atoms(.)g(-1.)yr(-1) are considered, ratio data for all but one surface sample are consistent with continuous surface or near-surface exposure and/or erosion. Rock surfaces farther north in Australia, where the climate is more humid, have lower nuclide activities; thus, we infer that surface stability is inversely related to mean annual precipitation. From 61 exposed samples, we calculated maximum limiting, single-nuclide, model erosion rates of 0.3 +/- 0.1 to 5.7 +/- 1.0 m/m.y. and minimum limiting, single-nuclide, model exposure ages of 105 +/- 16 to 1310 +/- 190 ka (by assuming a sea-level, high-latitude Be-10-production rate of 5.17 atoms(.)g(-1.)yr(-1)). Seven shielded samples, in which the nuclide inventory is muon-generated, also have nuclide activities consistent with similarly low rates of erosion but over even longer time scales. It appears that the Eyre Peninsula inselbergs have been and are eroding so slowly that they may well be direct descendents of Cenozoic and perhaps even Mesozoic forms. C1 Univ Vermont, Dept Geol, Burlington, VT 05405 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Bierman, PR (reprint author), Purdue Univ, Dept Phys, PRIME Lab, W Lafayette, IN 47907 USA. RI Caffee, Marc/K-7025-2015 OI Caffee, Marc/0000-0002-6846-8967 NR 59 TC 92 Z9 99 U1 0 U2 24 PU ASSOC ENGINEERING GEOLOGISTS GEOLOGICAL SOCIETY AMER PI COLLEGE STN PA TEXAS A & M UNIV, DEPT GEOLOGY & GEOPHYSICS, COLLEGE STN, TX 77843-3115 USA SN 0016-7606 J9 GEOL SOC AM BULL JI Geol. Soc. Am. Bull. PD JUL PY 2002 VL 114 IS 7 BP 787 EP 803 DI 10.1130/0016-7606(2002)114<0787:CEAEHO>2.0.CO;2 PG 17 WC Geosciences, Multidisciplinary SC Geology GA 569NA UT WOS:000176607400002 ER PT J AU Brown, PG Whitaker, RW ReVelle, DO Tagliaferri, E AF Brown, PG Whitaker, RW ReVelle, DO Tagliaferri, E TI Multi-station infrasonic observations of two large bolides: signal interpretation and implications for monitoring of atmospheric explosions SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID METEORITE; WAVES AB [1] Observations of two large bolides occurring over the Western Pacific on August 25, 2000 and April 23, 2001 are presented. These large bolides produced infrasonic signals at numerous stations in the Americas and Europe as well as being observed by US Department of Defence satellite sensors. The energy, location and physical characteristics of these bolides is inferred from available infrasound records and compared to satellite data. The infrasonic energy of the events from the observed signal frequencies is estimated to be 3 kT and 1 kT respectively, while the satellite energies are approximately 3 kT and 11 kT. The disagreement in energies for the April 23, 2001 (the third largest satellite observed bolide on record) event is significant and indicates acoustic/optical processes not typical of most bolides. The integrated infrasonic acoustic energy of the signals indicates that the percentage of acoustic energy deposited into the atmosphere is a minimum of similar to0.1-1% of the total source energy for each event. C1 Los Alamos Natl Lab, EES8, Los Alamos, NM 87545 USA. ET Space Syst, Camarillo, CA USA. RP Brown, PG (reprint author), Los Alamos Natl Lab, EES8, MS J577, Los Alamos, NM 87545 USA. NR 14 TC 21 Z9 21 U1 3 U2 3 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 JUL 1 PY 2002 VL 29 IS 13 AR 1636 DI 10.1029/2001GL013778 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 610MR UT WOS:000178964300020 ER PT J AU Seol, SJ Suh, JH Song, Y Kim, HJ Lee, KH AF Seol, SJ Suh, JH Song, Y Kim, HJ Lee, KH TI The potential of fracture imaging using high-frequency, single-hole electromagnetic data SO GEOPHYSICS LA English DT Article ID TOMOGRAPHY; INVERSION AB This paper presents an inversion scheme for highfrequency electromagnetic (EM) data from a single borehole for detection and characterization of fluid-filled fractures. Water in the fracture zone may be characterized by its high electrical permittivity and, if saline, by high electrical conductivity. High electrical conductivity results in increased attenuation of EM fields, whereas high electrical permittivity reduces the phase velocity of propagating EM fields. Taking advantage of these effects, we use high-frequency EM fields to detect and characterize fluid-filled fractures. To demonstrate the feasibility of single-hole EM imaging, we develop a three-step inversion scheme to map a fluid-filled fracture near the borehole and to evaluate its electrical conductivity and permittivity. We assume that a fluid-filled fracture can be simulated by a conductive thin sheet. To test our inversion scheme, we generated synthetic data using the thin-sheet integral equation method. A vertical magnetic dipole was used as a source, and the resultant magnetic fields were inverted using a nonlinear least-squares method. First, the background conductivity and permittivity were obtained using vertical magnetic field data from below and above the transition frequency, at which conduction and displacement current magnitudes are equal. Next, using the phase difference between EM fields at two neighboring frequencies in the wave propagation realm, both the vertical and dipping sheets were successfully mapped using NMO and migration techniques. Electrical properties of the sheet were well resolved by subsequent inversion after having fixed the location of the sheet and host electrical properties. This study shows the potential of imaging the fracture using high-frequency EM data obtained from single-hole surveys. C1 Korea Inst Geosci & Mineral Resources, Yusung Gu, Taejon 305350, South Korea. Seoul Natl Univ, Sch Civil Urban & Geosyst Engn, Kwanak Gu, Seoul 151742, South Korea. Pukyong Natl Univ, Dept Explorat Engn, Nam Gu, Pusan 608737, South Korea. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Seol, SJ (reprint author), Korea Inst Geosci & Mineral Resources, Yusung Gu, 30 Kajung Dong, Taejon 305350, South Korea. RI Seol, Soon Jee/P-7094-2015 NR 19 TC 0 Z9 0 U1 0 U2 0 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD JUL-AUG PY 2002 VL 67 IS 4 BP 1087 EP 1094 DI 10.1190/1.1500369 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 584QY UT WOS:000177480500008 ER PT J AU Weiss, CJ Newman, GA AF Weiss, CJ Newman, GA TI Electromagnetic induction in a fully 3-D anisotropic earth SO GEOPHYSICS LA English DT Article ID LINEAR-SYSTEMS; FREQUENCY AB The bulk electrical anisotropy of sedimentary formations is a macroscopic phenomenon which can result from the presence of porosity variations, laminated shaly sands, and water saturation. Accounting for its effect on induction log responses is an ongoing research problem for the well-logging community since these types of sedimentary structures have long been correlated with productive hydrocarbon reservoirs such as the Jurassic Norphlet Sandstone and Permian Rotliegendes Sandstone. Presented here is a staggered-grid finite-difference method for simulating electromagnetic (EM) induction in a fully 3-D anisotropic medium. The electrical conductivity of the formation is represented as a full 3 x 3 tensor whose elements can vary arbitrarily with position throughout the formation. To demonstrate the validity of this approach, finite-difference results are compared against analytic and quasi-analytic solutions for tractable 1-D and 3-D model geometries. As a final example, we simulate 2C-40 induction tool responses in a cross-bedded aeolian sandstone to illustrate the magnitude of the challenge faced by interpreters when electrical anisotropy is neglected. C1 Sandia Natl Labs, Geophys Technol Dept, Albuquerque, NM 87185 USA. RP Weiss, CJ (reprint author), Sandia Natl Labs, Geophys Technol Dept, POB 5800,MS-0750, Albuquerque, NM 87185 USA. RI Newman, Gregory/G-2813-2015 NR 26 TC 66 Z9 72 U1 3 U2 6 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD JUL-AUG PY 2002 VL 67 IS 4 BP 1104 EP 1114 DI 10.1190/1.1500371 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 584QY UT WOS:000177480500010 ER PT J AU Campbell, J Antoine, D Armstrong, R Arrigo, K Balch, W Barber, R Behrenfeld, M Bidigare, R Bishop, J Carr, ME Esaias, W Falkowski, P Hoepffner, N Iverson, R Kiefer, D Lohrenz, S Marra, J Morel, A Ryan, J Vedernikov, V Waters, K Yentsch, C Yoder, J AF Campbell, J Antoine, D Armstrong, R Arrigo, K Balch, W Barber, R Behrenfeld, M Bidigare, R Bishop, J Carr, ME Esaias, W Falkowski, P Hoepffner, N Iverson, R Kiefer, D Lohrenz, S Marra, J Morel, A Ryan, J Vedernikov, V Waters, K Yentsch, C Yoder, J TI Comparison of algorithms for estimating ocean primary production from surface chlorophyll, temperature, and irradiance SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Article DE primary productivity; algorithms; ocean color; remote sensing; satellite; chlorophyll ID LIGHT-PHOTOSYNTHESIS MODEL; NORTH-ATLANTIC; SATELLITE CHLOROPHYLL; PHYTOPLANKTON GROWTH; CARBON; COLOR; SEA; WATERS; ZONE; FLUORESCENCE AB [1] Results of a single-blind round-robin comparison of satellite primary productivity algorithms are presented. The goal of the round-robin exercise was to determine the accuracy of the algorithms in predicting depth-integrated primary production from information amenable to remote sensing. Twelve algorithms, developed by 10 teams, were evaluated by comparing their ability to estimate depth-integrated daily production (IP, mg C m(-2)) at 89 stations in geographically diverse provinces. Algorithms were furnished information about the surface chlorophyll concentration, temperature, photosynthetic available radiation, latitude, longitude, and day of the year. Algorithm results were then compared with IP estimates derived from (14)C uptake measurements at the same stations. Estimates from the best-performing algorithms were generally within a factor of 2 of the (14)C-derived estimates. Many algorithms had systematic biases that can possibly be eliminated by reparameterizing underlying relationships. The performance of the algorithms and degree of correlation with each other were independent of the algorithms' complexity. C1 Univ New Hampshire, Inst Study Earth Oceans & Space, Ocean Proc Anal Lab, Durham, NH 03824 USA. CNRS, INSU, Lab Oceanog Villefranche, F-06238 Villefranche Sur Mer, France. Univ Paris 06, F-06238 Villefranche Sur Mer, France. SUNY Stony Brook, Marine Sci Res Ctr, Stony Brook, NY 11794 USA. Stanford Univ, Dept Geophys, Stanford, CA 94305 USA. Bigelow Lab Ocean Sci, Boothbay Harbor, ME 04575 USA. Duke Univ, Marine Lab, Nicholas Sch Environm & Earth Sci, Beaufort, NC 28516 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Hawaii, Dept Oceanog, Honolulu, HI 96822 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Rutgers State Univ, Dept Geol, New Brunswick, NJ 08901 USA. Rutgers State Univ, Inst Marine & Coastal Sci, New Brunswick, NJ 08901 USA. Commiss European Communities, Joint Res Ctr, Inst Environm & Sustainabil, Inland & Marine Waters Unit, I-21020 Ispra, Italy. Florida State Univ, Dept Oceanog, Tallahassee, FL 32306 USA. Univ So Calif, Dept Biol Sci, Los Angeles, CA 90089 USA. Univ So Mississippi, Dept Marine Sci, Stennis Space Ctr, MS 39529 USA. Columbia Univ, Lamont Doherty Earth Observ, Palisades, NY 10964 USA. Monterey Bay Aquarium & Res Inst, Moss Landing, CA 95039 USA. Russian Acad Sci, PP Shirshov Oceanol Inst, Moscow 117997, Russia. NOAA, Coastal Serv Ctr, Charleston, SC 29405 USA. Univ Rhode Isl, Grad Sch Oceanog, Narragansett, RI 02882 USA. RP Campbell, J (reprint author), Univ New Hampshire, Inst Study Earth Oceans & Space, Ocean Proc Anal Lab, Morse Hall, Durham, NH 03824 USA. EM janet.campbell@unh.edu; david@obs-vlfr.fr; rarmstrong@notes.cc.sunysb.edu; arrigo@pangea.stanford.edu; bbalch@bigelow.org; rbarber@duke.edu; mjb@neptune.gsfc.nasa.gov; bidigare@soest.hawaii.edu; JKBishop@lbl.gov; mec@pacific.jpl.nasa.gov; wayne.esaias@gsfc.nasa.gov; falko@imcs.Rutgers.edu; nicolas.hoepffner@jrc.it; riverson@ocean.fsu.edu; kiefer@physics1.usc.edu; steven.lohrenz@usm.edu; marra@ldeo.columbia.edu; morel@obs-vlfr.fr; ryjo@mbari.org; oleg@manta.sio.rssi.ru; Kirk.Waters@noaa.gov; cyentsch@bigelow.org; jyoder@gso.uri.edu RI Armstrong, Robert/C-9086-2009; Reboreda, Rosa/A-2518-2012; Antoine, David/C-3817-2013 OI Antoine, David/0000-0002-9082-2395 NR 60 TC 100 Z9 103 U1 2 U2 34 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD JUL-AUG PY 2002 VL 16 IS 3 AR 1035 DI 10.1029/2001GB001444 PG 15 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA 611GU UT WOS:000179008700010 ER PT J AU Lutz, M Dunbar, R Caldeira, K AF Lutz, M Dunbar, R Caldeira, K TI Regional variability in the vertical flux of particulate organic carbon in the ocean interior SO GLOBAL BIOGEOCHEMICAL CYCLES LA English DT Review DE organic carbon; primary production; export; flux; remineralization; (14)C; (234)Th; mass balance; sediment traps; s ratio; p ratio; storage ID PLANKTONIC COMMUNITY STRUCTURE; BIOGENIC PARTICLE FLUXES; ANTARCTIC POLAR FRONT; SEDIMENT TRAP DATA; SOUTHERN-OCEAN; ARABIAN SEA; DEEP-OCEAN; INTERANNUAL VARIABILITY; NORTH-ATLANTIC; EQUATORIAL PACIFIC AB [1] Carbon transport within sinking biogenic matter in the ocean contributes to the uptake of CO(2) from the atmosphere. Here we assess the extent to which particulate organic carbon (POC) transport to the ocean's interior can be predicted from primary production or export flux. Relationships between POC flux and depth are generally described by a uniform power law or rational decrease with depth, scaled to new or total primary production of POC. While these parameterizations of flux are used in most quantitative biogeochemical models, they are based on data sets from a limited geographic and depth range. We examine these relationships through a review of parameters derived from (14)C uptake experiments, regional remote sensing, (234)Th studies, nitrogen balances, and sediment trap records. Ocean regions considered include sites studied by the Joint Global Ocean Flux Study, Hawaii Ocean Time-series, and Bermuda Atlantic Time-series Study programs and involve observed and radiochemically corrected flux to depth. We demonstrate regional variability in the efficiency of the biological pump to transport organic carbon from surface waters to the ocean's interior. Commonly applied flux relationships, while representative of some areas of the ocean, generally overestimate flux to depth. We estimate that the fraction of carbon transported as POC to depths greater than 1.5 km ranges between 0.10 and 8.8% (1.1% average) of primary production and between 0.28 and 30% (5.7% average) of export from the base of the euphotic zone. We develop empirical parameterizations of flux to depth using region-specific constants. Using a one-dimensional ocean model, we predict that the residence time of biogenic carbon may vary by up to 2 orders of magnitude depending on the regional efficiency of export and vertical transport. C1 Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. Lawrence Livermore Natl Lab, Climate Syst Modeling Grp, Livermore, CA 94550 USA. RP Lutz, M (reprint author), Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. EM lutz@pangea.stanford.edu; dunbar@pangea.stanford.edu; kenc@llnl.gov RI Caldeira, Ken/E-7914-2011 NR 122 TC 80 Z9 81 U1 0 U2 28 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0886-6236 J9 GLOBAL BIOGEOCHEM CY JI Glob. Biogeochem. Cycle PD JUL-AUG PY 2002 VL 16 IS 3 AR 1037 DI 10.1029/2000GB001383 PG 20 WC Environmental Sciences; Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Geology; Meteorology & Atmospheric Sciences GA 611GU UT WOS:000179008700008 ER PT J AU Scott, MJ Sands, RD Rosenberg, NJ Izaurralde, RC AF Scott, MJ Sands, RD Rosenberg, NJ Izaurralde, RC TI Future N2O from US agriculture: projecting effects of changing land use, agricultural technology, and climate on N2O emissions SO GLOBAL ENVIRONMENTAL CHANGE-HUMAN AND POLICY DIMENSIONS LA English DT Article ID NITROUS-OXIDE EMISSIONS; SOILS; METHANE; TEMPERATE; BUDGET; FLUXES; WATER; CYCLE; PH AB This paper presents results from simulated technology and market relationships governing nitrous oxide (NO) emissions from US agriculture for the purpose of conducting policy-sensitive emissions modeling of this greenhouse gas. We have modified the emissions framework of the Intergovernmental Panel on Climate Change (IPCC) Phase II guidelines developed by the IPCC and the Organization for Economic Cooperation and Development (OECD) for national emissions inventories, and have linked it to operate with Pacific Northwest National Laboratory's Agriculture and Land Use (AgLU) model. The paper shows that, in the context of moderate climate change, improvements in fertilizer application efficiency and animal management makes it possible to reduce total agricultural N emissions in 2080 to about 1995 levels, which is about 20% below the projected baseline value. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Scott, MJ (reprint author), 3180 George Washington Way, Richland, WA 99352 USA. RI Izaurralde, Roberto/E-5826-2012 NR 45 TC 15 Z9 16 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0959-3780 J9 GLOBAL ENVIRON CHANG JI Glob. Environ. Change-Human Policy Dimens. PD JUL PY 2002 VL 12 IS 2 BP 105 EP 115 AR PII S0959-3780(02)00005-5 DI 10.1016/S0959-3780(02)00005-5 PG 11 WC Environmental Sciences; Environmental Studies; Geography SC Environmental Sciences & Ecology; Geography GA 594AL UT WOS:000178026600004 ER PT J AU Saripalli, KP Serne, RJ Meyer, PD McGrail, BP AF Saripalli, KP Serne, RJ Meyer, PD McGrail, BP TI Prediction of diffusion coefficients in porous media using tortuosity factors based on interfacial areas SO GROUND WATER LA English DT Article ID POROSITY; FLUID AB Determination of aqueous phase diffusion coefficients of solutes through porous media is essential for understanding and modeling contaminant transport. Prediction of diffusion coefficients in both saturated and unsaturated zones requires knowledge of tortuosity and constrictivity factors. No methods are available for the direct measurement of these factors, which are empirical in their definition. In this paper, a new definition for the tortuosity factor is proposed, as the real to ideal interfacial area ratio. We define the tortuosity factor for saturated porous media (tau(s)) as the ratio S/S-o (specific surface of real porous medium to that of an idealized capillary bundle). For unsaturated media, tortuosity factor (tau(a)) is defined as a(aw)/a(aw,o) (ratio of the specific air-water interfacial area of real and the corresponding idealized porous medium). This tortuosity ctor is suitably measured using sorptive tracers (e.g., nitrogen adsorption method) for saturated media and interfacial tracers for unsaturated media. A model based on this new definition of tortuosity factors, termed the interfacial area ratio (IAR) model, is presented for the prediction of diffusion coefficients as a function of the degree of water saturation. Diffusion coefficients and diffusive resistances measured in a number of saturated and unsaturated granular porous media, for solutes in dilute aqueous solutions, agree well with the predictions of the IAR model. A comparison of permeability of saturated sands estimated based on tau(s) and the same based on the Kozeny-Carman equation confirm the usefulness of the tau(s) parameter as a measure of tortuosity. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Saripalli, KP (reprint author), Pacific NW Natl Lab, 1313 Sigma V Complex K6-81, Richland, WA 99352 USA. NR 36 TC 29 Z9 29 U1 3 U2 29 PU GROUND WATER PUBLISHING CO PI WESTERVILLE PA 601 DEMPSEY RD, WESTERVILLE, OH 43081 USA SN 0017-467X J9 GROUND WATER JI Ground Water PD JUL-AUG PY 2002 VL 40 IS 4 BP 346 EP 352 DI 10.1111/j.1745-6584.2002.tb02512.x PG 7 WC Geosciences, Multidisciplinary; Water Resources SC Geology; Water Resources GA 573JY UT WOS:000176827400007 PM 12113352 ER PT J AU Apostoaei, AI AF Apostoaei, AI TI Absorption of strontium from the gastrointestinal tract into plasma in healthy human adults SO HEALTH PHYSICS LA English DT Article DE dosimetry; internal; strontium; health effects; ingestion ID RADIATION AB The radioactive isotopes of strontium have always been a major concern in radiation protection. Currently, radiostrontium is of interest for evaluation of the health effects of the Chernobyl accident and for epidemiological studies in populations exposed to releases from the Mayak nuclear facilities in Russia. Ingestion is one of the most important exposure pathways involving radioactive strontium. The main sources of published data on the fraction of the ingested strontium that is transferred to plasma (f(1)) are summarized. For some of these studies, the original data had to be reanalyzed and a new iterative method to account for the elimination in feces of strontium of endogenous origin (i.e., that was absorbed to blood and has already been returned into feces) was employed. Data indicate no significant dependence of the absorbed fraction on sex or age at exposure within the adult group, but absorption of strontium is reduced if the intake of stable calcium is very high and is enhanced if the intake of calcium is very low. The probability distribution function of f(1) values is well represented by a lognormal curve with a geometric mean of 22.3% and a geometric standard deviation of 1.44 (95% confidence interval 10.9% to 45.6%, or about a factor of 2 around the geometric mean). This distribution can be considered representative for the variability of the f(1) values in a population of healthy adults. C1 Oak Ridge Inc, SENES, Oak Ridge, TN 37830 USA. RP Apostoaei, AI (reprint author), Oak Ridge Inc, SENES, 102 Donner Dr, Oak Ridge, TN 37830 USA. EM iulian@senes.com FU ODCDC CDC HHS [R32/CCR416742-02] NR 34 TC 16 Z9 16 U1 1 U2 3 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 JUL PY 2002 VL 83 IS 1 BP 56 EP 65 DI 10.1097/00004032-200207000-00006 PG 10 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 564CV UT WOS:000176298200006 PM 12075684 ER PT J AU Musolino, SV AF Musolino, SV TI Radionuclide and radiation protection data handbook SO HEALTH PHYSICS LA English DT Book Review C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Musolino, SV (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA. NR 4 TC 0 Z9 0 U1 0 U2 2 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 JUL PY 2002 VL 83 IS 1 BP 136 EP 136 DI 10.1097/00004032-200207000-00019 PG 1 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 564CV UT WOS:000176298200019 ER PT J AU Benisty, H Olivier, S Weisbuch, C Agio, M Kafesaki, M Soukoulis, CM Qiu, M Swillo, M Karlsson, A Jaskorzynska, B Talneau, A Moosburger, J Kamp, M Forchel, A Ferrini, R Houdre, R Oesterle, U AF Benisty, H Olivier, S Weisbuch, C Agio, M Kafesaki, M Soukoulis, CM Qiu, M Swillo, M Karlsson, A Jaskorzynska, B Talneau, A Moosburger, J Kamp, M Forchel, A Ferrini, R Houdre, R Oesterle, U TI Models and measurements for the transmission of submicron-width waveguide bends defined in two-dimensional photonic crystals SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE integrated optics; photonic crystals (PCs); waveguides ID DEFECT MODES; MU-M; QUANTITATIVE MEASUREMENT; METALLIC INCLUSIONS; LIGHT-PROPAGATION; BAND-STRUCTURE; LOSSES; MICROCAVITIES; CONFINEMENT; WAVELENGTHS AB One of the essential building-blocks of miniature photonic crystal (PC)-based photonic integrated circuits (PICs) is the sharp bend. Our group has focused on the 2-D photonic crystal based on a triangular lattice of holes perforating a standard heterostructure. The latter, GaAlAs-based or InP-based, is vertically a monomode waveguide. We consider essentially one or two 60 bends defined by one to five missing rows, spanning both cases of monomode and multimode channel waveguides. From intensive modeling and various experimental measurements (both on GaAs and InP), we point out the origin of the present level of bend insertion losses and discuss the merits of the many roads open for improved design. C1 Ecole Polytech, Phys Mat Condensee Lab, CNRS, UMR 7643, F-91128 Palaiseau, France. Univ Pavia, Dipartimento Fis A Volta, I-27100 Pavia, Italy. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Res Ctr Crete, Iraklion 71110, Crete, Greece. Royal Inst Technol, Dept Microelect & Informat Technol, S-16440 Kista, Sweden. CNRS, Lab Phys & Nanostruct, F-92225 Bagneux, France. Univ Wurzburg, D-97074 Wurzburg, Germany. Ecole Polytech Fed Lausanne, Inst Micro & Optoelect, CH-1015 Lausanne, Switzerland. RP Ecole Polytech, Phys Mat Condensee Lab, CNRS, UMR 7643, F-91128 Palaiseau, France. RI Agio, Mario/F-7366-2011; Jaskorzynska, Bozena/H-1522-2011; Kafesaki, Maria/E-6843-2012; Soukoulis, Costas/A-5295-2008; Kamp, Martin/G-9704-2011; Qiu, Min/B-1915-2009; OI Agio, Mario/0000-0003-3282-5982; Kafesaki, Maria/0000-0002-9524-2576; Kamp, Martin/0000-0002-7219-2297; Forchel, Alfred/0000-0002-9377-9935; Qiu, Min/0000-0002-4613-5125; Karlsson, Anders/0000-0003-4599-1840; Swillo, Marcin/0000-0003-2136-4914 NR 44 TC 49 Z9 49 U1 0 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9197 EI 1558-1713 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD JUL PY 2002 VL 38 IS 7 BP 770 EP 785 AR PII S 0018-9197(02)05721-4 DI 10.1109/JQE.2002.1017587 PG 16 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 573HK UT WOS:000176823200011 ER PT J AU Foteinopoulou, S Soukoulis, CM AF Foteinopoulou, S Soukoulis, CM TI Theoretical investigation of one-dimensional cavities in two-dimensional photonic crystals SO IEEE JOURNAL OF QUANTUM ELECTRONICS LA English DT Article DE cavity; photonic crystals; quality factor; resonance ID RESONANT-CAVITY; MICROCAVITIES; BOUNDARY; MODES; GUIDE AB We study numerically the features of the resonant peak of one-dimensional (1-D) dielectric cavities in a two-dimensional (2-D) hexagonal lattice. We use both the transfer matrix method and the finite difference time-domain (FDTD) method to calculate the transmission coefficient. We compare the two methods and discuss their results for the transmission and quality factor Q of the resonant peak. We also examine the dependence of Q on absorption and losses, the thickness of the sample, and the lateral width of the cavity. The Q-factor dependence on the width of the source in the FDTD calculations is also given. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. FORTH, Res Ctr Crete, Iraklion 71110, Crete, Greece. Univ Crete, Dept Phys, Iraklion 71110, Crete, Greece. RP Foteinopoulou, S (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RI Soukoulis, Costas/A-5295-2008 NR 25 TC 13 Z9 13 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 0018-9197 J9 IEEE J QUANTUM ELECT JI IEEE J. Quantum Electron. PD JUL PY 2002 VL 38 IS 7 BP 844 EP 849 AR PII S 0018-9197(02)05697-X DI 10.1109/JQE.2002.1017596 PG 6 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 573HK UT WOS:000176823200020 ER PT J AU Geib, KM Choquette, KD Serkland, DK Allerman, AA Hargett, TW AF Geib, KM Choquette, KD Serkland, DK Allerman, AA Hargett, TW TI Fabrication and performance of two-dimensional matrix addressable arrays of integrated vertical-cavity lasers and resonant cavity photodetectors SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE integrated VCSELs and detectors; VCSEL arrays ID SURFACE-EMITTING LASER AB Massively parallel interconnects and scannerless imaging are applications that would benefit from high-density two-dimensional arrays of lasers. Vertical-cavity surface-emitting lasers (VCSELs) are uniquely suited for these applications due to their small size and high efficiency. We have successfully fabricated 64 x 64 element arrays containing alternating rows of selectively-oxidized 850 nm VCSELs and resonant-cavity photodetectors (RCPDs) monolithically integrated on semi-insulating GaAs substrates. In order to reduce the input and output connections to the array, we employ a matrix addressable architecture, where all the VCSELs (or RCPDs) in each row are connected by a common metal trace at the base of their mesas. The columns are connected by metal traces that bridge from mesa top to mesa top, connecting every other row (i.e., only VCSELs or only RCPDs). The pitch of devices in the array is 55 mum, and the total resistance contributed by the long (up to 3.5 mm) row and column traces is below 50 degreesC. The design, fabrication, and performance of these arrays are discussed. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. RP Geib, KM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 9 TC 33 Z9 36 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 1077-260X J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD JUL-AUG PY 2002 VL 8 IS 4 BP 943 EP 947 DI 10.1109/JSTQE.2002.801691 PG 5 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 603QT UT WOS:000178571700023 ER PT J AU Fullerton, EE Hellwig, O Ikeda, Y Lengsfield, B Takano, K Kortright, JB AF Fullerton, EE Hellwig, O Ikeda, Y Lengsfield, B Takano, K Kortright, JB TI Soft X-ray characterization of perpendicular recording media SO IEEE TRANSACTIONS ON MAGNETICS LA English DT Article; Proceedings Paper CT 1st North American Perpendicular Magnetic Recording Conference (NAPMRC) CY JAN 07-09, 2002 CL CORAL GABLES, FLORIDA DE cobalt alloys; electromagnetic scattering by magnetic media; perpendicular magnetic recording; small-angle scattering; X-ray scattering ID SCATTERING; FILMS AB Various spectroscopy, imaging, and scattering techniques exploit core-level resonances accessible in the soft X-ray energies to obtain magnetic information in thin films with elemental specificity. In this paper, we describe the emerging technique of resonant soft X-ray small-angle scattering (SAS) as a probe of magnetic and chemical variations in recording media on the nanometer scale. In particular, we characterize the grain size of a CoB-Pd multilayer media and magnetic and chemical grain sizes in perpendicular CoPtCr media. C1 IBM Corp, Almaden Res Ctr, San Jose, CA 95120 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Fullerton, EE (reprint author), IBM Corp, Almaden Res Ctr, 650 Harry Rd, San Jose, CA 95120 USA. RI Fullerton, Eric/H-8445-2013 OI Fullerton, Eric/0000-0002-4725-9509 NR 12 TC 10 Z9 10 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 0018-9464 J9 IEEE T MAGN JI IEEE Trans. Magn. PD JUL PY 2002 VL 38 IS 4 BP 1693 EP 1697 AR PII S00189464(02)05674-1 DI 10.1109/TMAG.2002.1017758 PN 1 PG 5 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 575BH UT WOS:000176925600017 ER PT J AU Atkins, DL Ball, T Graves, TL Mockus, A AF Atkins, DL Ball, T Graves, TL Mockus, A TI Using version control data to evaluate the impact of software tools: A case study of the version editor SO IEEE TRANSACTIONS ON SOFTWARE ENGINEERING LA English DT Article DE software tools; version control system; effort analysis AB Software tools can improve the quality and maintainability of software, but are expensive to acquire, deploy, and maintain, especially in large organizations. We explore how to quantify the effects of a software tool once it has been deployed in a development environment. We present an effort-analysis method that derives too[ usage statistics and developer actions from a project's change history (version control system) and uses a novel effort estimation algorithm to quantify the effort savings attributable to tool usage, We apply this method to assess the impact of a software tool called VE, a version-sensitive editor used in Bell Labs. VE aids software developers in coping with the rampant use of certain preprocessor directives (similar to #if/#endif in C source files). Our analysis found that developers were approximately 40 percent more productive when using VE than when using standard text editors. C1 Univ Oregon, Eugene, OR 97402 USA. Microsoft Res, Redmond, WA 98052 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Software Technol Res Dept, Avaya Labs Res, Basking Ridge, NJ 07920 USA. RP Univ Oregon, 3110 W 17th Ave, Eugene, OR 97402 USA. EM datkins@cs.uoregon.edu; tball@microsoft.com; tgraves@lanl.gov; audris@mockus.org NR 31 TC 28 Z9 28 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 0098-5589 EI 1939-3520 J9 IEEE T SOFTWARE ENG JI IEEE Trans. Softw. Eng. PD JUL PY 2002 VL 28 IS 7 BP 625 EP 637 DI 10.1109/TSE.2002.1019478 PG 13 WC Computer Science, Software Engineering; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 570LX UT WOS:000176660700001 ER PT J AU Lindstrom, P Pascucci, V AF Lindstrom, P Pascucci, V TI Terrain simplification simplified: A general framework for view-dependent out-of-core visualization SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS LA English DT Article; Proceedings Paper CT 7th IEEE Symposium on Information Visualization (INFOVIS 2001) CY OCT 22-23, 2001 CL SAN DIEGO, CA SP IEEE Comp Soc Tech Comm Visualizat Graph DE terrain visualization; surface simplification; view-dependent refinement; continuous levels of detail; edge bisection; error metrics; geomorphing; out-of-core algorithms; external memory paging; data layouts AB This paper describes a general framework for out-of-core rendering and management of massive terrain surfaces. The two key components of this framework are: view-dependent refinement of the terrain mesh and a simple scheme for organizing the terrain data to improve coherence and reduce the number of paging events from external storage to main memory. Similar to several previously proposed methods for view-dependent refinement, we recursively subdivide a triangle mesh defined over regularly gridded data using longest-edge bisection. As part of this single, per-frame refinement pass, we perform triangle stripping, view frustum culling, and smooth blending of geometry using geomorphing. Meanwhile, our refinement framework supports a large class of error metrics, is highly competitive in terms of rendering performance, and is surprisingly simple to implement. Independent of our refinement algorithm, we also describe several data layout techniques for providing coherent access to the terrain data. By reordering the data in a manner that is more consistent with our recursive access pattern, we show that visualization of gigabyte-size data sets can be realized even on low-end, commodity PCs without the need for complicated and explicit data paging techniques. Rather, by virtue of dramatic improvements in multilevel cache coherence, we rely on the built-in paging mechanisms of the operating system to perform this task. The end result is a straightforward, simple-to-implement, pointerless indexing scheme that dramatically improves the data locality and paging performance over conventional matrix-based layouts. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, 7000 East Ave,L-560, Livermore, CA 94551 USA. EM pl@llnl.gov; pascucci@llnl.gov OI Lindstrom, Peter/0000-0003-3817-4199 NR 37 TC 114 Z9 150 U1 1 U2 10 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1077-2626 EI 1941-0506 J9 IEEE T VIS COMPUT GR JI IEEE Trans. Vis. Comput. Graph. PD JUL-SEP PY 2002 VL 8 IS 3 BP 239 EP 254 DI 10.1109/TVCG.2002.1021577 PG 16 WC Computer Science, Software Engineering SC Computer Science GA 577GA UT WOS:000177052100004 ER PT J AU Kaskel, S Klem, MT Corbett, JD AF Kaskel, S Klem, MT Corbett, JD TI Polyatomic clusters of the triel elements. Palladium-centered clusters of thallium in A(8)Tl(11)Pd, A = Cs, Rb, K SO INORGANIC CHEMISTRY LA English DT Article ID METALLIC ZINTL PHASE; COMPOUND; POLYANION; CRYSTAL; ANALOGS; K8IN11 AB Reactions of the elements within welded Ta containers at similar to600 degreesC followed by slow cooling give new A(8)Tl(11)Pd(x) products from an apparently continuous encapsulation of Pd atoms into the pentacapped trigonal prismatic anions in the isotypic rhombohedral (R (3) over barc) A(8)Tl(11) phases. All systems also produce other phases at x < 1 as well, the simplest being the cesium system in which only trigonal Pd13Tl9 is also formed. Cs8Tl11Pd0.84(1) was characterized by single-crystal means as close to the upper x limit in that system (R (3) over barc, Z = 6, a = 10.610(1) Angstrom, c = 54.683(8) A). The Pd insertion causes an expansion of the D-3 host anion, particularly about the waist, to generate a trigonal bipyramidal PdTl5 unit (d(Pd-Tl) similar to 2.6-2.8 A) centered within a somewhat larger Tl-6 trigonal prism, the remainder of the Tl-11 cluster. Strong Tl cage bonding is retained. Extended Huckel calculations show significant involvement of all Tl 6s, 6p and Pd 4d, 5s, 5p orbital sets in the central and cage bonding. The last valence electron is considered to be delocalized in a conduction band, as in A(8)Tl(11) examples, rather than occupying an antibonding e" LUMO across a gap of similar to2.4 eV. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Kaskel, Stefan/B-4200-2010; OI Kaskel, Stefan/0000-0003-4572-0303 NR 27 TC 5 Z9 5 U1 0 U2 3 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 JUL 1 PY 2002 VL 41 IS 13 BP 3457 EP 3462 DI 10.1021/ic020078b PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 567VX UT WOS:000176507200019 PM 12079464 ER PT J AU Morris, DE AF Morris, DE TI Redox energetics and kinetics of uranyl coordination complexes in aqueous solution SO INORGANIC CHEMISTRY LA English DT Article ID SULFATE-REDUCING BACTERIA; CARBONATE COMPLEXES; DIMETHYL-SULFOXIDE; URANIUM U(VI); REDUCTION; RAMAN; EXAFS; DIOXOURANIUM(VI); PHOTOOXIDATION; SPECIATION AB Detailed voltammetric results for five uranyl coordination complexes are presented and analyzed using digital simulations of the voltammetric data to extract thermodynamic (E-1/2) and heterogeneous electron-transfer kinetic (k(0) and alpha) parameters for the one-electron reduction Of U0(2)(2+) to U0(2)(+). The complexes and their corresponding electrochemical parameters are the following: [UO2(OH2)(5)](2+) (E-1/2 = -0.169 V vs Ag/AgCl, k(0) = 9.0 x 10(=3) cm/s, and alpha = 0.50); [UO2(OH)(5)](3-) (-0.927 V, 2.8 x 10(-3) cm/s, 0.46); [UO2(C2H3O2)(3)](-) (-0.396 V, similar to0.1 cm/s, similar to0.5); [UO2(CO3)(3)](4-) (-0.820 V, 2.6 x 10(-5) cm/s, 0.41); [UO2Cl4](2-) (-0.065 V, 9.2 x 10(-3) cm/s, 0.30). Differences in the E-1/2 values are attributable principally to differences in the basicity of the equatorial ligands, Differences in rate constants are considered within the context of Marcus theory of electron transfer, but no specific structural change(s) in the complexes between the two oxidation states can be uniquely identified with the underlying variability in the heterogeneous rate constants and electron-transfer coefficients. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, GT Seaborg Inst Transactinium Sci, Los Alamos, NM 87545 USA. RP Morris, DE (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. RI Morris, David/A-8577-2012 NR 48 TC 34 Z9 35 U1 1 U2 23 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 JUL 1 PY 2002 VL 41 IS 13 BP 3542 EP 3547 DI 10.1021/ic0201708 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 567VX UT WOS:000176507200031 PM 12079476 ER PT J AU Stishov, SM Sadkov, YA AF Stishov, SM Sadkov, YA TI A compact hydraulic press to use with high-pressure devices for neutron scattering studies SO INSTRUMENTS AND EXPERIMENTAL TECHNIQUES LA English DT Article AB A design of a compact hydraulic press enabling a minimal shielding of a neutron beam by massive press elements is described. C1 Russian Acad Sci, Vereshchagin Inst High Pressure Phys, Troitsk 142190, Moscow Oblast, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Stishov, SM (reprint author), Russian Acad Sci, Vereshchagin Inst High Pressure Phys, Troitsk 142190, Moscow Oblast, Russia. NR 4 TC 0 Z9 0 U1 0 U2 2 PU MAIK NAUKA/INTERPERIODICA PI NEW YORK PA C/O KLUWER ACADEMIC-PLENUM PUBLISHERS, 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0020-4412 J9 INSTRUM EXP TECH+ JI Instrum. Exp. Tech. PD JUL-AUG PY 2002 VL 45 IS 4 BP 573 EP 575 DI 10.1023/A:1019719410448 PG 3 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 591TC UT WOS:000177895500023 ER PT J AU Demirel, MC Kuprat, AP George, DC Straub, GK Rollett, AD AF Demirel, MC Kuprat, AP George, DC Straub, GK Rollett, AD TI Linking experimental characterization and computational modeling of grain growth in Al-foil SO INTERFACE SCIENCE LA English DT Article DE grain boundaries; finite element; simulation; mobility; microevolution ID DIMENSIONS; EVOLUTION AB Experimental results on grain boundary properties and grain growth obtained using the Electron Backscattered Diffraction (EBSD) technique are compared with the Finite Element simulation results of an Al-foil with a columnar grain structure. The starting microstructure and grain boundary properties are implemented as an input for the three-dimensional grain growth simulation. In the computational model, minimization of the interface energy is the driving force for the grain boundary motion. The computed evolved microstructure is compared with the final experimental microstructure, after annealing at 550degreesC. Good agreement is observed between the experimentally obtained microstructure and the simulated microstructure. The constitutive description of the grain boundary properties was based on a 1-parameter characterization of the variation in mobility with misorientation angle. C1 Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Demirel, Melik/E-4495-2010; Rollett, Anthony/A-4096-2012; Demirel, Melik/E-3775-2016 OI Rollett, Anthony/0000-0003-4445-2191; NR 18 TC 12 Z9 12 U1 0 U2 1 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 137 EP 141 DI 10.1023/A:1015867912262 PG 5 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900003 ER PT J AU Morris, JR Lu, ZY Ye, YY Ho, KM AF Morris, JR Lu, ZY Ye, YY Ho, KM TI The anisotropic free energy of the solid-liquid phase boundary in Al SO INTERFACE SCIENCE LA English DT Article DE aluminum; interfacial free energy; simulations; solidification ID SOLIDIFICATION AB We have performed large-scale molecular dynamics simulations of solid-liquid interfaces in aluminum, in order to calculate their interfacial stiffness and free energy. The anisotropy of these properties, though small, is key for determining the steady-state solutions for solidification in three dimensions. We find that the interfacial free energy, gamma(theta), can be well represented by the form gamma(theta) = gamma(0)(1 + epsilon cos 4theta, where theta measures the angle relative to the [100] interface, rotating about a [001] direction. We find values of gamma(0) = 120 +/- 6 mJ/m(2) and epsilon = 1.3 +/- 0.4%, in agreement with previous estimates and current experimental results. C1 Iowa State Univ, Ames Lab, US DOE, Dept Phys & Astron, Ames, IA 50011 USA. Wuhan Univ, Ctr Anal & Testing, Hubei, Peoples R China. RI 上官, 敏慧/E-8964-2012; Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 15 TC 18 Z9 18 U1 2 U2 10 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 143 EP 148 DI 10.1023/A:1015800629100 PG 6 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900004 ER PT J AU Ramalingam, H Asta, M van de Walle, A Hoyt, JJ AF Ramalingam, H Asta, M van de Walle, A Hoyt, JJ TI Atomic-scale simulation study of equilibrium solute adsorption at alloy solid-liquid interfaces SO INTERFACE SCIENCE LA English DT Article DE solid-liquid interface; Monte-Carlo simulations; interface adsorption ID NONEQUILIBRIUM MOLECULAR-DYNAMICS; LENNARD-JONES SYSTEMS; NI-CU ALLOYS; CRYSTAL-GROWTH; CERAMIC/METAL INTERFACES; FREE-ENERGY; MGO/CU AG; SEGREGATION; MELT; KINETICS AB Equilibrium structural properties of solid-liquid interfaces in Cu-Ni alloys are studied by Monte-Carlo simulations employing interatomic potentials based on the embedded-atom method. We describe a thermodynamic-integration approach used to derive bulk concentrations and densities for solid and liquid phases in two-phase thermodynamic equilibrium. These results are used as a basis for constructing three-dimensional supercell geometries employed in Monte-Carlo-simulation studies of solid-liquid interface properties for {100} and {111} crystallographic orientations. At a temperature of 1750 K (four percent below the calculated melting point of pure Ni) equilibrium density and concentration profiles have been derived, allowing a calculation of the relative Gibbsian adsorption, Gamma(Cu)(( Ni)), of Cu (solute) relative to Ni (solvent) at solid-liquid interfaces in Ni-rich alloys. We derive absorption values of Gamma(Cu)(( Ni))= -0.05+/- 0.20 and -0.23 +/- 0.50 atoms/nm(2) for {100} and {111} interfaces, respectively. These results are discussed in the context of available experimental measurements and continuum-theory results for adsorption at heterophase interfaces. C1 Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60081 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RI van de Walle, Axel/L-5676-2013 OI van de Walle, Axel/0000-0002-3415-1494 NR 40 TC 39 Z9 39 U1 4 U2 9 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 149 EP 158 DI 10.1023/A:1015889313170 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900005 ER PT J AU Radhakrishnan, B Zacharia, T AF Radhakrishnan, B Zacharia, T TI The effect of lattice temperature on abnormal subgrain growth simulations using a Monte Carlo technique SO INTERFACE SCIENCE LA English DT Article DE variable lattice temperature; thermal noise; misorientation; facets; faceting; relative mobility; relative energy ID GRAIN-GROWTH; COMPUTER-SIMULATION; FIELD MODEL; DIMENSIONS; EVOLUTION; KINETICS; DYNAMICS AB Abnormal subgrain growth occurs in single-phase materials when the structure contains special subgrains that have growth advantage compared to others in their vicinity by virtue of having unique boundary properties such as low energy and high mobility. Monte Carlo simulations of abnormal subgrain growth were carried out for a wide range of such abnormal growth conditions. For a given abnormal growth condition, the simulation results were found to be sensitive to the choice of the lattice temperature used. When the lattice temperature was too low, the growth kinetics and the shape of the abnormal grain was influenced by the lattice geometry. At higher lattice temperatures, the lattice effects were reduced but the simulation results were scattered around the theoretical prediction of the maximum stable size ratio of the abnormal subgrain to the matrix subgrain. Simulations in which the local lattice temperature was scaled according to the relative boundary energy appeared to reduce the scatter associated with constant lattice temperature simulations, but a discrepancy between theory and simulation was noticed, with the simulations predicting consistently lower values than theoretical. Further simulations with larger system sizes are required in order to better understand the mesoscale issues associated with abnormal subgrain growth. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. OI Zacharia, Thomas/0000-0001-6463-5425 NR 18 TC 5 Z9 6 U1 0 U2 4 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 171 EP 180 DI 10.1023/A:1015876214079 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900007 ER PT J AU Hoyt, JJ Asta, M Karma, A AF Hoyt, JJ Asta, M Karma, A TI Atomistic simulation methods for computing the kinetic coefficient in solid-liquid systems SO INTERFACE SCIENCE LA English DT Article DE solid-liquid interfaces; solidification; crystal growth; kinetic coefficient ID PHASE-FIELD MODEL; NONEQUILIBRIUM MOLECULAR-DYNAMICS; EMBEDDED-ATOM METHOD; PATTERN SELECTION; DENDRITIC GROWTH; CRYSTAL-GROWTH; CRYSTALLIZATION; SOLIDIFICATION; REFINEMENT; METALS AB The kinetic coefficient, mu, is the constant of proportionality between the velocity of a solid-liquid interface and the interface undercooling. The value of mu and its anisotropy are critical parameters in phase field modeling of dendritic solidification. In this paper we review several different molecular dynamics simulation methods which have been proposed to compute the kinetic coefficient. Techniques based on forced velocity simulations, free solidification simulations and fluctuation analyses are discussed and compared. In addition, a model of crystalline growth kinetics due to Broughton, Gilmer and Jackson will be compared with available atomistic simulation data. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Northeastern Univ, Dept Phys, Boston, MA 02115 USA. NR 30 TC 42 Z9 43 U1 4 U2 29 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 181 EP 189 DI 10.1023/A:1015828330917 PG 9 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900008 ER PT J AU Upmanyu, M Hassold, GN Kazaryan, A Holm, EA Wang, Y Patton, B Srolovitz, DJ AF Upmanyu, M Hassold, GN Kazaryan, A Holm, EA Wang, Y Patton, B Srolovitz, DJ TI Boundary mobility and energy anisotropy effects on microstructural evolution during grain growth SO INTERFACE SCIENCE LA English DT Article DE grain growth; anisotropic grain boundary mobility; anisotropic grain boundary energy; Monte Carlo simulation; molecular dynamics simulation; phase field model ID MONTE-CARLO SIMULATION; COMPUTER-SIMULATION; FCC METALS; ORIENTATION; DEPENDENCE; MIGRATION; KINETICS; MODEL AB We have performed mesoscopic simulations of microstructural evolution during curvature driven grain growth in two-dimensions using anisotropic grain boundary properties obtained from atomistic simulations. Molecular dynamics simulations were employed to determine the energies and mobilities of grain boundaries as a function of boundary misorientation. The mesoscopic simulations were performed both with the Monte Carlo Potts model and the phase field model. The Monte Carlo Potts model and phase field model simulation predictions are in excellent agreement. While the atomistic simulations demonstrate strong anisotropies in both the boundary energy and mobility, both types of microstructural evolution simulations demonstrate that anisotropy in boundary mobility plays little role in the stochastic evolution of the microstructure (other than perhaps setting the overall rate of the evolution. On the other hand, anisotropy in the grain boundary energy strongly modifies both the topology of the polycrystalline microstructure the kinetic law that describes the temporal evolution of the mean grain size. The underlying reasons behind the strongly differing effects of the two types of anisotropy considered here can be understood based largely on geometric and topological arguments. C1 Colorado Sch Mines, Div Engn, Mat Sci Program, Golden, CO 80401 USA. Princeton Univ, Princeton Mat Inst, Princeton, NJ 08540 USA. Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08540 USA. Kettering Univ, Dept Sci & Math, Flint, MI USA. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH USA. Sandia Natl Labs, Mat & Proc Modeling Dept, Albuquerque, NM 87185 USA. RI Wang, Yunzhi/B-2557-2010; Holm, Elizabeth/S-2612-2016 OI Holm, Elizabeth/0000-0003-3064-5769 NR 66 TC 81 Z9 81 U1 5 U2 28 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 201 EP 216 DI 10.1023/A:1015832431826 PG 16 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900010 ER PT J AU Napolitano, RE Liu, S Trivedi, R AF Napolitano, RE Liu, S Trivedi, R TI Experimental measurement of anisotropy in crystal-melt interfacial energy SO INTERFACE SCIENCE LA English DT Article DE interfacial energy; equilibrium shape; anisotropy; Al-Cu; Al-Si ID LIQUID SURFACE ENERGIES; PIVALIC ACID; AL-CU; GROWTH; ALUMINUM; SILICON; TENSION; ALLOYS; SOLIDIFICATION; MORPHOLOGY AB Experimental methods for the determination of anisotropy in crystal-melt interfacial energy are explored. Equilibrium shape measurements of liquid droplets entrained in single-phase solid are utilized and results are reported for an Al-Cu and an Al-Si alloy. The grain boundary groove method for determination of interfacial energy anisotropy is also examined. A complete coupled-groove solution is presented for a general tilt-boundary groove. The effects of various physical parameters, including interface energy anisotropy, on the groove shape are discussed. C1 Iowa State Univ, US DOE, Ames Lab, Met Ceram Sci Program, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. Iowa State Univ, Inst Phys Res & Technol, Ames, IA 50011 USA. NR 68 TC 52 Z9 52 U1 4 U2 27 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0927-7056 J9 INTERFACE SCI JI Interface Sci. PD JUL PY 2002 VL 10 IS 2-3 BP 217 EP 232 DI 10.1023/A:1015884415896 PG 16 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 562YQ UT WOS:000176226900011 ER PT J AU Grabowski, TJ Smyser, C Frank, RJ Eaton, B Bolinger, L AF Grabowski, TJ Smyser, C Frank, RJ Eaton, B Bolinger, L TI Psychophysiology and fMRI integrated in a time-aware processing environment SO INTERNATIONAL JOURNAL OF PSYCHOPHYSIOLOGY LA English DT Meeting Abstract C1 Univ Iowa, Coll Med, Dept Neurol, Iowa City, IA 52242 USA. Univ Iowa, Coll Med, Dept Radiol, Iowa City, IA 52242 USA. Lawrence Livermore Natl Lab, Iowa City, IA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8760 J9 INT J PSYCHOPHYSIOL JI Int. J. Psychophysiol. PD JUL PY 2002 VL 45 IS 1-2 BP 54 EP 54 PG 1 WC Psychology, Biological; Neurosciences; Physiology; Psychology; Psychology, Experimental SC Psychology; Neurosciences & Neurology; Physiology GA 578AP UT WOS:000177095500133 ER PT J AU Wang, XB Yang, X Wang, LS AF Wang, XB Yang, X Wang, LS TI Probing solution-phase species and chemistry in the gas phase SO INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY LA English DT Review ID MULTIPLY-CHARGED ANIONS; PHOTODETACHMENT PHOTOELECTRON-SPECTROSCOPY; INTRAMOLECULAR COULOMB REPULSION; ELECTRON-TRANSFER REACTIONS; INITIO MOLECULAR-DYNAMICS; X = CL; WATER CLUSTERS; AB-INITIO; MASS-SPECTROMETRY; AQUEOUS-SOLUTIONS AB Electrospray ionization not only is a powerful soft ionization technique for biological mass spectrometry but also provides an unique interface between the solution phase and the gas phase. An experimental apparatus combining electrospray with photodetachment photoelectron spectroscopy has been developed for the investigation of multiply charged anions and solution-phase species in the gas phase. In this article, the principles of this technique and our recent progress are presented and discussed. Photoelectron spectroscopy is ideal to probe free multiply charged anions and has allowed the repulsive Coulomb barrier existing universally in multiply charged anions to be directly observed and investigated. Solvation effects, solvent and counter-ion stabilization of a common inorganic doubly charged anion, SO42-, have been extensively investigated. The minimum number of water molecules needed to stabilize SO42- and its solvation behaviour have been addressed. Large hydrated SO42- clusters are found to exhibit properties of bulk aqueous solutions. We also show that the electronic structures of many inorganic metal complexes, in particular redox species, can be investigated in the gas phase using electrospray and photoelectron spectroscopy. C1 Washington State Univ, Dept Phys, Richland, WA 99352 USA. Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Wang, XB (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99352 USA. NR 89 TC 57 Z9 57 U1 5 U2 30 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0144-235X J9 INT REV PHYS CHEM JI Int. Rev. Phys. Chem. PD JUL-SEP PY 2002 VL 21 IS 3 BP 473 EP 498 DI 10.1080/01442350210157348 PG 26 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 608MT UT WOS:000178850600005 ER PT J AU Taatjes, CA AF Taatjes, CA TI Time-resolved infrared absorption measurements of product formation in Cl atom reactions with alkenes and alkynes (vol 18, pg 419, 1999) SO INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY LA English DT Correction C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA. NR 1 TC 0 Z9 0 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0144-235X J9 INT REV PHYS CHEM JI Int. Rev. Phys. Chem. PD JUL-SEP PY 2002 VL 21 IS 3 BP 525 EP 525 DI 10.1080/014423502100004148 PG 1 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 608MT UT WOS:000178850600007 ER PT J AU Goudeau, P Villain, P Tamura, N Celestre, RS Padmore, H AF Goudeau, P Villain, P Tamura, N Celestre, RS Padmore, H TI Residual stress mapping by micro X-ray diffraction: Application to the study of thin film buckling SO JOURNAL DE PHYSIQUE IV LA English DT Article; Proceedings Paper CT X-Ray and Matter Conference (RX 2001) CY DEC 04-07, 2001 CL STRASBOURG, FRANCE ID ATOMIC-FORCE MICROSCOPY AB Thin films deposited by Physical Vapour Deposition techniques on substrates generally exhibit large residual stresses which may be responsible of spontaneous detachment of the film from its substrate and in the case of compressive stresses, thin film buckling. Although these effects are undesirable for future applications, one may take benefit of it for thin film mechanical properties investigation. Since the 80's, a lot of theoretical works have been done to develop mechanical models with the aim to get a better understanding of driven mechanisms giving rise to this phenomenon and thus to propose solutions to avoid such problems. Nevertheless, only a few experimental works have been done on this subject to support these theoretical results and nothing concerning local stress/strain measurement mainly because of the small dimension of the buckling (few tenth Am). This paper deals with the application of micro beam x-ray diffraction available on synchrotron radiation sources for stress/strain mapping analysis of gold thin film buckling. C1 Univ Poitiers, UMR 6630 CNRS, Met Phys Lab, F-86962 Futuroscope, France. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94270 USA. RP Goudeau, P (reprint author), Univ Poitiers, UMR 6630 CNRS, Met Phys Lab, SP2M1,Teleport 2,Blvd Marie & Curie,BP 30179, F-86962 Futuroscope, France. RI Valat-Villain, Pascale/E-9211-2013 NR 14 TC 2 Z9 2 U1 1 U2 5 PU E D P SCIENCES PI LES ULIS CEDEXA PA 7, AVE DU HOGGAR, PARC D ACTIVITES COURTABOEUF, BP 112, F-91944 LES ULIS CEDEXA, FRANCE SN 1155-4339 J9 J PHYS IV JI J. Phys. IV PD JUL PY 2002 VL 12 IS PR6 BP 409 EP 416 DI 10.1051/jp4:20020249 PG 8 WC Physics, Multidisciplinary SC Physics GA 609RP UT WOS:000178918600044 ER PT J AU Gerberich, WW Tymiak, NI Grunlan, JC Horstemeyer, MF Baskes, MI AF Gerberich, WW Tymiak, NI Grunlan, JC Horstemeyer, MF Baskes, MI TI Interpretations of indentation size effects SO JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME LA English DT Article ID STRAIN GRADIENT PLASTICITY; SINGLE-CRYSTALS; SURFACE STRESS; DISLOCATION NUCLEATION; ELASTIC-MODULUS; MICRO-HARDNESS; YIELD-POINT; DEFORMATION; NANOINDENTATION; SCALE AB For very shallow indentations in W, Al, Au, and Fe-3wt%Si single crystals, hardness decreased with increasing depth irrespective of increasing or decreasing strain gradients. As such, strain gradient theory appears insufficient to explain the indentation size effect (ISE) at depths less than several hundred nanometers. Present research links the ISE to a ratio between the energy of newly created surface and plastic strain energy dissipation. Also, the contact surface to plastic volume ratio was nearly constant for a range of shallow depths. Based on the above, an analytical model of hardness versus depth provides a satisfactory fit to the experimental data and correlates well with embedded atom simulations. C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Sandia Natl Labs, Ctr Mat Sci & Engn, Livermore, CA 94551 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gerberich, WW (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, 421 Washington Ave SE, Minneapolis, MN 55455 USA. RI Tymiak Carlson, Natalia/A-7689-2009; Grunlan, Jaime/K-3242-2016; OI Grunlan, Jaime/0000-0001-5241-9741; Horstemeyer, Mark/0000-0003-4230-0063 NR 49 TC 161 Z9 165 U1 2 U2 40 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0021-8936 J9 J APPL MECH-T ASME JI J. Appl. Mech.-Trans. ASME PD JUL PY 2002 VL 69 IS 4 SI SI BP 433 EP 442 DI 10.1115/1.1469004 PG 10 WC Mechanics SC Mechanics GA 570QK UT WOS:000176668800006 ER PT J AU Hsueh, CH AF Hsueh, CH TI Modeling of thermal stresses in passivated interconnects SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FINITE-ELEMENT CALCULATIONS; METAL LINES; RELAXATION; FILMS AB Analytical modeling is performed to obtain closed-form solutions for the thermal stresses in passivated interconnects in microelectronic devices. A periodic unit cell of a planar passivated interconnect on a substrate is considered. When the aspect ratio of the cross section of the interconnect line has a limiting value, zero or infinity, closed-form solutions for the volume-averaged thermal stresses in the interconnect can be readily derived. These analytical solutions agree with existing finite element calculations. Using the modified shear lag model, the general closed-formed solutions for the thermal stress distributions in the cross section of the unit cell normal to the interconnect line are derived. Specific results are calculated for the system of Al interconnect lines on Si substrate with SiO2 passivation. The effects of the geometrical parameters in the system (e.g., interconnect aspect ratio, distance between interconnect lines, and passivation thickness) on the thermal stress distributions are examined. (C) 2002 American Institute of Physics. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hsueh, CH (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Hsueh, Chun-Hway/G-1345-2011 NR 18 TC 9 Z9 9 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 1 PY 2002 VL 92 IS 1 BP 144 EP 153 DI 10.1063/1.1483382 PG 10 WC Physics, Applied SC Physics GA 564LA UT WOS:000176314800023 ER PT J AU Young, DL Moutinho, H Yan, Y Coutts, TJ AF Young, DL Moutinho, H Yan, Y Coutts, TJ TI Growth and characterization of radio frequency magnetron sputter-deposited zinc stannate, Zn2SnO4, thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSPARENT CONDUCTING OXIDES; STATES EFFECTIVE-MASS; SENSING CHARACTERISTICS; SCATTERING PARAMETER; TRANSPORT PHENOMENA; N-TYPE; ZNO AB Single-phase, spinel zinc stannate (Zn2SnO4) thin films were grown by rf magnetron sputtering onto glass substrates. Uniaxially oriented films with resistivities of 10(-2)-10(-3) Omega cm, mobilities of 16-26 cm2/V s, and n-type carrier concentrations in the low 10(19) cm(-3) range were achieved. X-ray diffraction peak intensity studies established the films to be in the inverse spinel configuration. Sn-119 Mossbauer studies identified two octahedral Sn sites, each with a unique quadrupole splitting, but with a common isomer shift consistent with Sn+4. A pronounced Burstein-Moss shift moved the optical band gap from 3.35 to as high as 3.89 eV. Density-of-states effective mass, relaxation time, mobility, Fermi energy level, and a scattering parameter were calculated from resistivity, Hall, Seebeck, and Nernst coefficient transport data. Effective-mass values increased with carrier concentration from 0.16 to 0.26 m(e) as the Fermi energy increased from 0.2 to 0.9 eV above the conduction-band minimum. A bottom-of-the-band effective-mass value of 0.15 m(e) is in good agreement with local density approximation calculations. Temperature-dependent transport measurements and calculated scattering parameters correlated well with ionized impurity scattering with screening by free electrons for highly degenerate films. (C) 2002 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Young, DL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 41 TC 134 Z9 141 U1 4 U2 49 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 JUL 1 PY 2002 VL 92 IS 1 BP 310 EP 319 DI 10.1063/1.1483104 PG 10 WC Physics, Applied SC Physics GA 564LA UT WOS:000176314800050 ER PT J AU Serquis, A Liao, XZ Zhu, YT Coulter, JY Huang, JY Willis, JO Peterson, DE Mueller, FM Moreno, NO Thompson, JD Nesterenko, VF Indrakanti, SS AF Serquis, A Liao, XZ Zhu, YT Coulter, JY Huang, JY Willis, JO Peterson, DE Mueller, FM Moreno, NO Thompson, JD Nesterenko, VF Indrakanti, SS TI Influence of microstructures and crystalline defects on the superconductivity of MgB2 SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNESIUM DIBORIDE; MAGNETIZATION AB This work studies the influence of microstructures and crystalline defects on the superconductivity of MgB2, with the objective to improve its flux pinning. A MgB2 sample pellet that was hot isostatic pressed (HIPed) was found to have significantly increased critical current density (J(c)) at higher fields than its un-HIPed counterpart. The HIPed sample had a J(c) of 10 000 A/cm(2) in 50 000 Oe (5 T) at 5 K. This was 20 times higher than that of the un-HIPed sample, and the same as the best J(c) reported by other research groups. Microstructures observed in scanning and transmission electron microscopy indicate that the HIP process eliminated porosity present in the MgB2 pellet resulting in an improved intergrain connectivity. Such improvement in intergrain connectivity was believed to prevent the steep J(c) drop with magnetic field H that occurred in the un-HIPed MgB2 pellet at H>45 000 Oe(4.5 T) and T=5 K. The HIP process was also found to disperse the MgO that existed at the grain boundaries of the un-HIPed MgB2 pellet and to generate more dislocations in the pellets. These dispersed MgO particles and dislocations improved flux pinning also at H<45 000 Oe. The HIPing process was also found to lower the resistivity at room temperature. (C) 2002 American Institute of Physics. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. RP Los Alamos Natl Lab, Superconduct Technol Ctr, MS K763, Los Alamos, NM 87545 USA. EM fmm@lanl.gov RI Zhu, Yuntian/B-3021-2008; Liao, Xiaozhou/B-3168-2009; Huang, Jianyu/C-5183-2008; Moreno, Nelson/H-1708-2012; Serquis, Adriana/L-6554-2015 OI Zhu, Yuntian/0000-0002-5961-7422; Liao, Xiaozhou/0000-0001-8565-1758; Moreno, Nelson/0000-0002-1672-4340; Serquis, Adriana/0000-0003-1499-4782 NR 21 TC 73 Z9 74 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 1 PY 2002 VL 92 IS 1 BP 351 EP 356 DI 10.1063/1.1479470 PG 6 WC Physics, Applied SC Physics GA 564LA UT WOS:000176314800055 ER PT J AU Croft, M Zakharchenko, I Zhong, Z Gurlak, Y Hastings, J Hu, J Holtz, R DaSilva, M Tsakalakos, T AF Croft, M Zakharchenko, I Zhong, Z Gurlak, Y Hastings, J Hu, J Holtz, R DaSilva, M Tsakalakos, T TI Strain field and scattered intensity profiling with energy dispersive x-ray scattering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SYNCHROTRON-RADIATION; RESIDUAL-STRESSES; DIFFRACTION; TOMOGRAPHY; GEOMETRY; BEAM AB Two powerful synchrotron x-ray scattering techniques for residual strain depth-profiling and tomography-like scatter-intensity profiling of materials are presented. The techniques utilize energy dispersive x-ray scattering, from a fixed microvolume, with microscanning of the specimen being used to profile its interior. The tomography-like profiles exploit scattering-cross-section variations, and can be contrast enhanced by separately monitoring scattering from different crystal structures. The strain profiling technique is shown to finely chronicle the internal strain variation over several mm of steel. Detailed strain profiling for a cantilever spring demonstrates the interplay of residual and external stresses in elastic/plastic deformation. Since surface compression, by shot peening, is a classic method to fortify against fatigue failure, the strain profile for a shot-peened, surface-toughened material is determined and discussed in terms of a simple elastic-plastic stress/strain model. Finally the lattice strains in a WC/Co coated steel composite material are discussed. (C) 2002 American Institute of Physics. C1 Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Rutgers State Univ, Dept Ceram, Piscataway, NJ 08854 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. USN, Res Lab, Washington, DC 20375 USA. RP Croft, M (reprint author), Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. NR 26 TC 29 Z9 29 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 1 PY 2002 VL 92 IS 1 BP 578 EP 586 DI 10.1063/1.1483373 PG 9 WC Physics, Applied SC Physics GA 564LA UT WOS:000176314800091 ER PT J AU Koksharova, OA Wolk, CP AF Koksharova, OA Wolk, CP TI Novel DNA-binding proteins in the cyanobacterium Anabaena sp strain PCC 7120 SO JOURNAL OF BACTERIOLOGY LA English DT Article ID HETEROCYST DEVELOPMENT; GEL-ELECTROPHORESIS; RNA-POLYMERASE; LEUCINE ZIPPER; CELL-ENVELOPE; SIGMA FACTOR; GENE; PCC-7120; EXPRESSION; SEQUENCE AB As an approach towards elucidation of the biochemical regulation of the progression of heterocyst differentiation in Anabaena sp. strain PCC 7120, we have identified proteins that bind to a 150-bp sequence upstream from hepC, a gene that plays a role in the synthesis of heterocyst envelope polysaccharide. Such proteins were purified in four steps from extracts of vegetative cells of Anabaena sp. Two of these proteins (Abp1 and Abp2) are encoded by neighboring genes in the Anabaena sp. chromosome. The genes that encode the third (Abp3) and fourth (Abp4) proteins are situated at two other loci in that chromosome. Insertional mutagenesis of abp2 and abp3 blocked expression of hepC and hepA and prevented heterocyst maturation and aerobic fixation of N-2. C1 Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48823 USA. NI Vavilov Gen Genet Res Inst, Moscow 119991, Russia. RP Wolk, CP (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48823 USA. RI Koksharova, Olga/F-7770-2012 OI Koksharova, Olga/0000-0003-2913-9017 NR 50 TC 21 Z9 22 U1 1 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD JUL PY 2002 VL 184 IS 14 BP 3931 EP 3940 DI 10.1128/JB.184.14.3931-3940.2002 PG 10 WC Microbiology SC Microbiology GA 569CH UT WOS:000176582200021 PM 12081965 ER PT J AU Habelitz, S Marshall, GW Balooch, M Marshall, SJ AF Habelitz, S Marshall, GW Balooch, M Marshall, SJ TI Nanoindentation and storage of teeth SO JOURNAL OF BIOMECHANICS LA English DT Article DE teeth; nanoindentation; atomic force microscopy; mineral dissolution; storage ID MECHANICAL-PROPERTIES; ELASTIC-MODULUS; YOUNG MODULUS; HUMAN ENAMEL; DENTIN; HARDNESS; BONE; INDENTATION; RADIATION; JUNCTION AB This study determined changes in nanomechanical properties of dentin and enamel during storage in deionized water, calcium chloride buffered saline solution and Hank's balanced salts solution (HBSS). Atomic force microscopy based nanoindentation showed that storing teeth in deionized water or CaCl2-solution resulted in a large decrease in elastic modulus and hardness. At I day a decrease in the mechanical properties values of up to 20% and 30% was observed for enamel and dentin, respectively. After 1 week, mechanical properties dropped below 50% of their starting Values, which is attributed to a demineralization process during storage. In contrast, storing teeth in HBSS did not significantly alter the mechanical properties for a time interval of 2 weeks. The use of HBSS for storage of samples from teeth is recommended. (C) 2002 Elsevier Science Ltd. All rights reserved. C1 Univ Calif San Francisco, Dept Prevent & Restorat Dent Sci, San Francisco, CA 94143 USA. Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94550 USA. RP Habelitz, S (reprint author), Univ Calif San Francisco, Dept Prevent & Restorat Dent Sci, 707 Parnassus Ave D-2250, San Francisco, CA 94143 USA. FU NIDCR NIH HHS [DE13029, P01DE09859] NR 18 TC 169 Z9 181 U1 1 U2 23 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0021-9290 J9 J BIOMECH JI J. Biomech. PD JUL PY 2002 VL 35 IS 7 BP 995 EP 998 AR PII S0021-9290(02)00039-8 DI 10.1016/S0021-9290(02)00039-8 PG 4 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA 569NR UT WOS:000176608900016 PM 12052404 ER PT J AU Sankaran, V Walsh, JT Maitland, DJ AF Sankaran, V Walsh, JT Maitland, DJ TI Comparative study of polarized light propagation in biologic tissues SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE degree of polarization; multiple scattering; Stokes vectors ID OPTICAL-PROPERTIES; SCATTERING; CELLS; TRANSMISSION AB We report the depolarization of light scattered by a variety of birefringent and nonbirefringent tissues. We used Stokes polarimetry to investigate how scatterer structures in each tissue contribute to the depolarization of linearly versus circularly polarized light propagating through that tissue. Experiments were performed on porcine blood, fat, tendon, artery, and myocardium. The results indicate that the two incident polarization states are depolarized differently depending on the structure of the sample. As seen in sphere suspensions, for tissues containing dilute Mie scatterers, circularly polarized light is maintained preferentially over linearly polarized light. For more dense tissues, however, the reverse is true. The results illustrate situations where polarized light will provide an improvement over unpolarized light imaging, information that is crucial to optimizing existing polarimetric imaging techniques. (C) 2002 Society of Photo-Optical Instrumentation Engineers. C1 Univ Calif Irvine, Beckman Laser Inst & Med Clin, Irvine, CA 92612 USA. Lawrence Livermore Natl Lab, Med Technol Program, Livermore, CA 94551 USA. Northwestern Univ, Biomed Engn Dept, Evanston, IL 60208 USA. Lawrence Livermore Natl Lab, Med Technol Program, Livermore, CA 94551 USA. RP Maitland, DJ (reprint author), Univ Calif Irvine, Beckman Laser Inst & Med Clin, Irvine, CA 92612 USA. RI Walsh, Joseph/B-7636-2009 FU NCI NIH HHS [1 R01 CA85991-01] NR 27 TC 107 Z9 112 U1 0 U2 16 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD JUL PY 2002 VL 7 IS 3 BP 300 EP 306 DI 10.1117/1.1483318 PG 7 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 584RR UT WOS:000177482700004 PM 12175278 ER PT J AU Mourant, JR Johnson, TM Carpenter, S Guerra, A Aida, T Freyer, JP AF Mourant, JR Johnson, TM Carpenter, S Guerra, A Aida, T Freyer, JP TI Polarized angular dependent spectroscopy of epithelial cells and epithelial cell nuclei to determine the size scale of scattering structures SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article ID LIGHT-SCATTERING; BIOLOGICAL TISSUE; BACKSCATTERING; MEDIA; MODEL AB An understanding of the relationship between tissue structures and light scattering from tissue will help facilitate the development and acceptance of noninvasive optical diagnostics including elastic scattering spectroscopy, diffuse reflectance, and optical coherence tomography. For example, a quantitative model of the structures that scatter light in epithelial cells would allow determination of what structures control the characteristics of in vivo light transport measurements and subsequently could provide a detailed relationship between cellular structures and optical measurements. We have determined the size distribution of refractive index structure variations in epithelial cells as well as in nuclei isolated from epithelial cells from measurements of the angular dependence of polarized light scattering. The quantitative size distributions we obtained for both whole cells and isolated nuclei include particles with effective radii of 2 Am to 10 nm or less and contain orders of magnitude more small particles than large particles. These results demonstrate that not only are biological cells very heterogeneous, but so are the nuclei within them. Light scattering is likely sensitive to structures smaller than those commonly investigated by standard pathology methods. (C) 2002 Society of Photo-Optical Instrumentation Engineers. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Mourant, JR (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. FU NCI NIH HHS [CA71898, CA51150, CA89255, R01 CA071898] NR 31 TC 133 Z9 134 U1 0 U2 4 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD JUL PY 2002 VL 7 IS 3 BP 378 EP 387 DI 10.1117/1.1483317 PG 10 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 584RR UT WOS:000177482700013 PM 12175287 ER PT J AU Holman, HYN Bjornstad, KA McNamara, MP Martin, MC McKinney, WR Blakely, EA AF Holman, HYN Bjornstad, KA McNamara, MP Martin, MC McKinney, WR Blakely, EA TI Synchrotron infrared spectromicroscopy as a novel bioanalytical microprobe for individual living cells: cytotoxicity considerations SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE synchrotron; infrared; spectromicroscopy; FTIR; cell viability; cytotoxicity ID RADIATION; MICROSPECTROSCOPY; SPECTROSCOPY; INACTIVATION; PERFORMANCE; MICROSCOPY; TISSUE; CYCLE; DEATH; FTIR AB Synchrotron radiation-based Fourier transform infrared spectromicroscopy is a newly emerging analytical tool capable of monitoring the biochemistry within an individual living mammalian cell in real time. This unique technique provides infrared (IR) spectra, hence chemical information, with high signal to noise at spatial resolutions as fine as 3-10 mum. Mid-IR photons are too low in energy (0.05-0.5 eV) to either break bonds or to cause ionization, and the synchrotron IR beam has been shown to produce minimal sample heating. However, an important question remains, "Does the intense synchrotron beam induce any cytotoxic effects in living cells?" In this work, we present the results from a series of standard biological assays to evaluate any short- and/or long-term effects on cells exposed to the synchrotron radiation-based infrared (SR-IR) beam. Cell viability was tested using alcian blue dye exclusion and colony formation assays. Cell-cycle progression was tested with bromodeoxyuridine (BrdU) uptake during DNA synthesis. Cell metabolism was tested using a 3-[4,5-Dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay. All control, 5, 10, and 20 min SR-IR exposure tests (267 total and over control 1000 controls) show no evidence of cytotoxic effects. Concurrent infrared spectra obtained with each experiment confirm no detectable biochemical changes between control and exposed cells. (C) 2002 Society of Photo-Optical Instrumentation Engineers. C1 Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. RP Holman, HYN (reprint author), Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Mail Stop 70A-3317, Berkeley, CA 94720 USA. RI McKinney, Wayne/F-2027-2014; Holman, Hoi-Ying/N-8451-2014 OI McKinney, Wayne/0000-0003-2586-3139; Holman, Hoi-Ying/0000-0002-7534-2625 NR 38 TC 44 Z9 44 U1 1 U2 3 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD JUL PY 2002 VL 7 IS 3 BP 417 EP 424 DI 10.1117/1.1485299 PG 8 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 584RR UT WOS:000177482700018 PM 12175292 ER PT J AU Song, LG Liu, TB Liang, DH Wu, CH Zaitsev, VS Dresco, PA Chu, B AF Song, LG Liu, TB Liang, DH Wu, CH Zaitsev, VS Dresco, PA Chu, B TI Coupling of optical characterization with particle and network synthesis for biomedical applications SO JOURNAL OF BIOMEDICAL OPTICS LA English DT Article DE polymeric magnetic particles; DNA separation medium; capillary electrophoresis; laser light scattering; small angle x-ray scattering; atomic force microscopy ID HIGH-SPEED SEPARATION; LOW-VISCOSITY POLYMER; HUMAN-GENOME-PROJECT; CAPILLARY-ELECTROPHORESIS; DNA SEPARATION; TRIBLOCK COPOLYMERS; AQUEOUS-SOLUTION; HIGH-RESOLUTION; CONTRAST AGENT; STRANDED-DNA AB Polymeric microspheres containing a magnetic core have been used in cancer therapy for biophysical targeting of antitumor agents and in magnetic resonance imaging as contrasting agents. For the Human Genome Project, deoxyribose nucleic acid (DNA) capillary electrophoresis has become the most widely used analytical technique where a key component is the design of an effective separation medium. The synthesis and optical characterization of polymeric coated superparamagnetic nanoparticles and of (self-assembled) polymer networks by means of a range of physical techniques, including laser light scattering and laser-induced fluorescence detection, are presented. (1) Polymeric microspheres with a superparamagnetic core. A water-in-oil microemulsion approach has been used successfully to synthesize the superparamagnetic core and the polymeric microsphere in one continuous step. The synthesis permits us to control the magnetic nanoparticle size and the thickness of the hydrogel, ranging from 80 to 320 nm. Magnetite concentration in the microspheres, calculated by vibrating-sample magnetometry, was found to be up to 3.3 wt%. The internal structure of the microspheres, as observed by atomic force microscopy, confirmed a core-shell model. (2) Development of new separation media for DNA capillary electrophoresis. Block copolymers in selective solvents can self-assemble to form supramolecular structures in solution. The nanostructures can be characterized in the dilute concentration regime by means of laser light scattering. At semidilute concentrations, the mesh size, the supramolecular structure, and the surface morphology can be investigated by means of small angle x-ray scattering and atomic force microscopy. The structural knowledge and the information on chain dynamics can then be correlated with electrophoresis using laser-induced fluorescence detection to provide a deeper understanding for the development of new separation media. (C) 2002 Society of Photo-Optical Instrumentation Engineers. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Tamkang Univ, Dept Chem, Tamsui 251, Taiwan. RP Chu, B (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RI Liu, Tianbo/D-8915-2017 OI Liu, Tianbo/0000-0002-8181-1790 FU NHGRI NIH HHS [2R01HG0138607] NR 51 TC 3 Z9 6 U1 4 U2 14 PU SPIE-INT SOCIETY OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98225 USA SN 1083-3668 J9 J BIOMED OPT JI J. Biomed. Opt. PD JUL PY 2002 VL 7 IS 3 BP 498 EP 506 DI 10.1117/1.1482380 PG 9 WC Biochemical Research Methods; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Biochemistry & Molecular Biology; Optics; Radiology, Nuclear Medicine & Medical Imaging GA 584RR UT WOS:000177482700029 PM 12175303 ER PT J AU Chen, KD Bell, AT Iglesia, E AF Chen, KD Bell, AT Iglesia, E TI The relationship between the electronic and redox properties of dispersed metal oxides and their turnover rates in oxidative dehydrogenation reactions SO JOURNAL OF CATALYSIS LA English DT Article ID TEMPERATURE-PROGRAMMED REDUCTION; SELECTIVE OXIDATION; ISOTOPIC TRACER; TUNGSTEN-OXIDE; CATALYSTS; PROPANE; VANADIUM; MOLYBDENUM; ALKANES; PROMOTERS AB The mechanistic connections among propane oxidative dehydrogenation (ODH) rates, H-2 reduction rates, and the electronic transitions responsible for the absorption edge in the electronic spectra of dispersed metal oxides were explored for VOx, MoOx, WOx, and NbOx samples consisting predominately of two-dimensional oxide domains supported on Al2O3, ZrO2, and MgO. For a given active oxide, propane turnover rates increased in parallel with the reduction rate of the oxide catalyst using H-2, but propane ODH rates differed significantly among different metal oxide samples with similar H-2 reduction rates. For all catalysts, ODH turnover rates increased monotonically as the energy of the absorption edge in the UV-visible spectrum decreased. These results, taken together with the respective mechanisms for electron transfer during C-H bond activation and during the ligand-to-metal charge-transfer processes responsible for the UV-visible edge, suggest that the stability of activated complexes in C-H bond dissociation steps depends sensitively on the ability of the active oxide domains to transfer electrons from lattice oxygen atoms to metal centers. The electronic transitions responsible for the UV-visible absorption edge are mechanistically related to the redox cycles involving lattice oxygens responsible for oxidative dehydrogenation turnovers of alkanes. As a result, the details of near-edge electronic spectra provide useful guidance about intrinsic reaction rates on active oxides typically used for these reactions. (C) 2002 Elsevier Science (USA). C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RI Iglesia, Enrique/D-9551-2017; OI Iglesia, Enrique/0000-0003-4109-1001; Bell, Alexis/0000-0002-5738-4645 NR 35 TC 172 Z9 174 U1 4 U2 77 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 JUL 1 PY 2002 VL 209 IS 1 BP 35 EP 42 DI 10.1006/jcat.2002.3620 PG 8 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 567TK UT WOS:000176501100005 ER PT J AU Wood, BR Reimer, JA Bell, AG AF Wood, BR Reimer, JA Bell, AG TI Studies of N(2)O adsorption and decomposition on Fe-ZSM-5 SO JOURNAL OF CATALYSIS LA English DT Article ID NITROUS-OXIDE ADSORPTION; LIGHT-OFF; ZEOLITES; OXIDATION; METHANE; IRON; CATALYSTS; FE/ZSM-5; H-ZSM-5; SPECTROSCOPY AB The interactions of N(2)O with H-ZSM-5 and Fe-ZSM-5 have been investigated using infrared spectroscopy and temperature-programmed reaction. Fe-ZSM-5 samples with Fe/Al ratios of 0.17 and 0.33 were prepared by solid-state exchange. It was determined that most of the iron in the samples of Fe-ZSM-5 is in the form of isolated cations, which have exchanged with Bronsted acid H(+) in H-ZSM-5. The infrared spectrum of N(2)O adsorbed on H-ZSM-5 at 298 K exhibits bands at 2226 and 1308 cm(-1) associated with vibrations of the N-N and N-O bonds, respectively. The positions of these bands relative to those seen in the gas phase suggest that N(2)O adsorbs through the nitrogen end of the molecule. The heat of N(2)O adsorption in H-ZSM-5 is estimated to be 5 kcal/mol. In the case of Fe-ZSM-5, additional infrared bands are observed at 2282 and 1344 cm-1 due to the interactions of N(2)O with the iron cations. Here, too, the directions of the shifts in the vibrational features relative to those for gas-phase N(2)O suggest that the molecule adsorbs through its nitrogen end. The heat of adsorption of N(2)O on the Fe sites is estimated to be 16 kcal/mol. The extent of N(2)O adsorption on Fe depends on the oxidation state of Fe. The degree of N(2)O adsorption is higher following pretreatment of the sample in He or CO at 773 K than following pretreatment in O(2) or N(2)O at the same temperature. Temperature-programmed decomposition of N(2)O Was performed on the Fe-ZSM-5 samples and revealed that N(2)O decomposes stoichiometrically to N(2) and O(2). A higher activity was observed when the catalysts were pretreated in He than when they were pretreated in N(2)O. For the He-pretreated samples, the activation energy for N(2)O decomposition was estimated to be 42 kcal/mol and the preexponential factor of the rate coefficient for this process was found to increase with Fe/Al ratio. This trend was attributed to the increasing autoreducibility of Fe(3+) cations to Fe cations with increasing Fe/Al ratio. (C) 2002 Elsevier Science (USA). C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Bell, AG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 NR 32 TC 60 Z9 66 U1 1 U2 14 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 JUL 1 PY 2002 VL 209 IS 1 BP 151 EP 158 DI 10.1006/jcat.2002.3610 PG 8 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 567TK UT WOS:000176501100018 ER PT J AU Wilkes, KE Yarbrough, DW Gabbard, WA Nelson, GE Booth, JR AF Wilkes, KE Yarbrough, DW Gabbard, WA Nelson, GE Booth, JR TI Aging of polyurethane foam insulation in simulated refrigerator panels - Three-year results with third-generation blowing agents SO JOURNAL OF CELLULAR PLASTICS LA English DT Article AB Laboratory data are presented on the effect of constant-temperature aging on the apparent thermal conductivity of polyurethane foam insulation for refrigerators and freezers. The foam specimens were blown with HCFC-141b and with three of its potential replacements-HFC-134a, HFC-245fa, and cyclopentane. Specimens were aged at constant temperatures of 90degreesF, 40degreesF, and -10degreesF. Thermal conductivity measurements were made on two types of specimens: full-thickness simulated refrigerator panels containing foam enclosed between solid plastic sheets, and thin slices of core foam cut from similar panels. Results are presented for the first three years of a multi-year aging study. Preliminary comparisons of measured data with predictions of a mathematical aging model are presented. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Tennessee Technol Univ, Dept Chem Engn, Cookeville, TN 38505 USA. RP Wilkes, KE (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. NR 16 TC 6 Z9 7 U1 0 U2 3 PU SAGE PUBLICATIONS LTD PI LONDON PA 6 BONHILL STREET, LONDON EC2A 4PU, ENGLAND SN 0021-955X J9 J CELL PLAST JI J. Cell. Plast. PD JUL PY 2002 VL 38 IS 4 BP 317 EP 339 DI 10.1177/0021955X02038004142 PG 23 WC Chemistry, Applied; Polymer Science SC Chemistry; Polymer Science GA 585MJ UT WOS:000177528300003 ER PT J AU Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A TI Vapor pressure, heat capacity, and density along the saturation line: Measurements for benzenamine, butylbenzene, sec-butylbenzene, tert-butylbenzene, 2,2-dimethylbutanoic acid, tridecafluoroheptanoic acid, 2-butyl-2-ethyl-1,3-propanediol, 2,2,4-trimethyl-1,3-pentanediol, and 1-chloro-2-propanol SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Review ID 3RD VIRIAL-COEFFICIENT; IDEAL-GAS ENTHALPIES; THERMODYNAMIC PROPERTIES; AROMATIC-HYDROCARBONS; PERFLUOROCARBOXYLIC ACIDS; THERMOPHYSICAL PROPERTIES; ALKYLBENZENES; NITROGEN; ALKANES; VALUES AB This paper reports measurements made within DIPPR2 Project 821 for the 1995 Project Year. Vapor pressures were measured to a pressure limit of 270 kPa or lower decomposition point using a twin ebulliometric apparatus for the nine compounds listed in the title. Liquid-phase densities along the saturation line were measured for each compound over a range of temperatures (ambient to a maximum of 523 K). A differential scanning calorimeter was used to measure two-phase (liquid + vapor) heat capacities for each compound in the temperature region ambient to the critical temperature or lower decomposition point. Where possible, the critical temperature and critical density for each compound were determined experimentally. The results of the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (restricted to within 50 K of the temperature region of the experimentally determined vapor pressures), enthalpies of fusion if solid at 310 K, solubility parameters, and heat capacities along the saturation line, Vapor-pressure representations were derived for each compound. All measured and derived values were compared with those obtained in a search of the literature. Recommended critical parameters are listed for each of the compounds studied except 1-chloro-2-propanol. The compounds studied were benzenamine, butylbenzene, sec-butylbenzene, tert-butylbenzene, 2,2-dimethylbutanoic acid, tridecafluoroheptanoic acid, 2-butyl-2-ethyl-1,3-propanediol, 2,2,4-trimethyl-1,3-pentanediol, and 1-chloro-2-propanol. C1 NIPER, Bartlesville Thermophyus Grp, BDM Oklahoma Inc, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Phys Properties Res Facil, Nucl Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. NR 142 TC 33 Z9 35 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 648 EP 666 DI 10.1021/je010083e PG 19 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700003 ER PT J AU Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A TI Thermodynamic properties and ideal-gas enthalpies of formation for methyl benzoate, ethyl benzoate, (R)-(+)-limonene, tert-amyl methyl ether, trans-crotonaldehyde, and diethylene glycol SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Review ID VAPOR-LIQUID-EQUILIBRIUM; 3RD VIRIAL-COEFFICIENT; REFRACTIVE-INDEXES; CRITICAL-TEMPERATURES; THERMOPHYSICAL PROPERTIES; ADIABATIC CALORIMETRY; BINARY-MIXTURES; ALKYL BENZOATES; HEAT-CAPACITIES; BUTYL ETHER AB Ideal-gas enthalpies of formation of methyl benzoate, ethyl benzoate, (R)-(+)-limonene, tert-amvl methyl ether, trans-crotonaldehyde, and diethylene glycol are reported. The standard energy of combustion and hence standard enthalpy of formation of each compound in the liquid phase has been measured using an oxygen rotating-bomb calorimeter without rotation. Vapor pressures were measured to a pressure limit of 270 kPa or the lower decomposition point for each of the six compounds using a twin ebulliometric apparatus. Liquid-phase densities along the saturation line were measured for each compound over a range of temperature (ambient to a maximum of 548 K). A differential scanning calorimeter was used to measure two-phase (liquid + vapor) heat capacities for each compound in the temperature region ambient to the critical temperature or lower decomposition point. For methyl benzoate and tert-amyl methyl ether, critical temperatures and critical densities were determined from the DSC results and corresponding critical pressures derived from the fitting procedures. Fitting procedures were used to derive critical temperatures, critical pressures, and critical densities for each of the remaining compounds. The results of the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (restricted to within 50 K of the temperature region of the experimentally determined vapor pressures), and heat capacities along the saturation line. Wagner-type vapor-pressure equations were derived for each compound. All measured and derived values were compared with those obtained in a search of the literature. Recommended critical parameters are listed for each of the compounds studied. Group-additivity parameters, useful in the application of the Benson gas-phase group-contribution correlations, were derived. C1 BDM Oklahoma Inc, Natl Inst Petr & Energy Res, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Phys Properties Res Facil, Nucl Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. NR 133 TC 42 Z9 42 U1 4 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 667 EP 688 DI 10.1021/je0100847 PG 22 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700004 ER PT J AU Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A TI Measurements of vapor pressure, heat capacity, and density along the saturation line for epsilon-caprolactam, pyrazine, 1,2-propanediol, triethylene glycol, phenyl acetylene, and diphenyl acetylene SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID 3RD VIRIAL-COEFFICIENT; THERMODYNAMIC PROPERTIES; CRITICAL-TEMPERATURES AB This paper reports measurements made for DIPPR Research Project 821 in the 1996 Project Year. Vapor pressures were measured to a pressure limit of 270 kPa (unless decomposition occurred) for all six compounds using a twin ebulliometric apparatus. Additionally, for c-caprolactam, measurements at low pressures (0.043 kPa to 3,0.8 kPa) were performed using an inclined-piston apparatus. Liquid-phase densities along the saturation line were measured for each compound over a range of temperatures (ambient to a maximura of 548 K). A differential scanning calorimeter was used to measure two-phase (liquid + vapor) heat capacities for each compound in the temperature region ambient to the critical temperature or lower decomposition point. A critical temperature and the corresponding critical density were determined experimentally for pyrazine. The results of all the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (within the temperature range (+/-50 K) of the vapor pressures), enthalpies of fusion if solid at ambient temperature, solubility parameter, and heat capacities along the saturation line. Wagner-type vapor-pressure equations Were derived for each compound. In addition, the liquid-phase densities were compared with values derived using a four-term power series in [(1 - T-r)(n/3)]. For epsilon-caprolactam, the results of the present measurements were combined with literature values to derive a "Third Law" estimate of sublimation pressures in the region of ambient temperature. All measured and derived values were compared with those obtained in a search of the literature. C1 BDM Petr Technol, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Nucl Sci & Technol Div, Phys Properties Res Facil, POB 2008, Oak Ridge, TN 37831 USA. NR 64 TC 40 Z9 40 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 689 EP 699 DI 10.1021/je010085z PG 11 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700005 ER PT J AU Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A TI Thermodynamic properties and ideal-gas enthalpies of formation for trans-methyl cinnamate, alpha-methyl cinnamaldehyde, methyl methacrylate, 1-nonyne, trimethylacetic acid, trimethylacetic anhydride, and ethyl trimethyl acetate SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID 3RD VIRIAL-COEFFICIENT; VAPOR-PRESSURE; DIMETHYL CARBONATE; SATURATION LINE; HEAT-CAPACITY; OCTYL SULFIDE; ETHER; 298.15-K; NITROGEN; DENSITY AB The results of a study aimed at improvement of group-contribution methodology for estimation of thermodynamic properties of organic substances are reported. Specific weaknesses where particular group-contribution terms were unknown, or estimated because of lack of experimental data, are addressed by experimental studies of enthalpies of combustion in the condensed phase, vapor-pressure measurements, and differential scanning calorimetzic heat-capacity measurements. Ideal-gas and condensed-phase enthalpies of formation of trans-methyl cinnamate, a-methyl cinnamaldehyde, methyl methacrylate, 1-nonyne, trimethylacetic acid, trimethylacetic anhydride, and ethyl trimethyl acetate are reported. Enthalpies of fusion were determined for trans-methyl cinnamate and trimethylacetic acid. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for all the compounds. For ethyl trimethyl acetate, the values of the critical temperature and critical density were determined from the DSC results and the corresponding critical pressure was derived from the fitting procedures. The results of all the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (restricted to within 50 K of the temperature range of the vapor pressures), and heat capacities along the saturation line. Wagner-type vapor-pressure equations were derived for each compound. Group-additivity enthalpy of formation parameters and strain energies useful in the application of ideal-gas group-contribution correlations were derived. C1 BDM Petr Technol, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Phys Properties Res Facil, POB 2008, Oak Ridge, TN 37831 USA. NR 89 TC 20 Z9 22 U1 1 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 700 EP 714 DI 10.1021/je010086br PG 15 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700006 ER PT J AU Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Knipmeyer, SE Nguyen, A TI Measurements of vapor pressure, heat capacity, and density along the saturation line for cyclopropane carboxylic acid, N,N-diethylethanolamine, 2,3-dihydrofuran, 5-hexen-2-one, perfluorobutanoic acid, and 2-phenylpropionaldehyde SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID IDEAL-GAS ENTHALPIES; 3RD VIRIAL-COEFFICIENT; THERMODYNAMIC PROPERTIES; DIMETHYL CARBONATE; GROUP ADDITIVITY; OCTYL SULFIDE; ETHER; NITROGEN AB This paper reports measurements made for DIPPR Research Project 821 in-the 1997 Project Year. Vapor pressures were measured to a pressure limit of 270 kPa or lower decomposition point for all six compounds using a twin ebulliometric apparatus. Liquid-phase densities along the saturation line were measured for each compound over a range of temperatures (ambient to a maximum of 448 K). A differential scanning calorimeter was used to measure two-phase (liquid + vapor) heat capacities for each compound in the temperature region ambient to the critical temperature or lower decomposition point. The results of all the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization [within the temperature range (+/-50 K) of the vapor pressures], solubility parameter, and heat capacities along the saturation line. Wagner-type vapor-pressure equations were derived for each compound. In addition, the liquid-phase densities were compared with values derived using a four-term power series in [(1 - T-r)(n/3)] All measured and derived values were compared with those obtained in a search of the literature. C1 BDM Petr Technol, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Phys Properties Res Facil, Nucl Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. NR 37 TC 20 Z9 21 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 715 EP 724 DI 10.1021/je010087j PG 10 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700007 ER PT J AU Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A AF Steele, WV Chirico, RD Cowell, AB Knipmeyer, SE Nguyen, A TI Thermodynamic properties and ideal-gas enthalpies of formation for 1,4 diisopropylbenzene,1,2,4,5-tetraisoprophylbenzene, cyclohexanone oxime, dimethyl malonate, glutaric acid and pimelic acid SO JOURNAL OF CHEMICAL AND ENGINEERING DATA LA English DT Article ID 3RD VIRIAL-COEFFICIENT; VAPOR-PRESSURE; DICARBOXYLIC-ACIDS; PHASE-TRANSITIONS; ORGANIC-COMPOUNDS; SATURATION LINE; OCTYL SULFIDE; HEAT-CAPACITY; ETHER; COMBUSTION AB The results of a study aimed at improvement of group-contribution methodology for estimation of enthalpies of formation in the ideal-gas state for pure organic substances are reported. Specific weaknesses where particular group-contribution terms were unknown, or estimated because of lack of experimental data, are addressed by experimental studies of enthalpies of combustion in the condensed phase, vaporpressure measurements, and differential scanning calorimetric (DSC) heat-capacity measurements. Enthalpies of formation in the condensed phase were determined for 1,4-diisopropylbenzene, 1,2,4,5-tetraisopropylbenzene, dimethyl malonate, glutaric acid, pimelic acid, and cyclohexanone oxime. Ideal-gas enthalpies of formation for each of the compounds except pimelic acid are also reported. Enthalpies of fusion and for crystalline phase transitions were determined for 1,2,4,5-tetraisopropylbenzene, cyclohexanone oxime, glutaric acid, and pimelic acid. Two-phase (solid + vapor) or (liquid + vapor) heat capacities were determined from 300 K to the critical region or earlier decomposition temperature for all the title compounds. For 1,4-diisopropylbenzene, 1,2,4,5-tetraisopropylbenzene, and dimethyl malonate, values of the critical temperature and critical density were determined from the DSC results and the corresponding critical pressure was derived from the fitting procedures. The results of all the measurements were combined to derive a series of thermophysical properties including critical temperature, critical density, critical pressure, acentric factor, enthalpies of vaporization (restricted to within :1:50 K of the temperature range of the vapor pressures), and heat capacities along the saturation line. Wagner-type vapor-pressure equations were derived for each compound. Enthalpies of sublimation were derived for cyclohexanone oxime and, using literature vapor pressures, glutaric acid. Group-additivity enthalpy of formation parameters and strain energies useful in the application of ideal-gas-phase group-contribution correlations were derived. Errors in the literature data for the enthalpy of formation of diethyl malonate are noted. C1 BDM Petr Technol, Bartlesville, OK 74005 USA. RP Steele, WV (reprint author), Oak Ridge Natl Lab, Phys Properties Res Facil, Nucl Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. NR 81 TC 19 Z9 20 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9568 J9 J CHEM ENG DATA JI J. Chem. Eng. Data PD JUL-AUG PY 2002 VL 47 IS 4 BP 725 EP 739 DI 10.1021/je010088b PG 15 WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 573BD UT WOS:000176808700008 ER PT J AU Eagle, CT Kavallieratos, K Bryan, JC AF Eagle, CT Kavallieratos, K Bryan, JC TI Nonpreorganized neutral acyclic anion receptors: Structural investigations of N,N '-diphenyl-1,3-benzenedisulfonamide and N,N ' bis(4-t-butylphenyl)-1,3-benzenedisulfonamide SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE anion; crystal structure; synthesis; conformation; dual-host; extraction ID ION-PAIR EXTRACTION; HOST; 1,2-DICHLOROETHANE AB The structure of N,N'-diphenyl-1,3-benzenedisulfonamide (1) was determined by single crystal X-ray diffraction. It crystallizes in P2(1)/n with cell dimensions: a = 11.8390(6) Angstrom, b = 12.3950(10) Angstrom, c = 12.1184(10) Angstrom, beta = 94.388(6)degrees, and V = 1773.1(2) Angstrom(3). Its di-t-butyl derivative, N,N'-bis(4-t-butylphenyl)-1,3-benzenedisulfonamide (2), was prepared and structurally characterized as two solvated structures. Both crystallize in P ($) over bar 1 with cell dimensions: 2 . CF3CH2OH, a = 9.469(2) Angstrom, b = 10.0039(18) Angstrom, c = 16.385(3) Angstrom, alpha = 85.561(16)degrees, beta = 83.035(18)degrees, gamma = 72.459(16), and V = 1467.7(5) Angstrom(3); 2 . ClCH2CH2Cl, a = 9.559(2) Angstrom, b = 9.8125(12) Angstrom, c = 17.100(6) Angstrom, alpha = 82.495(19)degrees, beta = 83.47(2)degrees, gamma = 70.100(15), and V = 1491.1(6) Angstrom(3). The structures exhibit hydrogen-bonding, and are evaluated in terms of preorganization for anion binding. C1 Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RP Bryan, JC (reprint author), Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RI G, Neela/H-3016-2014 NR 11 TC 4 Z9 4 U1 0 U2 0 PU KLUWER ACADEMIC/PLENUM PUBL PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD JUL PY 2002 VL 32 IS 7 BP 165 EP 170 DI 10.1023/A:1020283701925 PG 6 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA 593RB UT WOS:000178005000002 ER PT J AU Rexer, EF Jellinek, J Krissinel, EB Parks, EK Riley, SJ AF Rexer, EF Jellinek, J Krissinel, EB Parks, EK Riley, SJ TI Theoretical and experimental studies of the structures of 12-, 13-, and 14-atom bimetallic nickel/aluminum clusters SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID TRANSITION-METAL CLUSTERS; ELECTRONIC SHELL STRUCTURE; SMALL COBALT CLUSTERS; SMALL NICKEL CLUSTERS; AL ALLOY CLUSTERS; IONIZATION-POTENTIALS; IRON CLUSTERS; MANGANESE CLUSTERS; TEMPERATURE-DEPENDENCE; DYNAMICAL PROPERTIES AB The structures of Ni(n)Al(p) clusters of all compositions with n+p=12, 13, and 14 are studied both experimentally and theoretically. Experimental reactions of the clusters with N(2) are used to determine the number of Ni atoms residing in the cluster surfaces. In agreement with the theoretical predictions, the N(2) saturation levels are consistent with clusters having icosahedral and icosahedral-based structures. The various N(2) adsorption channels seen in the experiment are explained in terms of the computed composition-dependent patterns of the configurational energies of the different structural forms. (C) 2002 American Institute of Physics. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Rexer, EF (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jellinek@anl.gov; sjriley@anl.gov NR 82 TC 47 Z9 49 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 1 PY 2002 VL 117 IS 1 BP 82 EP 94 DI 10.1063/1.1481386 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 563UT UT WOS:000176275700012 ER PT J AU Parks, EK Rexer, EF Riley, SJ AF Parks, EK Rexer, EF Riley, SJ TI Locating the Al atom in Ni14Al-Ni19Al clusters SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SMALL NICKEL CLUSTERS AB Reactions of N-2 with NinAl clusters, n=14-19, are used to determine the location of the Al atom within the cluster framework. N-2 saturation levels are consistent with cluster structures in which one surface atom of the corresponding Nin+1 cluster is replaced with an Al atom. For n=14 and 17-19 it is possible to precisely locate the Al atom within the surface. In general, its placement maximizes the number of Ni-Al bonds for a surface Al atom. (C) 2002 American Institute of Physics. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Parks, EK (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 9 TC 8 Z9 8 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 1 PY 2002 VL 117 IS 1 BP 95 EP 99 DI 10.1063/1.1481387 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 563UT UT WOS:000176275700013 ER PT J AU Kawashima, Y Dupuis, M Hirao, K AF Kawashima, Y Dupuis, M Hirao, K TI Monte Carlo microsolvation simulations for excited states using a mixed-Hamiltonian model with polarizable and vibrating waters: Applications to the blueshift of the H2CO (1)(pi(*)<- n) excitation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID CARBONYL-COMPOUNDS; AQUEOUS-SOLUTION; LIQUID WATER; FORCE-FIELD; FORMALDEHYDE; TRANSITION; SOLVATION; HYDROGEN; DYNAMICS; QUANTUM AB The previously formulated quantum mechanical molecular mechanical (QM/MM) model applicable to the microsolvated solute excited state, the QM/MM-pol-vib/CAV model, has been combined with a Monte Carlo averaging scheme to derive the averaged properties of the solvated solutes. The methodology was applied to the electronic (1)(pi(*)<--n) excitation of formaldehyde in water. We first performed Monte Carlo MM/MM calculations to generate the water configurations. Then, we chose 400 configurations for the QM/MM excitation energy calculations. Finally, we carried out complete active space self-consistent field calculations to derive the average excitation energy. Several different sizes of water clusters with 23, 54, and 108 water molecules were used. The first solvent shell of the clusters was found to be well structured. We also calculated the shift of the vertical excitation energies and of the dipole moments resulting from microsolvation. The calculated blueshift of the vertical excitation energies using a nonpolarizable MM potential was in the range 2610-2690 cm(-1), and using a polarizable MM potential, was in the range 2540-2660 cm(-)1. Thus the treatment that considered polarization improved the results, although the improvement was not significant. The cluster size dependence has been found to be small which indicates that the outer water molecules have little influence to the solute-solvent interaction. The dipole moments of the ground and excited states showed a significant increase arising from microsolvation. The ground state dipole moment showed larger solvent shifts than the excited state dipole moment. This leads to a decrease in the strength of the hydrogen bond between the oxygen atom of formaldehyde and hydrogen atoms of water after excitation. We analyzed the structures of the solvent configurations that produced both high and low blueshifts. The first solvent shell is proven to play a principal role in the solvent effect. (C) 2002 American Institute of Physics. C1 Univ Tokyo, Fac Engn, Dept Appl Chem, Tokyo 1138656, Japan. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Kawashima, Y (reprint author), Univ Tokyo, Fac Engn, Dept Appl Chem, Tokyo 1138656, Japan. RI Hirao, Kimihiko/N-5483-2015; Kawashima, Yukio/B-7432-2014 OI Kawashima, Yukio/0000-0001-5918-1211 NR 31 TC 29 Z9 31 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 1 PY 2002 VL 117 IS 1 BP 248 EP 257 DI 10.1063/1.1482700 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 563UT UT WOS:000176275700031 ER PT J AU Yang, KL Yiacoumi, S Tsouris, C AF Yang, KL Yiacoumi, S Tsouris, C TI Canonical Monte Carlo simulations of the fluctuating-charge molecular water between charged surfaces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID EFFECTIVE PAIR POTENTIALS; ELECTRICAL DOUBLE-LAYER; ION-DIPOLE MIXTURES; LIQUID WATER; COMPUTER-SIMULATION; ELECTROLYTE SOLUTION; AQUEOUS-SOLUTIONS; X-RAY; MODEL; INTERFACE AB Monte Carlo simulations have been performed to study the arrangement of water molecules between charged surfaces. The molecular water used-the four- point transferable intermolecular potential (TIP4P), together with fluctuating charge (FQ)-constitutes the water model TIP4P-FQ. The TIP4P-FQ features the same molecular frame as the TIP4P model; however, with the former, charges on the molecular sites of the same molecule are allowed to fluctuate in response to their environment. Therefore, the induced dipole moment under an external field is inherently considered in the TIP4P-FQ water model. This feature makes it more useful than multipoint fixed-charge models, such as the TIP4P, in studying water arrangement between charged surfaces. The formation of a few ordering layers of water molecules adjacent to a charged surface is confirmed by (N,V,T) Monte Carlo simulations. The preferable orientation of water molecules in this study is found to be similar to previous findings in the literature, with the oxygen atoms pointing to the positively charged surface (oxygen-down) and the hydrogen atoms pointing to the negatively charged surface (oxygen-up). Modeling results also demonstrate that the dominant orientation at the negatively charged surface is one O-H bond pointing to the surface while another O-H bond is aligned parallel to the charged surface. In addition, simulation results using the TIP4P-FQ water model show that the water density in the interfacial region increases similar to8%-14%, which is lower than the density increase observed in experimental data discussed in the literature. (C) 2002 American Institute of Physics. C1 Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. Oak Ridge Natl Lab, Separat & Mat Res Grp, Oak Ridge, TN 37831 USA. RP Yiacoumi, S (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. RI Yang, Kun-Lin/C-2247-2011; Tsouris, Costas/C-2544-2016 OI Yang, Kun-Lin/0000-0002-7958-9334; Tsouris, Costas/0000-0002-0522-1027 NR 48 TC 22 Z9 22 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 1 PY 2002 VL 117 IS 1 BP 337 EP 345 DI 10.1063/1.1480858 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 563UT UT WOS:000176275700041 ER PT J AU Borukhov, I Lee, KC Bruinsma, RF Gelbart, WM Liu, AJ Stevens, MJ AF Borukhov, I Lee, KC Bruinsma, RF Gelbart, WM Liu, AJ Stevens, MJ TI Association of two semiflexible polyelectrolytes by interchain linkers: Theory and simulations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID COMPETITIVE ELECTROSTATIC BINDING; DNA DENATURATION TRANSITION; MULTIVALENT SALT-SOLUTIONS; RODLIKE POLYELECTROLYTES; CHARGED RODS; THERMAL-DENATURATION; BUNDLE FORMATION; SIMPLE-MODEL; CONDENSATION; FLUCTUATIONS AB The aggregation of two highly charged semiflexible polyelectrolytes in the presence of generalized linkers is studied theoretically. This model provides insight into biological processes such as DNA condensation and F-actin self-assembly induced by either multivalent counterions or bundling proteins. The interplay between the bending rigidity of the chains and their electrostatic interactions leads to an effective interlinker interaction that is repulsive at large distances and attractive at short ones. We find a rounded phase transition from a dilute linker gas where the chains form large loops to a dense disordered linker fluid where the chains are almost parallel. The onset of chain pairing occurs as soon as the free energy of a pair of chains becomes lower than that of two isolated chains and is located well within the crossover regime between the two linker phases. Our main findings are confirmed by molecular dynamics simulations of two semiflexible charged chains in a mixture of monovalent and polyvalent counterions. This simple model allows us to recover qualitative features of experimental aggregation diagrams of DNA and F-actin and can also be used to study DNA denaturation. (C) 2002 American Institute of Physics. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Dept Phys, Los Angeles, CA 90095 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Borukhov, I (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. NR 83 TC 36 Z9 36 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 1 PY 2002 VL 117 IS 1 BP 462 EP 480 DI 10.1063/1.1481382 PG 19 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 563UT UT WOS:000176275700055 ER PT J AU Thorn, RJ AF Thorn, RJ TI On the origin of the lambda-type transition in heat capacity SO JOURNAL OF CHEMICAL THERMODYNAMICS LA English DT Article DE heat capacity; lambda-type transition ID YBA2CU3O7-DELTA AB The lambda-type transition in the variation of heat capacity with temperature consists of a narrow asymmetric maximum in phonon-driven heat capacity. Although it was not so labeled at the time, "the specific heat singularity in solid NH4Cl", obtained by Simon in 1922 was the first true lambda-anomaly to be discovered. Thereafter, the transition was discovered over a period of years in several cases. Sometime along the way, probably after its discovery in He-4, it became identified as the lambda-type transition. Analyses of the anomaly are effected in an attempt to find its origin and the parameters that characterize it. (C) 2002 Published by Elsevier Science Ltd. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Thorn, RJ (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 46 TC 4 Z9 4 U1 0 U2 2 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0021-9614 EI 1096-3626 J9 J CHEM THERMODYN JI J. Chem. Thermodyn. PD JUL PY 2002 VL 34 IS 7 BP 973 EP 985 DI 10.1006/jcht.2001.0947 PG 13 WC Thermodynamics; Chemistry, Physical SC Thermodynamics; Chemistry GA 595ZF UT WOS:000178137600002 ER PT J AU Kim, J Kim, TK Arritt, RW Miller, NL AF Kim, J Kim, TK Arritt, RW Miller, NL TI Impacts of increased atmospheric CO2 on the hydroclimate of the western United States SO JOURNAL OF CLIMATE LA English DT Article ID REGIONAL CLIMATE MODEL; NUMERICAL WEATHER PREDICTION; SOIL HYDROLOGY; WINTER SEASON; SNOW BUDGET; RIVER FLOW; PRECIPITATION; CALIFORNIA; GCM; SIMULATIONS AB Regional-scale projections of climate change signals due to increases in atmospheric CO2 are generated for the western United States using a regional climate model (RCM) nested within two global scenarios from a GCM. The downscaled control climate improved the local accuracy of the GCM results substantially. The downscaled control climate is reasonably close to the results of an 8-yr regional climate hindcast using the same RCM nested within the NCEP-NCAR reanalysis, despite wet biases in high-elevation regions along the Pacific coast. The downscaled near-surface temperature signal ranges from 3 to 5 K in the western United States. The projected warming signals generally increase with increasing elevation, consistent with earlier studies for the Swiss Alps and the northwestern United States. In addition to the snow-albedo feedback, seasonal variations of the low-level flow and soil moisture appear to play important roles in the spatial pattern of warming signals. Projected changes in precipitation characteristics are mainly associated with increased moisture fluxes from the Pacific Ocean and the increase in elevation of freezing levels during the cold season. Projected cold season precipitation increases substantially in mountainous areas along the Pacific Ocean. Most of the projected precipitation increase over the Sierra Nevada and the Cascades is in rainfall, while snowfall generally decreases except above 2500 m. Projected changes in summer rainfall are small. The snow budget signals are characterized by decreased (increased) cold season snowfall (snowmelt) and reduced snowmelt during spring and summer. The projected cold season runoff from high-elevation regions increases substantially in response to increased cold season rainfall and snowmelt, while the spring runoff decreases due to an earlier depletion of snow, except above 2500 m. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Iowa State Univ, Dept Agron, Ames, IA USA. RP Kim, J (reprint author), Univ Calif Los Angeles, Dept Atmospher Sci, Los Angeles, CA 90095 USA. EM jkim@atmos.ucla.edu RI Miller, Norman/E-6897-2010 NR 43 TC 34 Z9 35 U1 1 U2 9 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 J9 J CLIMATE JI J. Clim. PD JUL PY 2002 VL 15 IS 14 BP 1926 EP 1942 DI 10.1175/1520-0442(2002)015<1926:IOIACO>2.0.CO;2 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 570JQ UT WOS:000176655500008 ER PT J AU He, XY Doolen, GD Clark, T AF He, XY Doolen, GD Clark, T TI Comparison of the lattice Boltzmann method and the artificial compressibility method for Navier-Stokes equations SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID FLOW; MODEL AB This paper compares in detail the lattice Boltzmann method and an isothermal Navier-Stokes method. It is found that these two methods are closely related to each other. Both methods satisfy similar macroscopic governing equations in their continuous forms, but they differ from each other in their discrete forms. Besides the obvious differences in stencils for spatial discretization, these two methods also differ from each other in temporal discretization. Numerical tests show that these differences have little impact on the simulation of velocity fields but do generate noticeable differences in the pressure fields. Both methods are capable of simulating transient flows and exhibit oscillatory behavior due to the propagation of pressure waves. The lattice Boltzmann method may be more accurate for capturing the pressure waves. (C) 2002 Elsevier Science (USA). C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP He, XY (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. NR 20 TC 48 Z9 53 U1 1 U2 8 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 JUL 1 PY 2002 VL 179 IS 2 BP 439 EP 451 DI 10.1006/jcph.2002.7064 PG 13 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 568ME UT WOS:000176545200005 ER PT J AU Choi, H Lim, HN Kim, J Hwang, TM Kang, JW AF Choi, H Lim, HN Kim, J Hwang, TM Kang, JW TI Transport characteristics of gas phase ozone in unsaturated porous media for in-situ chemical oxidation SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE ozone transport; unsaturated porous media; in-situ chemical oxidation; metal oxides; soil organic matter; diesel-range organics ID DECOMPOSITION; SOILS; CATALYSTS AB Laboratory column experiments were conducted by employing various porous media to delineate the characteristics of gaseous ozone transport in the unsaturated zone under various conditions. Water content, soil organic matter (SOM), and metal oxides (MOs) were found to be the factors most influential in the fate and transport of gaseous ozone in unsaturated porous media. The migration velocity of the gaseous ozone front was inversely proportional to the MO content of the porous media. Increased water content at fixed gas flux decreased the ozone breakthrough time proportionally as a result of reduced gas pore volume (PV) in the column, and increased pore water interfered with reactions of gaseous ozone with SOM and MOs on the surface of porous media. The feasibility of in-situ ozone injection for the remediation of unsaturated soils contaminated with either phenanthrene or diesel-range organics (DROs) was investigated under various conditions. The maximum removal after 1 h of ozone injection was achieved in columns packed with baked sand, followed, in descending order, by glass beads and by sand, indicating that catalytic ozone decomposition with MOs in columns packed with baked sand enhanced hydroxyl radical formation and resulted in increased contaminant removal. Overall removal efficiency of multicomponent C-10-C-24 DROs after 14 h of ozonation was 78.7%. Ozone transport was retarded considerably because of the high ozone demand of DROs, requiring more than 6 It for the gaseous ozone to initially break through the soil column under the experimental conditions tested in this study. Overall, gaseous ozone was readily delivered and transported to remediate unsaturated soils contaminated with phenanthrene and DROs. (C) 2002 Elsevier Science B.V All rights reserved. C1 Kwangju Inst Sci & Technol, Dept Environm Sci & Engn, Buk Gu, Kwangju 500712, South Korea. Argonne Natl Lab, Div Environm Res, Argonne, IL 60439 USA. Yonsei Univ, Dept Environm Engn, Wonju 222701, South Korea. RP Choi, H (reprint author), Kwangju Inst Sci & Technol, Dept Environm Sci & Engn, Buk Gu, 1 Oryong Dong, Kwangju 500712, South Korea. NR 20 TC 51 Z9 52 U1 2 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD JUL PY 2002 VL 57 IS 1-2 BP 81 EP 98 AR PII S0169-7722(01)00219-4 DI 10.1016/S0169-7722(01)00219-4 PG 18 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 569XH UT WOS:000176627600005 PM 12143994 ER PT J AU Yu, KM Wu, J Walukiewicz, W Beeman, JW Ager, JW Haller, EE Miotkowski, I Ramdas, A AF Yu, KM Wu, J Walukiewicz, W Beeman, JW Ager, JW Haller, EE Miotkowski, I Ramdas, A TI Band anticrossing in highly mismatched group II-VI semiconductor alloys SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT 20th US Workshop on Physics and Chemistry of II-VI Materials CY OCT 03-05, 2001 CL ORLANDO, FL SP USA CECOM Night Vis & Electr Sensors Directirate, USA SMDC, USA Res Lab, Off Naval Res, AF Res Lab, USN Electro-Opt Ctr, Minerals Met & Mat Soc DE implantation; band anticrossing; highly mismatched alloys; photoreflectance ID N ION-IMPLANTATION; SOLAR-CELLS; GAP ENERGY; THIN-FILMS; GAINNAS; SPECTROSCOPY; INNXP1-X; GANAS; GAAS; ZNTE AB We have successfully synthesized highly mismatched Cd1-yMnyOxTe1-x alloys by high-dose implantation of 0 ions into Cd1-yMnyTe crystals. In crystals with y > 0.02, incorporation of 0 causes a large decrease in the bandgap. The bandgap reduction increases with y; the largest value observed is 190 meV in O+-implanted Cd0.38Mn0.62Te. The results are consistent with the band anti-crossing (BAC) model, which predicts that a repulsive interaction between localized states of 0 located above the conduction-band edge and the extended states of the conduction band causes the bandgap reduction. A best fit of the measured bandgap energies of the O-ion-synthesized Cd1-yMnyOxTe1-x allloys using the BAC model for y < 0.55 suggests an activation efficiency of only similar to 5% for implanted O in Cd1-yMnyTe. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. RP Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM KMYu@lbl.gov RI Yu, Kin Man/J-1399-2012; Wu, Junqiao/G-7840-2011; OI Yu, Kin Man/0000-0003-1350-9642; Wu, Junqiao/0000-0002-1498-0148; Ager, Joel/0000-0001-9334-9751 NR 22 TC 4 Z9 4 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD JUL PY 2002 VL 31 IS 7 BP 754 EP 758 DI 10.1007/s11664-002-0232-2 PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 574YB UT WOS:000176917000020 ER PT J AU Ndap, JO Rablau, CI Morrow, K Adetunji, OO Johnson, VA Chattopadhyay, K Page, RH Burger, A AF Ndap, JO Rablau, CI Morrow, K Adetunji, OO Johnson, VA Chattopadhyay, K Page, RH Burger, A TI Infrared spectroscopy of chromium-doped cadmium selenide SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT 20th US Workshop on Physics and Chemistry of II-VI Materials CY OCT 03-05, 2001 CL ORLANDO, FLORIDA SP USA CECOM Night Vis & Electr Sensors Directirate, USA SMDC, USA Res Lab, Off Naval Res, AF Res Lab, USN Electro-Opt Ctr, Minerals Met & Mat Soc DE Cr2+: CdSe; optical-absorption cross section; tunable solid-state lasers; emission lifetime ID II-VI LATTICES; ZINC CHALCOGENIDES; LASER; CR2+; EFFICIENT AB The maximum optical-absorption cross section of Cr2+ ions was evaluated from near-infrared (NIR) absorption spectroscopy and direct measurements of the chromium concentration in Cr2+ :CdSe crystals. The emission lifetime of the excited state, E-5, of Cr2+ was measured as a function of Cr2+ concentration in the 2 x 10(17)-2 x 10(18) ions/cm(3) range and as a function of temperature from 77-300 K. Lifetime values were as high as similar to6 mus in the 77-250 K range and decreased to similar to4 mus at 300 K because of nonradiative decays. Assuming that most of the Cr dopant is in the Cr2+ state, an optical-absorption cross section sigma(a) of (1.94 +/- 0.56) x 10(-18) cm(2) was calculated. Implications for laser performance are discussed. C1 Fisk Univ, Ctr Photon Mat & Devices, Nashville, TN 37208 USA. W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ndap, JO (reprint author), Fisk Univ, Ctr Photon Mat & Devices, Nashville, TN 37208 USA. NR 16 TC 7 Z9 7 U1 1 U2 4 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD JUL PY 2002 VL 31 IS 7 BP 802 EP 805 DI 10.1007/s11664-002-0240-2 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 574YB UT WOS:000176917000028 ER PT J AU Lassila, DH LeBlanc, MM Kay, GJ AF Lassila, DH LeBlanc, MM Kay, GJ TI Uniaxial stress deformation experiment for validation of 3-D dislocation dynamics simulations SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article AB Air apparatus has been developed for performing compression deformation experiments on oriented metallic single crystals to provide data for validation of 3-D dislocation dynamics simulations. The experiment is performed under conditions that allow unconstrained motion of the upper and lower compression platen, and thus a relatively uniform state of axial stress is maintained during the deformation. Experiments have been performed on high-purity Mo single crystal and polycrystalline Cu. Various aspects of the experimental procedures and results are presented. Possible usages of the experimental data for the validation of 3-D dislocation dynamics simulations are discussed. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lassila, DH (reprint author), Lawrence Livermore Natl Lab, POB 808,L-113, Livermore, CA 94551 USA. EM lassila1@llnl.gov NR 9 TC 9 Z9 9 U1 1 U2 1 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 290 EP 296 DI 10.1115/1.1479177 PG 7 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000002 ER PT J AU Gan, J Vetrano, JS Khaleel, MA AF Gan, J Vetrano, JS Khaleel, MA TI Microstructure characterization of dislocation wall structure in aluminum using transmission electron Microscopy SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID ORIENTATION; BOUNDARIES; METALS; FCC; TEM AB The configuration of dislocation wall structures and the interactions between dislocations and dislocation walls play, a significant role in the understanding of deformation processes in metals. Samples of single-crystal aluminum deformed by tensile-straining (15%) were analyzed using TEM. In tensile-deformed (15%) single crystal aluminum, a cell structure is well developed and dislocations in the cell boundaries consist of either one set of Burgers vector or two sets of Burgers vector. The three-dimensional image of cell wall structure, misorientation angle across the cell boundaries and the Burgers vectors of dislocations in the cell boundaries are characterized. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gan, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. OI khaleel, mohammad/0000-0001-7048-0749 NR 13 TC 12 Z9 12 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 297 EP 301 DI 10.1115/1.1479178 PG 5 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000003 ER PT J AU Clayton, JD Schroeter, BM McDowell, DL Graham, S AF Clayton, JD Schroeter, BM McDowell, DL Graham, S TI Distributions of stretch and rotation in polycrystalline OFHCCu SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID PLANE-STRAIN COMPRESSION; SHEAR-BAND FORMATION; PLASTIC-DEFORMATION; CRYSTAL PLASTICITY; GRAIN-BOUNDARIES; HETEROGENEOUS MATERIALS; MICROSTRUCTURAL ASPECTS; EVOLUTION; MODEL; FRACTURE AB High resolution experimental characterization of material stretch and rotation fields in relatively fine-grained polycrystals has been limited, inhibiting direct comparison with predictions of crystal plasticity theory. In this study, micron scale grids used more commonly in etching of substrates for microelectronic circuits were deposited on specimens of Oxygen Free High Conductivity Copper (OFHC Cu) subsequently subjected to uniaxial compressive deformations to effective strain levels tip to unity. Material stretch and rotation fields were assessed for fields of view encompassing on the order of 20 grains. Some rather striking features emerge, including the apparent relative lack of deformation in regions sized on the order of large grains, and the apparent concentration of stretch and rotation in bands surrounding these relatively undeformed areas. Comparisons are drawn with results of 3D crystal plasticity calculations performed on digitized grain structures that conform to representative microstructures in terms of initial grain size and shape distributions. The crystal plasticity simulations predict regions of relatively, large rotation and relatively localized stretch traversing multiple grains. The numerical solutions also exhibit slightly higher local stresses in the vicinity of grain boundaries and triple points than in grain interiors, a phenomenon attributed to local lattice misorientation among neighboring grains. However, the crystal plasticity calculations do not, in an average sense, predict larger-than-average maximum stretch or rotation in the grain boundary regions. The numerical solutions are also quite sensitive to initial lattice orientations assigned to the grains. Comments are made regarding the segmentation of slip within the grains and its implications for modeling, based upon direct comparison of results from experiments and simulations. C1 Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. Sandia Natl Labs, Livermore, CA USA. RP Clayton, JD (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RI Clayton, John/C-7760-2009 NR 67 TC 10 Z9 10 U1 0 U2 5 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 302 EP 313 DI 10.1115/1/1479354 PG 12 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000004 ER PT J AU Horstemeyer, MF Lim, J Lu, WY Mosher, DA Baskes, MI Prantil, VC Plimpton, SJ AF Horstemeyer, MF Lim, J Lu, WY Mosher, DA Baskes, MI Prantil, VC Plimpton, SJ TI Torsion/simple shear of single crystal copper SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID EMBEDDED-ATOM METHOD; POLYCRYSTAL ELASTOVISCOPLASTICITY; TEXTURE DEVELOPMENT; LARGE DEFORMATION; LATTICE-DEFECTS; LENGTH SCALE; STRAIN; CU; METALS; PLASTICITY AB We analyze simple shear and torsion of single crystal copper by employing experiments, molecular dynamics simulations, and finite element simulations in order to focus on the kinematic responses and the apparent yield strengths at different length scales of the specimens. In order to compare torsion with simple shear, the specimens were designed to be of similar size. To accomplish this, the ratio of the cylinder circumference to the axial, gage length in torsion equaled the ratio of the length to height of the simple shear mens (0.43). With the [110] crystallographic direction parallel to the rotational axis spect of the specimen, we observed a deformation wave of material that oscillated around the. specimen in torsion and through the length of the specimen in simple shear In torsion, the ratio of the wave amplitude divided by cylinder circumference ranged from 0.02-0.07 for the three different methods of analysis: experiments, molecular dynamics simulations, and finite element simulations. In simple shear, the ratio of the deformation wave amplitude divided by the specimen length and the corresponding values predicted by the molecular dynamics and finite element simulations (simple shear experiments were not performed) ranged from 0.23-0.26. Although each different analysis method gave similar results for each type boundary condition, the simple shear case gave approximately five times more amplitude than torsion. We attributed this observation to the plastic spin behaving differently as the simple shear case constrained the dislocation activity to planar double slip, but the torsion specimen experienced quadruple slip. The finite element simulations showed a clear relation with the plastic spin and the oscillation of the material wave. As for the Yield stress in simple shear, a size scale dependence was found regarding two different size atomistic simulations for copper (332 atoms and 23628 atoms). We extrapolated the atomistic yield stresses to the order of a centimeter and these comparisons were close to experimental data in the literature and the present study. C1 Sandia Natl Labs, Ctr Mat Sci & Engn, Livermore, CA 94551 USA. United Technol Res Ctr, E Hartford, CT 06108 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Milwaukee Sch Engn, Dept Mech Engn, Milwaukee, WI 53202 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Horstemeyer, MF (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, Livermore, CA 94551 USA. OI Horstemeyer, Mark/0000-0003-4230-0063 NR 32 TC 15 Z9 16 U1 0 U2 13 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 322 EP 328 DI 10.1115/1.1480407 PG 7 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000006 ER PT J AU Wirth, BD Bulatov, VV de la Rubia, TD AF Wirth, BD Bulatov, VV de la Rubia, TD TI Dislocation-stacking fault tetrahedron interactions in Cu SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID MOLECULAR-DYNAMICS; DISPLACEMENT CASCADES; IRRADIATED MATERIALS; INTERSTITIAL LOOPS; TENSILE PROPERTIES; FCC METALS; COPPER; ACCUMULATION; EVOLUTION; DAMAGE AB In copper and other face centered cubic metals, high-energy particle irradiation produces hardening and shear localization. Post-irradiation microstructural examination in Cu reveals that irradiation has produced a high number density of nanometer sized stacking fault tetrahedra. The resultant irradiation hardening and shear localization is commonly attributed to the interaction between stacking fault tetrahedra and mobile dislocations, although the mechanism of this interaction is unknown, In this work, we present results from a molecular dynamics simulation study to characterize the motion and velocity of edge dislocations a t high strain rate and ihe interaction and jute of the moving edge dislocation with stacking fault tetrahedra in Cu using an EAM interatomic potential. The results show that a perfect SFT acts as a hard obstacle for dislocation motion and, although the SFT is sheared by the dislocation passage, it remains largely intact. However, our simulations show that an overlapping, truncated SFT is absorbed by the passage of an edge dislocation. resulting in dislocation climb and the formation of a pair of less mobile super-jogs on the dislocation. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Wirth, BD (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RI Wirth, Brian/O-4878-2015 OI Wirth, Brian/0000-0002-0395-0285 NR 21 TC 76 Z9 78 U1 2 U2 30 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 329 EP 334 DI 10.1115/1.1479692 PG 6 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000007 ER PT J AU Regueiro, RA Bammann, DJ Marin, EB Garikipati, K AF Regueiro, RA Bammann, DJ Marin, EB Garikipati, K TI A nonlocal phenomenological anisotropic finite deformation plasticity model accounting for dislocation defects SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article ID STRAIN GRADIENT PLASTICITY; LATTICE INCOMPATIBILITY; CONSTITUTIVE-EQUATIONS; CRYSTAL PLASTICITY; LENGTH SCALE; ELASTOPLASTICITY; POLYCRYSTALS; INDENTATION; BOUNDARIES; DYNAMICS AB A phenomenological, polycrystalline version of a nonlocal crystal plasticity, model is formulated. The presence of geometrically necessary, dislocations (GNDs) at, or near grain boundaries is modeled as elastic lattice curvature through a curl of the elastic part of the deformation gradient. This spatial gradient of an internal state variable introduces a length scale, turning the local form of the model, an ordinary differential equation (ODE), into a nonlocal form, a partial differential equation (PDE) requiring boundary conditions. Small lattice elastic stretching results from the presence of dislocations and from macroscopic external loading. Finite deformation results from large plastic slip and large rotations. The thermodynamics and constitutive assumptions are written in the intermediate configuration in order to place the plasticity equations in the proper configuration for finite deformation analysis. C1 Sandia Natl Labs, Ctr Mat Sci & Engn, Livermore, CA 94551 USA. Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. RP Regueiro, RA (reprint author), Sandia Natl Labs, Ctr Mat Sci & Engn, Livermore, CA 94551 USA. EM raregue@sandia.gov OI Regueiro, Richard/0000-0002-1669-1753 NR 54 TC 33 Z9 33 U1 0 U2 9 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 EI 1528-8889 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD JUL PY 2002 VL 124 IS 3 BP 380 EP 387 DI 10.1115/1.1480410 PG 8 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 569CP UT WOS:000176583000014 ER PT J AU Plague, GR Larson, JH AF Plague, GR Larson, JH TI Analysis of an apparent genetic cline in the stonefly Pteronarcys scotti (Plecoptera : Pteronarcyidae) SO JOURNAL OF ENTOMOLOGICAL SCIENCE LA English DT Article DE Allozyme; sampling error; stream C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Plague, GR (reprint author), Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU GEORGIA ENTOMOLOGICAL SOC INC PI TIFTON PA PO BOX 748 DEPT ENTOMOLOGY COASTAL PLAIN EXPT STATION, TIFTON, GA 31793-0748 USA SN 0749-8004 J9 J ENTOMOL SCI JI J. Entomol. Sci. PD JUL PY 2002 VL 37 IS 3 BP 278 EP 280 PG 3 WC Entomology SC Entomology GA 585EG UT WOS:000177510800011 ER PT J AU Asano, KG Bayne, CK Horsman, KM Buchanan, MV AF Asano, KG Bayne, CK Horsman, KM Buchanan, MV TI Chemical composition of fingerprints for gender determination SO JOURNAL OF FORENSIC SCIENCES LA English DT Article DE forensic science; fingerprints; chemical characterization; gas chromatography/mass spectrometry AB This work investigates the chemical nature of fingerprints to ascertain whether differences in chemical composition or the existence of chemical markers can be used to determine personal traits, such as age, gender, and personal habits. This type of information could be useful for reducing the pool of potential suspects in criminal investigations when latent fingerprints are unsuitable for comparison by traditional methods. Fingertip residue that has been deposited onto a bead was extracted with a solvent such as chloroform. Samples were analyzed by gas chromatography/mass spectrometry (GC/MS). The chemical components identified include fatty acids, long chain fatty acid esters, cholesterol and squalene. The area ratios of ten selected components relative to squalene were calculated for a small preliminary experiment that showed a slight gender difference for three of these components. However, when the experiment was repeated with a larger, statistically designed experiment no significant differences between genders were detected for any of the component ratios. The multivariate Hotelling's T-2 test that tested all ten-component ratios simultaneously also showed no gender differences at the 5% significance level. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Asano, KG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd,Bldg 5510,MS 6365, Oak Ridge, TN 37831 USA. RI Asano, Keiji/L-3164-2016 OI Asano, Keiji/0000-0003-2254-3586 NR 5 TC 42 Z9 44 U1 3 U2 37 PU AMER SOC TESTING MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DR, W CONSHOHOCKEN, PA 19428-2959 USA SN 0022-1198 J9 J FORENSIC SCI JI J. Forensic Sci. PD JUL PY 2002 VL 47 IS 4 BP 805 EP 807 PG 3 WC Medicine, Legal SC Legal Medicine GA 572MW UT WOS:000176779800009 PM 12136987 ER PT J AU Naftz, DL Susong, DD Schuster, PF Cecil, LD Dettinger, MD Michel, RL Kendall, C AF Naftz, DL Susong, DD Schuster, PF Cecil, LD Dettinger, MD Michel, RL Kendall, C TI Ice core evidence of rapid air temperature increases since 1960 in alpine areas of the Wind River Range, Wyoming, United States SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE climate change; glaciology; Wind River Range; Wyoming; stable isotopes ID CENTRAL NORTH-AMERICA; UPPER FREMONT GLACIER; CLIMATE-CHANGE; RECORD; PRECIPITATION; GREENLAND; DELTA-O-18; MOUNTAINS; USA AB [1] Site-specific transfer functions relating delta oxygen 18 (delta(18)O) values in snow to the average air temperature (T(A)) during storms on Upper Fremont Glacier (UFG) were used in conjunction with delta(18)O records from UFG ice cores to reconstruct long-term trends in air temperature from alpine areas in the Wind River Range, Wyoming. Transfer functions were determined by using data collected from four seasonal snowpacks (1989-1990, 19971998, 1998-1999, and 1999-2000). The timing and amount of each storm was determined from an automated snowpack telemetry (SNOTEL) site, 22 km northeast of UFG, and similar to 1060 m in elevation below UFG. Statistically significant and positive correlations between delta(18)O values in the snow and T(A) were consistently found in three of the four seasonal snowpacks. The snowpack with the poor correlation was deposited in 1997-1998 during the 1997-1998 El Nino Southern Oscillation (ENSO). An ultrasonic snow-depth sensor installed on UFG provided valuable insights into site-specific storms and postdepositional processes that occur on UFG. The timing of storms recorded at the UFG and Cold Springs SNOTEL sites were similar; however, selected storms did not correlate. Snow from storms occurring after mid-October and followed by high winds was most susceptible to redeposition of snow. This removal of lower temperature snowfall could potentially bias the delta(18)O values preserved in ice core records to environmental conditions reflecting higher air temperatures and lower wind speeds. Transfer functions derived from seasonal snow cover on UFG were used to reconstruct T(A) values from delta(18)O values determined from two ice cores collected from UFG. Reconstructed air temperatures from the ice core data indicate an increase in T(A) of similar to3.5degreesC from the mid-1960s to the early 1990s in the alpine areas of northwestern Wyoming. Reconstructed T(A) from the ice core records between the end of the Little Ice Age (LIA), mid-1800s, and the early 1990s indicate a T(A) increase of similar to5degreesC. The historically reconstructed T(A) values from the UFG were significantly higher than the global average observed during the 20th Century but were in agreement with T(A) increases observed at selected, high-altitude and high-latitude sites in other parts of the world. Additional research is required to determine if part of the observed trend toward heavier delta(18)O values in ice from the UFG since the LIA (and increased TA) is due to an increased proportion of snowfall from southerly storm tracks and moisture sources, as seems to have been the situation in 1997-1998. C1 US Geol Survey, Salt Lake City, UT 84119 USA. US Geol Survey, Boulder, CO 80303 USA. US Geol Survey, Idaho Falls, ID 83402 USA. US Geol Survey, San Diego, CA 92123 USA. US Geol Survey, Menlo Pk, CA 94025 USA. RP Naftz, DL (reprint author), US Geol Survey, 2329 Orton Circle, Salt Lake City, UT 84119 USA. NR 33 TC 18 Z9 19 U1 1 U2 15 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL PY 2002 VL 107 IS D13 AR 4171 DI 10.1029/2001JD000621 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 610TN UT WOS:000178977100014 ER PT J AU Oglesby, RJ Marshall, S Erickson, DJ Roads, JO Robertson, FR AF Oglesby, RJ Marshall, S Erickson, DJ Roads, JO Robertson, FR TI Thresholds in atmosphere-soil moisture interactions: Results from climate model studies SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE soil moisture; climate predictability; climate modeling; hydrology; precipitation ID GENERAL-CIRCULATION MODEL; UNITED-STATES; SNOW COVER; NORTH-AMERICA; VARIABILITY; DROUGHT; PREDICTION; DISTRIBUTIONS; PRECIPITATION; SIMULATIONS AB [1] The potential predictability of the effects of warm season soil moisture anomalies over the central United States has been investigated in a series of general circulation model (GCM) experiments with the National Center for Atmospheric Research (NCAR) Community Climate Model version 3 Land Surface Model (CCM3/LSM). Three different types of experiments have been developed, all starting in either March (representing precursor conditions) or June (conditions at the onset of the warm season): (1) "anomaly'' runs with large, exaggerated initial soil moisture reductions, aimed at evaluating the physical mechanisms by which soil moisture can affect the atmosphere; (2) "predictability'' runs aimed at evaluating whether typical soil moisture initial anomalies (indicative of year-to-year variability) can have a significant effect, and if so, for how long; and (3) "threshold'' runs aimed at evaluating if a soil moisture anomaly must be of a specific size (i.e., a threshold crossed) before a significant impact on the atmosphere is seen. The anomaly runs show a large, long-lasting response in soil moisture as well as surface temperature, sea level pressure, and precipitation; effects persist for at least a year. The predictability runs, on the other hand, show very little impact of the initial soil moisture anomalies on the subsequent evolution of soil moisture and other atmospheric parameters; internal variability is most important, with the initial state of the atmosphere (representing remote effects such as SST anomalies) playing a more secondary role on seasonal and shorter timescales. The threshold runs, devised to help resolve the dichotomy in anomaly and predictability results, suggest that, at least in CCM3/LSM, the vertical profile of soil moisture is the most important factor and that deep soil zone anomalies exert a more powerful, long-lasting effect than do anomalies in the near-surface soil zone. We therefore suggest that soil moisture feedbacks may be more important in explaining interannual to decadal droughts evident in the historic and recent prehistoric records, but less important on monthly to seasonal timescales. C1 NASA, Global Hydrol & Climate Ctr, George C Marshall Space Flight Ctr, Huntsville, AL 35801 USA. Univ N Carolina, Dept Geog & Earth Sci, Charlotte, NC 28223 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. RP Oglesby, RJ (reprint author), NASA, Global Hydrol & Climate Ctr, George C Marshall Space Flight Ctr, 320 Sparkman Dr, Huntsville, AL 35801 USA. NR 35 TC 28 Z9 28 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0747-7309 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL PY 2002 VL 107 IS D14 AR 4224 DI 10.1029/2001JD001045 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 610TQ UT WOS:000178977300005 ER PT J AU Smith, DA Eack, KB Harlin, J Heavner, MJ Jacobson, AR Massey, RS Shao, XM Wiens, KC AF Smith, DA Eack, KB Harlin, J Heavner, MJ Jacobson, AR Massey, RS Shao, XM Wiens, KC TI The Los Alamos Sferic Array: A research tool for lightning investigations SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article DE lightning; RF; sferic array; FORTE ID TRANSIONOSPHERIC PULSE PAIRS; FORTE OBSERVATIONS; PHENOMENOLOGY; RADIATION; SYSTEM; DISCHARGES; SATELLITE; EMISSIONS; NETWORK; VHF AB [1] Since 1998 the Los Alamos Sferic Array (LASA) has recorded electric field change signals from lightning in support of radio frequency (RF) and optical observations by the Fast On-orbit Recording of Transient Events (FORTE) satellite. By "sferic'' (a colloquial abbreviation for "atmospheric''), we refer to a remote measurement of the transient electric field produced by a lightning flash. LASA consisted of five stations in New Mexico in 1998 and was expanded to 11 stations in New Mexico, Texas, Florida, and Nebraska in 1999. During the 2 years of operation described in this paper, the remote stations acquired triggered 8- or 16-ms duration, 12-bit waveforms and GPS-based sferic time tags 24 hours per day year-round. Source locations were determined daily using differential time of arrival techniques, and the waveforms from all geolocated events were transferred to Los Alamos National Laboratory (LANL), where they have been archived for further analysis, including event classification and characterization. We evaluated LASA location accuracy by comparing temporally coincident (occurring within 100 mus) LASA and National Lightning Detection Network (NLDN) event locations. Approximately one half of the locations agreed to within 2 km, with better agreement for events that occurred within the confines of LASA subarrays in New Mexico and Florida. Of the similar to 900,000 events located by the sferic array in 1998 and 1999, nearly 13,000 produced distinctive narrow bipolar field change pulses resembling those previously identified as intracloud discharges. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Smith, DA (reprint author), Los Alamos Natl Lab, NIS-1,MS D466, Los Alamos, NM 87545 USA. NR 33 TC 60 Z9 65 U1 2 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0747-7309 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL PY 2002 VL 107 IS D13 AR 4183 DI 10.1029/2001JD000502 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 610TN UT WOS:000178977100002 ER PT J AU Duffy, PB Wickett, ME Caldeira, K AF Duffy, PB Wickett, ME Caldeira, K TI Effect of horizontal grid resolution on the near-equilibrium solution of a global ocean-sea ice model SO JOURNAL OF GEOPHYSICAL RESEARCH-OCEANS LA English DT Article DE ocean model; resolution; sea ice model; equilibrium solution ID GENERAL-CIRCULATION; HEAT-TRANSPORT; WORLD OCEAN; SENSITIVITY; SIMULATION; SALT AB [1] We compare the near-equilibrium solution of a global ocean/sea ice model at a horizontal grid resolution of 1degrees x 1degrees to near-equilibrium solutions obtained in two configurations at 4degrees (longitude) x 2degrees (latitude) resolution. All simulations use realistic, smoothed topography and monthly averaged climatological forcings. Our comparison of the results emphasizes large-scale features relevant to global climate change. Since neither the 1degrees x 1degrees simulation nor the 4degrees x 2degrees simulations resolves ocean eddies, our results do not address the possible importance of resolving eddies in ocean-climate simulations. There are significant differences between the 1degrees x 1degrees and 4degrees x 2degrees simulations, most notably in the Arctic Ocean. However, the large-scale features of the model solutions are very similar at the two resolutions and in many cases are more sensitive to a large difference in horizontal viscosity than to the difference in resolution. This suggests that other approaches to improving the solution of ocean-climate models will be more effective than increases in horizontal resolution outside the eddy-resolving regime. C1 Lawrence Livermore Natl Lab, Climate Syst Modeling Grp, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Duffy, PB (reprint author), Lawrence Livermore Natl Lab, Climate Syst Modeling Grp, L-103,POB 808,7000 East Ave, Livermore, CA 94550 USA. EM pduffy@llnl.gov RI Caldeira, Ken/E-7914-2011 NR 25 TC 5 Z9 5 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-OCEANS JI J. Geophys. Res.-Oceans PD JUL PY 2002 VL 107 IS C7 AR 3075 DI 10.1029/2000JC000658 PG 11 WC Oceanography SC Oceanography GA 611AR UT WOS:000178994700011 ER PT J AU Birn, J Schindler, K AF Birn, J Schindler, K TI Thin current sheets in the magnetotail and the loss of equilibrium SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE current sheet; substorm onset; growth phase; catastrophe; equilibrium ID NEAR-EARTH MAGNETOTAIL; GROWTH-PHASE; MAGNETOSPHERIC SUBSTORMS; CONFIGURATIONS; CONVECTION; ONSET AB [1] Using two-dimensional magnetohydrostatic equilibium theory, together with flux, entropy, and topology conservation, we demonstrate that a finite boundary deformation of magnetotail equilibria can lead to locally infinite current density enhancement, that is, the formation of a singular current sheet. Equilibrium configurations that satisfy the constraints cease to exist when the boundary deformation exceeds the critical value. This provides a strong argument for the onset of instability or the loss of equilibrium, regardless of the dissipation mechanism. The major feature causing the current density increase appears to be the localized increase of the boundary flaring angle, rather than the absolute magnitude of the boundary deformation. Such boundary perturbations might be caused by a solar wind pressure variation or suitable changes of the boundary electric field. Catastrophe points can be reached even for relatively small perturbations of the boundary. In those cases the excess energy associated with the thin current sheet is small. Nevertheless, a major disruption may be triggered when the underlying configuration becomes unstable upon the local breakdown of ideal MHD. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ruhr Univ Bochum, Inst Theoret Phys 4, D-44780 Bochum, Germany. RP Birn, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 24 TC 40 Z9 41 U1 1 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUL PY 2002 VL 107 IS A7 AR 1117 DI 10.1029/2001JA000291 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 610VQ UT WOS:000178982500033 ER PT J AU Neagu, E Borovsky, JE Thomsen, MF Gary, SP Baumjohann, W Treumann, RA AF Neagu, E Borovsky, JE Thomsen, MF Gary, SP Baumjohann, W Treumann, RA TI Statistical survey of magnetic field and ion velocity fluctuations in the near-Earth plasma sheet: Active Magnetospheric Particle Trace Explorers Ion Release Module (AMPTE IRM) measurements SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article DE magnetotail; plasma sheet; fluctuations; geomagnetic activity ID SUPERPOSED EPOCH ANALYSIS; NEUTRAL SHEET; SOLAR-WIND; SUBSTORM; FLOWS; TAIL; MAGNETOMETER; TURBULENCE; LAYER AB [1] Low-frequency magnetic field and ion velocity fluctuations in the plasma sheet of Earth's magnetotail are surveyed using data from Active Magnetospheric Particle Trace Explorers/Ion Release Module (AMPTE/IRM) tail passes in 1985 and 1986. The data is divided into 259 ten-minute-long intervals, and the velocity and field fluctuation amplitudes and plasma parameters are determined for each interval. There is no significant dependence of the amplitude of the fluctuations on either the down-tail distance or the distance from the neutral sheet. The amplitudes of both the field and velocity fluctuations are positively correlated with the level of geomagnetic activity as measured by the AE index. The strongest correlation is between the fluctuating velocities and the average ion velocities. These results suggest that geomagnetic activity is the global source of enhanced field and velocity fluctuations observed in the plasma sheet and that velocity shear instabilitiesmay be the proximate cause of these fluctuations. C1 Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. OAW, Inst Weltraumforsch, Graz, Austria. RP Neagu, E (reprint author), Los Alamos Natl Lab, Space & Atmospher Sci Grp, Mail Stop D466,Grp NIS-1 SM-30,Bikini Atoll Rd, Los Alamos, NM 87545 USA. RI Baumjohann, Wolfgang/A-1012-2010 OI Baumjohann, Wolfgang/0000-0001-6271-0110 NR 34 TC 23 Z9 24 U1 1 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUL PY 2002 VL 107 IS A7 AR 1098 DI 10.1029/2001JA000318 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 610VQ UT WOS:000178982500052 ER PT J AU Wright, AN Allan, W Ruderman, MS Elphic, RC AF Wright, AN Allan, W Ruderman, MS Elphic, RC TI The dynamics of current carriers in standing Alfven waves: Parallel electric fields in the auroral acceleration region SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID LINE RESONANCES; DIPOLAR MAGNETOSPHERE; ELECTROSTATIC SHOCKS; PONDEROMOTIVE FORCE; GEOMAGNETIC-FIELD; PLASMA; LAYERS; ARCS; ZONE AB [1] The acceleration of current carriers in an Alfven wave current system is considered. The model incorporates a dipole magnetic field geometry, and we present an analytical solution of the two-fluid equations by successive approximations. The leading solution corresponds to the familiar single-fluid toroidal oscillations. The next order describes the nonlinear dynamics of electrons responsible for carrying a few muAm(-2) field aligned current into the ionosphere. The solution shows how most of the electron acceleration in the magnetosphere occurs within 1 R(E) of the ionosphere, and that a parallel electric field of the order of 1 mV m(-1) is responsible for energising the electrons to 1 keV. The limitations of the electron fluid approximation are considered, and a qualitative solution including electron beams and a modified E(parallel to) is developed in accord with observations. We find that the electron acceleration can be nonlinear, (nu(eparallel to)del(parallel to))nu(eparallel to) > omeganu(eparallel to), as a result of our nonuniform equilibrium field geometry even when nu(eparallel to) is less than the Alfven speed. Our calculation also elucidates the processes through which E(parallel to) is generated and supported. C1 Univ St Andrews, Inst Math, St Andrews KY16 9SS, Fife, Scotland. Natl Inst Water & Atmospher Res, Wellington, New Zealand. Univ Sheffield, Dept Appl Math, Sheffield S3 7RH, S Yorkshire, England. Los Alamos Natl Lab, Space & Atmospher Sci Grp, Los Alamos, NM 87545 USA. RP Wright, AN (reprint author), Univ St Andrews, Inst Math, St Andrews KY16 9SS, Fife, Scotland. EM andy@mcs.st-and.ac.uk; w.allan@niwa.cri.nz; M.S.Ruderman@sheffield.ac.uk; relphic@lanl.gov NR 42 TC 26 Z9 26 U1 0 U2 0 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD JUL PY 2002 VL 107 IS A7 AR 1120 DI 10.1029/2001JA900168 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 610VQ UT WOS:000178982500030 ER PT J AU McEntire, RS Folkman, SL Hansen, NR AF McEntire, RS Folkman, SL Hansen, NR TI Rigid-body trajectory reconstruction SO JOURNAL OF GUIDANCE CONTROL AND DYNAMICS LA English DT Article C1 Sandia Natl Labs, Firing Set & Opt Engn Dept, Albuquerque, NM 87185 USA. Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. Sandia Natl Labs, Adv Syst Dept, Albuquerque, NM 87185 USA. RP McEntire, RS (reprint author), Sandia Natl Labs, Firing Set & Opt Engn Dept, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 0 Z9 0 U1 0 U2 1 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091 USA SN 0731-5090 J9 J GUID CONTROL DYNAM JI J. Guid. Control Dyn. PD JUL-AUG PY 2002 VL 25 IS 4 BP 824 EP 826 DI 10.2514/2.4953 PG 3 WC Engineering, Aerospace; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 571WP UT WOS:000176742400027 ER PT J AU Rosen, HR Ribeiro, RR Weinberger, L Wolf, S Chung, MJ Gretch, DR Perelson, AS AF Rosen, HR Ribeiro, RR Weinberger, L Wolf, S Chung, MJ Gretch, DR Perelson, AS TI Early hepatitis C viral kinetics correlate with long-term outcome in patients receiving high dose induction followed by combination interferon and ribavirin therapy SO JOURNAL OF HEPATOLOGY LA English DT Article DE early hepatitis C viral kinetics; long-term outcome; high dose induction; combination interferon and ribavirin therapy ID PLUS RIBAVIRIN; HCV RNA; VIRUS; INFECTION; GENOTYPE-1; CLEARANCE; EFFICACY; DYNAMICS; ALFA AB Background/Aims: The majority of patients with genotype 1 do not respond to interferon (IFN) plus ribavirin. Limited data exist on the use of induction followed by combination therapy. Methods: In this prospective study of 28 patients infected with genotype 1, randomization involved either daily or twice daily high dose IFN for 6 weeks, followed by standard therapy of 3 million units three times a week in combination with ribavirin for an additional 42 weeks. Hepatitis C virus (HCV) RNA was quantitated before and frequently during treatment. Results: The best correlate of response was 3 (the infected cell loss rate). Sixteen patients continued on the study because they had at least a 2 log drop in their HCV RNA levels by week 12; all but one were PCR negative for HCV RNA at 48 weeks, and 14 of these 16, patients continued to be PCR negative at 72 weeks. Both African-Americans in our trial failed to respond to therapy, and differences were evident during the induction phase. Conclusions: This randomized study of induction IFN therapy followed by combination IFN plus ribavirin yielded the highest rate of sustained response (50%) reported to date in chronically HCV-infected patients with genotype 1. The predictive value of the infected cell loss rate needs to be evaluated prospectively in larger studies, particularly in patients receiving pegylated IFN. (C) 2002 European Association for the Study of the Liver. Published by Elsevier Science B.V. All rights reserved. C1 Portland Vet Affairs Med Ctr, Div Gastroenterol Hepatol, Portland, OR 97207 USA. Oregon Hlth Sci Univ, Div Mol Microbiol & Immunol, Portland, OR 97201 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Washington, Viral Hepatitis Lab, Seattle, WA 98195 USA. RP Rosen, HR (reprint author), Portland Vet Affairs Med Ctr, Div Gastroenterol Hepatol, 3710 SW US Vet Hosp,P3-G1, Portland, OR 97207 USA. FU NCRR NIH HHS [5 M01 RR00334, RR06555] NR 26 TC 35 Z9 35 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-8278 J9 J HEPATOL JI J. Hepatol. PD JUL PY 2002 VL 37 IS 1 BP 124 EP 130 AR PII S0168-8278(02)00114-9 DI 10.1016/S0168-8278(02)00114-9 PG 7 WC Gastroenterology & Hepatology SC Gastroenterology & Hepatology GA 573UN UT WOS:000176850100017 PM 12076871 ER PT J AU Aharony, O Fabinger, M Horowitz, GT Silverstein, E AF Aharony, O Fabinger, M Horowitz, GT Silverstein, E TI Clean time-dependent string backgrounds from bubble baths SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE superstrings and heterotic strings; M-theory; supersymmetry breaking; cosmology of theories beyond the SM ID GRAVITATIONAL-WAVE BACKGROUNDS; BLACK-HOLES; SPACETIME SINGULARITIES; SUPERSTRING THEORY; P-BRANES; SUPERSYMMETRY; PROPAGATION; INSTABILITY; STABILITY AB We consider the set of controlled time-dependent backgrounds of general relativity and string theory describing bubbles of nothing, obtained via double analytic continuation of black hole solutions. We analyze their quantum stability, uncover some novel features of their dynamics, identify their causal structure and observables, and compute their particle production spectrum. We present a general relation between squeezed states, such as those arising in cosmological particle creation, and nonlocal theories on the string worldsheet. The bubble backgrounds have various aspects in common with de Sitter space, Rindler space, and moving mirror systems, but constitute controlled solutions of general relativity and string theory with no external forces. They provide a useful theoretical laboratory for studying issues of observables in systems with cosmological horizons, particle creation, and time-dependent string perturbation theory. C1 Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, SLAC, Stanford, CA 94305 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. RP Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel. EM ofer.aharony@weizmann.ac.il; fabinger@stanford.edu; gary@cosmic.physics.ucsb.edu; evas@slac.stanford.edu NR 70 TC 73 Z9 73 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL PY 2002 IS 7 AR 007 PG 35 WC Physics, Particles & Fields SC Physics GA 610TA UT WOS:000178975800007 ER PT J AU Hellerman, S Kachru, S Lawrence, A McGreevy, J AF Hellerman, S Kachru, S Lawrence, A McGreevy, J TI Linear sigma models for open strings SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE D-branes; superstring vacua ID CALABI-YAU MANIFOLDS; D-BRANES; MIRROR SYMMETRY; TOPOLOGY CHANGE; MODULI SPACE; SUPERSYMMETRY; INSTANTONS; SHEAVES; COMPACTIFICATIONS AB We formulate and study a class of massive N=2 supersymmetric gauge field theories coupled to boundary degrees of freedom on the strip. For some values of the parameters, the infrared limits of these theories can be interpreted as open string sigma models describing D-branes in large-radius Calabi-Yau compactifications. For other values of the parameters, these theories flow to CFTs describing branes in more exotic, non-geometric phases of the Calabi-Yau moduli space such a the Landau-Ginzburg orbifold phase. Some simple properties of the branes (like large radius monodromies and spectra of worldvolume excitations) can be computed in our model. We also provide simple worldsheet models of the transitions which occur at loci of marginal stability, and of Higgs-Coulomb transitions. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. SLAC Theory Grp, Stanford, CA 94309 USA. RP Hellerman, S (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM simeon@slac.stanford.edu; skachru@leland.stanford.edu; lbion.lawrence@stanford.edu; mcgreevy@stanford.edu NR 72 TC 20 Z9 20 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL PY 2002 IS 7 AR 002 PG 43 WC Physics, Particles & Fields SC Physics GA 610TA UT WOS:000178975800002 ER PT J AU Aronchik, I Behne, MJ Crumrine, D Bench, G Elias, PM Epstein, E Mauro, TM AF Aronchik, I Behne, MJ Crumrine, D Bench, G Elias, PM Epstein, E Mauro, TM TI Defective cell-to-cell adhesion in Hailey-Hailey disease is aggravated by environmental factors associated with increased IL-1 and TNF levels SO JOURNAL OF INVESTIGATIVE DERMATOLOGY LA English DT Meeting Abstract C1 Vet Affairs Med Ctr, San Francisco, CA 94121 USA. UCSF, San Francisco, CA USA. Lawrence Livermore Natl Lab, Ctr Acc Mass Spect, Livermore, CA USA. SF Gen Hosp, San Francisco, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU BLACKWELL PUBLISHING INC PI MALDEN PA 350 MAIN ST, MALDEN, MA 02148 USA SN 0022-202X J9 J INVEST DERMATOL JI J. Invest. Dermatol. PD JUL PY 2002 VL 119 IS 1 MA 136 BP 230 EP 230 PN 2 PG 1 WC Dermatology SC Dermatology GA 583UG UT WOS:000177428100138 ER PT J AU Behne, MJ Aronchik, I Bench, G Epstein, E Pozzan, T Mauro, TM AF Behne, MJ Aronchik, I Bench, G Epstein, E Pozzan, T Mauro, TM TI Human ATP2C1 localizes to the golgi in keratinocytes and controls Golgi Ca2+ stores SO JOURNAL OF INVESTIGATIVE DERMATOLOGY LA English DT Meeting Abstract C1 UCSF, San Francisco, CA USA. Vet Affairs Med Ctr, San Francisco, CA 94121 USA. SF Gen Hosp, San Francisco, CA USA. Lawrence Livermore Natl Lab, Ctr Acc Mass Spec, Livermore, CA USA. Univ Padua, Padua, Italy. NR 0 TC 1 Z9 1 U1 0 U2 0 PU BLACKWELL PUBLISHING INC PI MALDEN PA 350 MAIN ST, MALDEN, MA 02148 USA SN 0022-202X J9 J INVEST DERMATOL JI J. Invest. Dermatol. PD JUL PY 2002 VL 119 IS 1 MA 135 BP 230 EP 230 PN 2 PG 1 WC Dermatology SC Dermatology GA 583UG UT WOS:000177428100135 ER PT J AU Bakke, T Sullivan, CT Mukherjee, SD AF Bakke, T Sullivan, CT Mukherjee, SD TI Polymeric optical spot-size transformer with vertical and lateral tapers SO JOURNAL OF LIGHTWAVE TECHNOLOGY LA English DT Article DE coupled local mode theory; polymeric waveguides; spot-size transformer ID WAVE-GUIDES; MODE SIZE; FIBER; DEVICES AB The design, fabrication, and characterization of a polymeric optical spot-size transformer with vertical and lateral tapers is reported. The vertical taper is I formed by utilizing the planarization properties of a polymer, while the lateral taper is defined by photolithography. An optimization method for the taper shape is described based on fundamental results from coupled local mode theory. A total fiber to waveguide insertion loss of 0.6 dB has been measured with the integration of the transformer, an improvement of 2.1 dB. The spatial alignment tolerance for 1 dB excess loss was measured to +/-2.7 mum, consistent with theory. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Norwegian Univ Sci & Technol, Dept Phys Elect, N-7491 Trondheim, Norway. Linkoping Univ, SE-60174 Norrkoping, Sweden. RP Bakke, T (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 15 TC 22 Z9 22 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 0733-8724 J9 J LIGHTWAVE TECHNOL JI J. Lightwave Technol. PD JUL PY 2002 VL 20 IS 7 BP 1188 EP 1197 DI 10.1109/JLT.2002.800373 PG 10 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA 586GR UT WOS:000177576700015 ER PT J AU Hadley, GR AF Hadley, GR TI High. accuracy finite-difference equations for dielectric waveguide analysis I: Uniform regions and dielectric interfaces SO JOURNAL OF LIGHTWAVE TECHNOLOGY LA English DT Article DE dielectric; eigenmode; finite-difference; Helmholtz; interfaces; waveguide ID BEAM-PROPAGATION; WAVE-GUIDES AB A methodology is presented that allows the derivation of low-truncation-error finite-difference representations of the two-dimensional Helmholtz equation, specific to waveguide analysis. This methodology is derived from the formal infinite series solution involving Bessel functions and sines and cosines. The resulting finite-difference equations are valid everywhere except at dielectric corners, and are highly accurate (from fourth to sixth order, depending on the type of grid employed). Nonetheless, they utilize only a nine-point stencil, and thus lead to only minor increases in numerical effort compared with the standard Crank-Nicolson equations. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hadley, GR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 9 TC 49 Z9 49 U1 1 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 0733-8724 J9 J LIGHTWAVE TECHNOL JI J. Lightwave Technol. PD JUL PY 2002 VL 20 IS 7 BP 1210 EP 1218 DI 10.1109/JLT.2002.800361 PG 9 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA 586GR UT WOS:000177576700018 ER PT J AU Hadley, GR AF Hadley, GR TI High-accuracy finite-difference equations for dielectric waveguide analysis II: Dielectric corners SO JOURNAL OF LIGHTWAVE TECHNOLOGY LA English DT Article DE corners; dielectric; eigenmode; finite-difference; Helmholtz; waveguide ID OPTICAL WAVE-GUIDES; ELEMENTS AB We present a discussion of the behavior of the electric and magnetic fields satisfying the two-dimensional Helmholtz equation for waveguides in the vicinity of a dielectric corner. Although certain components of the electric field have long been known to be infinite at the corner, it is shown that all components of the magnetic field are finite, and that finite-difference equations may be derived for these fields that satisfy correct boundary conditions at the corner. These finite-difference equations have been combined with those derived in the previous paper to form a full-vector waveguide solution algorithm of unprecedented accuracy. This algorithm is employed to provide highly accurate solutions for the fundamental modes of a previously studied standard rib waveguide structure. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hadley, GR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 18 TC 64 Z9 64 U1 0 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017-2394 USA SN 0733-8724 J9 J LIGHTWAVE TECHNOL JI J. Lightwave Technol. PD JUL PY 2002 VL 20 IS 7 BP 1219 EP 1231 DI 10.1109/JLT.2002.800371 PG 13 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA 586GR UT WOS:000177576700019 ER PT J AU Berneis, K La Belle, M Blanche, PJ Krauss, RM AF Berneis, K La Belle, M Blanche, PJ Krauss, RM TI Analysis and quantitation of biotinylated apoB-containing lipoproteins with streptavidin-Cy3 SO JOURNAL OF LIPID RESEARCH LA English DT Article DE fluorophor; LDL; apolipoproteinB; gradient gel electrophoresis ID LOW-DENSITY LIPOPROTEINS; CHARGE-COUPLED-DEVICE; POLYACRYLAMIDE GELS; PROTEINS; ELECTROPHORESIS; PLASMA; HETEROGENEITY; INTERMEDIATE; PATTERNS; RECEPTOR AB Non denaturing gradient gel. electrophoresis (GGE) is commonly used to analyze the size distribution of lipoprotein particles. Its relatively low sensitivity and linear dynamic range limit use of GGE to quantify protein content of lipoproteins. We demonstrate a new high sensitivity method for analysis and quantitation of biotinylated apolipoprotein B (apoB)-containing lipoproteins using a fluorescent streptavidin-Cy3 conjugate and non covalent preelectrophoretic binding. Forty-four lipoprotein subfractions spanning the VLDL and LDL particle spectrum subfractions (I I each from four human subjects) were prepared by density gradient ultracentrifugation. An aliquot of each sample was biotinylated and GGE was performed. Gels also were stained for lipid with Oil Red 0 (32 samples) and for protein with Coomassie Brilliant Blue (30 samples). There was a significant relationship between the Cy3 fluorescent label area under the curve and the mass of apoB (P < 0.02-0.004) and total cholesterol (P < 0.03-0.004). Particle diameters of each absorbence/fluorescent peak were comparable between Oil-Red O and streptavidin-Cy3 treated biotinylated lipoproteins (+/-3.54 Angstrom, P = 0.3). Biotinylation and prestaining of lipoprotein particle with streptavidin-Cy3 provides a new fluorescence-based method for detection and quantitative analysis of lipoprotein subspecies by gradient gel electrophoresis. Analysis and quantitation of biotinylated apoB-containing lipoproteins with Cy3-streptavidin. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Donner Lab, Berkeley, CA 94720 USA. RP Krauss, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Donner Lab, Berkeley, CA 94720 USA. FU NHLBI NIH HHS [HL18574] NR 25 TC 3 Z9 3 U1 0 U2 3 PU LIPID RESEARCH INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0022-2275 J9 J LIPID RES JI J. Lipid Res. PD JUL PY 2002 VL 43 IS 7 BP 1155 EP 1159 DI 10.1194/jlr.D100337-JLR200 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 574DL UT WOS:000176873100020 PM 12091501 ER PT J AU Walsh, RJ Reinot, T Hayes, JM Kalli, KR Hartmann, LC Small, GJ AF Walsh, RJ Reinot, T Hayes, JM Kalli, KR Hartmann, LC Small, GJ TI Nonphotochemical hole burning spectroscopy of a mitochondrial selective rhodamine dye molecule in normal and cancerous ovarian surface epithelial cells SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 7th International Meeting on Hold Burning, Single Molecule, and Related Spectroscopies CY NOV 18-23, 2001 CL TAIPEI, TAIWAN DE hole burning; stark effects; mitochondria; carcinoma; membrane potential ID ALUMINUM PHTHALOCYANINE TETRASULFONATE; HYPERQUENCHED GLASSY WATER; CARCINOMA-CELLS; AL-PHTHALOCYANINE; RETENTION AB Results are presented of nonphotochemical hole burning experiments on the mitochondrial dye rhodamine 800 (MitoFluor Far Red 680, Molecular Probes) incubated with two human ovarian surface epithelial cell lines: OSE(tsT)-14 normal cells and OV167 carcinoma (cancer) cells, This dye is believed to be selective for the plasma and inner membranes of the mitochondria. Importantly, the dispersive (distributed) growth kinetics of zero-phonon holes were found to be significantly different with the OV167 line exhibiting the higher burn efficiency. This may reflect greater structural heterogeneity of that line, Equally interesting is that the permanent dipole moment change (Deltamu) for the S-0-->S-1 transition of the dye is markedly different for the two cell lines. the Deltamu value for the carcinoma cell line being a factor of 1,5 higher. Discussion of this finding in terms of membrane potentials is given, (C) 2002 Published by Elsevier Science B.V. C1 Iowa State Univ Sci & Technol, Ames Lab, US DOE, Dept Chem, Ames, IA 50011 USA. Mayo Clin & Mayo Fdn, Endocrine Res Unit, Dept Internal Med, Rochester, MN 55905 USA. Mayo Clin & Mayo Fdn, Dept Oncol, Div Med Oncol, Rochester, MN 55905 USA. RP Small, GJ (reprint author), Iowa State Univ Sci & Technol, Ames Lab, US DOE, Dept Chem, Ames, IA 50011 USA. NR 21 TC 8 Z9 8 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD JUL PY 2002 VL 98 IS 1-4 BP 115 EP 121 AR PII S0022-2313(02)00259-4 DI 10.1016/S0022-2313(02)00259-4 PG 7 WC Optics SC Optics GA 576TQ UT WOS:000177021700017 ER PT J AU Zazubovich, V Jankowiak, R Small, GJ AF Zazubovich, V Jankowiak, R Small, GJ TI On B800 -> B800 energy transfer in the LH2 complex of purple bacteria SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 7th International Meeting on Hold Burning, Single Molecule, and Related Spectroscopies CY NOV 18-23, 2001 CL TAIPEI, TAIWAN DE light-harvesting complex; non-photochemical hole burning; high pressure; energy transfer ID RHODOPSEUDOMONAS-ACIDOPHILA STRAIN-10050; ANTENNA COMPLEX; LEVEL STRUCTURE; CYCLIC ARRAYS; HIGH-PRESSURE; DISORDER; BACTERIOCHLOROPHYLL; DYNAMICS; TEMPERATURE; ABSORPTION AB The B800 Q(y)-states of the light harvesting 21 (LH2) photosynthetic complex of purple bacteria exhibit two relaxation channels. One is B800-->B850 excitation energy transfer that occurs in similar to2 ps in low-temperature limit. This channel is dominant for excitation wavelengths located to lower energy of the B800 absorption band maximum. The second "additional" channel sets in for excitation on the high-energy side of the maximum. The mechanism for the additional channel has been controversial. That it is due to relaxation of Bacteriochlorophyll a (Bchl a) vibrational modes has already been excluded, This left intra-band B800-->B800 energy transfer and relaxation of mixed B800-B850 exciton levels as possible mechanisms. High-pressure hole burning results for LH2 of Rhodopseudomonas acidophila are presented, which, together with excitonic calculations, indicate that the latter mechanism is relatively unimportant. Intra-band B800-->B800 excitation energy transfer is considered from a probabilistic viewpoint, It appears that the B800 zero-phonon hole action spectrum corresponds to those of Bchl a sites on the C-9 ring that cannot undergo downward energy transfer to a nearest-neighbor site. One-third of the sites fall into this category. It is concluded that the additional decay channel is most likely due to above intra-band transfer. (C) 2002 Published by Elsevier Science B.V. C1 Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Small, GJ (reprint author), Iowa State Univ Sci & Technol, Ames Lab, US DOE, Ames, IA 50011 USA. NR 23 TC 19 Z9 19 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD JUL PY 2002 VL 98 IS 1-4 BP 123 EP 129 AR PII S0022-2313(02)00260-0 DI 10.1016/S0022-2313(02)00260-0 PG 7 WC Optics SC Optics GA 576TQ UT WOS:000177021700018 ER PT J AU Hayes, JM Ruehlaender, M Soukoulis, C Small, GJ AF Hayes, JM Ruehlaender, M Soukoulis, C Small, GJ TI Monte Carlo simulation of energy transfer rates: application to downward energy transfer within the 825 nm absorption band of the FMO complex of Prosthechochloris aestuarii SO JOURNAL OF LUMINESCENCE LA English DT Article; Proceedings Paper CT 7th International Meeting on Hold Burning, Single Molecule, and Related Spectroscopies CY NOV 18-23, 2001 CL TAIPEI, TAIWAN DE energy transfer; photosynthesis; FMO complex ID OLSON ANTENNA COMPLEX; PROSTHECOCHLORIS-AESTUARII; OPTICAL-SPECTRA; PROTEIN; BACTERIOCHLOROPHYLL; TRIMER AB Splitting of the individual subunit absorption, of the FMO complex of Prosthechochloris aestuarii due to disorder is determined by Monte Carlo simulation, The simulations accurately reproduce the 825 nm absorption band and indicate an upper limit for the inter-subunit coupling of 10 cm(-1). From the simulations, rates for downward energy transfer between subunits can be determined using the spectral density determined from hole burning (J. Phys. Chem. B 104 (2000) 9564). On average the splitting between adjacent energy levels is similar to 25 cm(-1) and the energy transfer rate for relaxation between such levels is equal, Relaxation from the top to lowest level is significantly slower. This is in contrast with the experimental finding that relaxation from the top to bottom levels occurs at about twice the rate for the other two relaxations. Further, the rates determined do not agree with the observed variation of zero-phonon hole width and photon echo dephasing times with frequency. The possible involvement of Herzberg-Teller-like dark modes with a peak near 50 cm(-1) is discussed. (C) 2002 Elsevier Science B.V. All rights reserved. C1 US DOE, Ames Lab, Ames, IA 50014 USA. Iowa State Univ, Dept Chem, Ames, IA 50014 USA. US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Hayes, JM (reprint author), US DOE, Ames Lab, Ames, IA 50014 USA. RI Soukoulis, Costas/A-5295-2008 NR 16 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 J9 J LUMIN JI J. Lumines. PD JUL PY 2002 VL 98 IS 1-4 BP 249 EP 255 AR PII S0022-2313(02)00277-6 DI 10.1016/S0022-2313(02)00277-6 PG 7 WC Optics SC Optics GA 576TQ UT WOS:000177021700035 ER PT J AU Lim, KH Nguyen, T Mazur, T Wemmer, DE Pines, A AF Lim, KH Nguyen, T Mazur, T Wemmer, DE Pines, A TI Sensitivity enhancement in multiple-quantum NMR experiments with CPMG detection SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article ID SOLID-STATE NMR; EXCITATION; DYNAMICS AB We present a modified multiple-quantum (MQ) experiment, which implements the Carr-Purcell-Meiboom-Gill (CPMG) detection scheme in the static MQ NMR experiment proposed by W. S. Warren et al. (1980, J. Chem. Phys. 73, 2084-2099) and exploited further by O. N. Antzutkin and R. Tycko (1999, J. Chem. Phys. 110, 2749-2752). It is demonstrated that a significant enhancement in the sensitivity can be achieved by acquiring echo trains in the MQ experiments for static powder samples. The modified scheme employing the CPMG detection was superior to the original MQ experiment, in particular for the carbonyl carbon with a very large chemical shift anisotropy. (C) 2002 Elsevier Science (USA). C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Wemmer, DE (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. FU NIA NIH HHS [AG10770] NR 12 TC 15 Z9 15 U1 0 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD JUL PY 2002 VL 157 IS 1 BP 160 EP 162 DI 10.1006/jmre.2002.2578 PG 3 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 589DH UT WOS:000177742400019 PM 12202146 ER PT J AU Havlin, RH Park, GHJ Pines, A AF Havlin, RH Park, GHJ Pines, A TI Two-dimensional NMR correlations of liquid crystals using switched angle spinning SO JOURNAL OF MAGNETIC RESONANCE LA English DT Article DE liquid crystal; switched angle spinning; SAS; dipolar coupling ID DIPOLAR COUPLINGS; MAGNETIC-RESONANCE; COHERENT REDUCTION; MOLECULES; SPECTROSCOPY; BIOMOLECULES; DIRECTOR; FIELD; DISTANCES; DYNAMICS AB We present the first application of switched angle spinning (SAS) to correlate the first-order dipolar spectrum of a liquid crystalline sample with the isotropic magic angle spinning (MAS) spectrum in a two-dimensional experiment. In this experiment we are able to select the degree of dipolar couplings introduced via mechanical manipulations of the liquid crystal director in a single oriented sample. The F-19 SAS-COSY correlation of iodotrifluoroethylene, an AMX spin system, dissolved in the nematic liquid crystal 4-octylphenyl-2-chloro-4-(4-heptylbenzoyloxy)-benzoate provides assignment of both the J and dipolar couplings in a single experiment. This work demonstrates the use of oriented samples and sample spinning to resolve hornonuclear dipolar couplings using isotropic chemical shifts. (C) 2002 Elsevier Science (USA). C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Pines, A (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. NR 28 TC 11 Z9 11 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 1090-7807 J9 J MAGN RESON JI J. Magn. Reson. PD JUL PY 2002 VL 157 IS 1 BP 163 EP 169 DI 10.1006/jmre.2002.2571 PG 7 WC Biochemical Research Methods; Physics, Atomic, Molecular & Chemical; Spectroscopy SC Biochemistry & Molecular Biology; Physics; Spectroscopy GA 589DH UT WOS:000177742400020 PM 12202147 ER PT J AU Kmety, CR Manson, JL McCall, S Crow, JE Stevenson, KL Epstein, AJ AF Kmety, CR Manson, JL McCall, S Crow, JE Stevenson, KL Epstein, AJ TI Low-temperature specific heat of the molecule-based magnet M[N(CN)(2)](2) (M = Co, Ni, Cu, Zn) series SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article DE transition metal magnetism; magnetic anisotropy; crystal fields dicyanamide; structural phases ID PHASE-TRANSITIONS; DICYANAMIDE ANION; M-II(2); FERROMAGNETISM; (N(CN)(2))(-); M(DCA)(2); N(CN)(2) AB We report the specific heat as a function of temperature in zero applied magnetic field for three magnetic systems (alpha-Co[N(CN)(2)](2), beta-Co[N(CN)(2)](2), Ni[N(CN)(2)](2)) and two nonmagnetic systems (Cu[N(CN)(2)](2), Zn[N(CN)(2)](2)). The aromalies revealed by the magnetic contribution to the specific heat are associated with the onset of long-range order. The transition entropies imply that the magnetic ordering originates from a ground-state doublet (J = 1/2) for the Co2+ systems and a ground-state triplet (J = 1) for the Ni2+ system. In addition, we extract and compare the exchange couplings J using several theoretical models: interacting spin waves, high-temperature series expansions, total magnetic energy and mean field. The J-values and the Ising-like anisotropy obtained here, are in quantitative agreement with earlier magnetization and neutron diffraction results. The comparison of the zero-field and in-field (8 T) specific heat of the Cu2+ system (J = 1/2) demonstrates the previously unknown ferromagnetic order at very low temperature (less than or equal to 1.7 K). (C) 2002 Elsevier Science B.V. All rights reserved. C1 Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. Indiana Univ Purdue Univ, Dept Chem, Ft Wayne, IN 46805 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP Kmety, CR (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 NR 38 TC 20 Z9 20 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JUL PY 2002 VL 248 IS 1 BP 52 EP 61 AR PII S0304-8853(02)00174-9 DI 10.1016/S0304-8853(02)00174-9 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 571QF UT WOS:000176727600007 ER PT J AU Blomqvist, P Wappling, R Broddefalk, A Nordblad, P te Velthuis, SGE Felcher, GP AF Blomqvist, P Wappling, R Broddefalk, A Nordblad, P te Velthuis, SGE Felcher, GP TI Structural and magnetic properties of BCCFe/Co (001) superlattices SO JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS LA English DT Article ID BCC CO/FE SUPERLATTICES; EPITAXIAL-GROWTH; FILMS; ANISOTROPY; CO; MULTILAYERS; INTERFACE; COBALT; BEHAVIOR; MOMENTS AB In thin layered Fe/Co (001), grown on MgO (001), both Fe and Co crystallize in the body-centered cubic (BCC) structure, as seen in a series of superlattices where the layer thickness of the components is varied from two to twelve atomic monolayers. These superlattices have novel magnetic properties as observed by magnetization and polarized neutron reflectivity measurements. There is a significant enhancement of the magnetic moments of both Fe and Co at the interfaces. Furthermore, the easy axis of the system changes from [100] for films of low cobalt content to [110] for a Co content exceeding 33%. No indication of a uniaxial anisotropy component is found in any of the samples. The first anisotropy constant (K-1) of BCC Co is found to be negative with an estimated magnitude of 110 kJ/m(3) at 10 K. In all cases, the magnetic moments of Fe and Co have parallel alignment. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Mat Sci, S-75121 Uppsala, Sweden. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Wappling, R (reprint author), Univ Uppsala, Dept Phys, Box 530, S-75121 Uppsala, Sweden. RI Nordblad, Per/A-5941-2013; te Velthuis, Suzanne/I-6735-2013 OI Nordblad, Per/0000-0002-4561-9996; te Velthuis, Suzanne/0000-0002-1023-8384 NR 31 TC 19 Z9 19 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-8853 J9 J MAGN MAGN MATER JI J. Magn. Magn. Mater. PD JUL PY 2002 VL 248 IS 1 BP 75 EP 84 AR PII S0304-8853(02)00185-3 DI 10.1016/S0304-8853(02)00185-3 PG 10 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 571QF UT WOS:000176727600010 ER PT J AU Schuh, CA Nieh, TG Kawamura, Y AF Schuh, CA Nieh, TG Kawamura, Y TI Rate dependence of serrated flow during nanoindentation of a bulk metallic glass SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID DEFORMATION MECHANISMS; PLASTIC-DEFORMATION; INDENTATION; STRAIN; COMPOSITE; FRACTURE; ALLOY AB Plastic deformation of Pd-40Ni-20P bulk metallic glass (BMG) was investigated by instrumented nanoindentation experiments over a broad range of indentation strain rates. At low rates, the load-displacement curves during indentation exhibited numerous serrations or pop-ins, but these serrations became less prominent as the indentation rate was increased. Using the tip velocity during pop-in as a gauge of serration activity, we found that serrated flow is only significant at indentation strain rates below about 1-10/s. This result suggests a transition in plastic flow behavior at high strain rates, in agreement with prior studies of BMGs under different modes of loading. C1 Lawrence Livermore Natl Lab, Div Mat Sci & Technol, Livermore, CA 94550 USA. Kumamoto Univ, Fac Engn, Dept Mech Engn & Mat Sci, Kumamoto 860, Japan. RP Schuh, CA (reprint author), Lawrence Livermore Natl Lab, Div Mat Sci & Technol, POB 5508, Livermore, CA 94550 USA. RI Schuh, Christopher/C-7947-2009; Nieh, Tai-Gang/G-5912-2011 OI Nieh, Tai-Gang/0000-0002-2814-3746 NR 23 TC 89 Z9 93 U1 4 U2 35 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JUL PY 2002 VL 17 IS 7 BP 1651 EP 1654 DI 10.1557/JMR.2002.0243 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 569TA UT WOS:000176617300013 ER PT J AU Dawley, JT Ong, RJ Clem, PG AF Dawley, JT Ong, RJ Clem, PG TI Chemical solution deposition of < 100 >-oriented SrTiO3 buffer layers on Ni substrates SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID LEAD-ZIRCONATE-TITANATE; YBCO COATED CONDUCTORS; THIN-FILMS; SUPERCONDUCTING TAPES; YBA2CU3O7-DELTA FILMS; ELECTRICAL-PROPERTIES; SOLUTION PRECURSOR; CRITICAL CURRENTS; EPITAXIAL-GROWTH; GRAIN-BOUNDARIES AB Biaxially textured <100>-oriented SrTiO3 films were solution deposited on <100> LaAlO3 single crystals and <100>-oriented polycrystalline Ni tapes. Solution variables including varying titanium alkoxide chain length, inclusion of chelating agents, and inclusion of donor dopant, were investigated for their effect on film orientation, morphology, and oxygen diffusivity. The best <100> SrTiO3 orientation on high lattice mismatch (11%) Ni substrates was achieved through use of a discontinuous nucleation seed layer, which provided nucleation sites for subsequent continuous SrTiO3 films. Increased titanium alkoxide chain lengths appeared to suppress titanium hydrolysis reactions and improve film orientation. C-13 nuclear magnetic resonance showed that significant quantities of water were generated due to esterification reactions, which appeared to cause hydrolysis and subsequent orientation degradation in the absence of chelating agents such as acetylacetone. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA. RP Dawley, JT (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 54 TC 61 Z9 66 U1 0 U2 16 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JUL PY 2002 VL 17 IS 7 BP 1678 EP 1685 DI 10.1557/JMR.2002.0247 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 569TA UT WOS:000176617300017 ER PT J AU Kang, BW Goyal, A Lee, DR Mathis, JE Specht, ED Martin, PM Kroeger, DM Paranthaman, M Sathyamurthy, S AF Kang, BW Goyal, A Lee, DR Mathis, JE Specht, ED Martin, PM Kroeger, DM Paranthaman, M Sathyamurthy, S TI Comparative study of thickness dependence of critical current density of YBa2Cu3O7-delta on (100) SrTiO3 and on rolling-assisted biaxially textured substrates SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID ELECTRON-BEAM EVAPORATION; THIN-FILMS; BUFFER LAYERS; SUPERCONDUCTING TAPES; DEPOSITION; NI; CONDUCTORS AB We investigated the dependence of critical current density (J(c)) on thickness of YBa2Cu3O7-delta (YBCO) films grown by pulsed laser deposition on (100) SrTiO3 (STO) and on rolling-assisted biaxially textured substrates (RABiTS). The thickness of YBCO films varied from 0.19 to 3 mum. The highest J(c)s of 5.3 and 2.6 MA/cm(2) at 77 K, self-field were obtained for 0.19-mum YBCO films on STO and RABiTS, respectively. J(c) was found to decrease exponentially with YBCO thickness on both substrates. However, the results suggest different mechanisms are responsible for the J(c) reduction in the two cases. On STO, growth of a-axis grains within c-axis films and broadening of the in-plane texture were observed in thick films. On RABiTS, degradation in cube texture as well as development of a porous surface morphology were found to correlate with film thickness. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Chem & Analyt Sci, Oak Ridge, TN 37831 USA. RP Kang, BW (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. RI Specht, Eliot/A-5654-2009; Paranthaman, Mariappan/N-3866-2015 OI Specht, Eliot/0000-0002-3191-2163; Paranthaman, Mariappan/0000-0003-3009-8531 NR 26 TC 66 Z9 67 U1 0 U2 17 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DR, WARRENDALE, PA 15086 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JUL PY 2002 VL 17 IS 7 BP 1750 EP 1757 DI 10.1557/JMR.2002.0259 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 569TA UT WOS:000176617300029 ER PT J AU Wang, LQ Aardahl, CL Rappe, KG Tran, DN Delgado, MA Habeger, CF AF Wang, LQ Aardahl, CL Rappe, KG Tran, DN Delgado, MA Habeger, CF TI Solid-state Al-27 nuclear magnetic resonance investigation of plasma-facilitated NOx reduction catalysts SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID MOLECULAR-SIEVE MCM-41; SELECTIVE REDUCTION; ACTIVE-SITES; MESOPOROUS MATERIALS; NO(X) REDUCTION; ALUMINUM; DECOMPOSITION; HYDROCARBONS; ALUMINATION; STABILITY AB Aluminum coordination distribution for alumina catalysts supported on mesoporous silica was examined. It was shown that aluminum coordination correlates to activity of the catalysts for plasma-enhanced, selective catalytic reduction of NOx with propene. Catalysts were prepared by incorporating aluminum onto the surface of a mesoporous silica support via three different post-synthesis routes to produce varying aluminum coordination. Aluminum trichloride, sodium aluminate, and aluminum isopropoxide precursors were examined. High-resolution, solid state Al-27 nuclear magnetic resonance was used to determine aluminum coordination distributions for the resulting catalysts. Unsaturated aluminum sites (i.e., structural defects) correlated with increased activity at high temperatures while tetrahedrally-coordinated, aluminum or BrOnsted acid sites correlated with activity at low temperatures. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Caterpillar Inc, Tech Ctr E854, Peoria, IL 61656 USA. RP Wang, LQ (reprint author), Pacific NW Natl Lab, Box 999,MS K2-44, Richland, WA 99352 USA. NR 27 TC 4 Z9 4 U1 0 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD JUL PY 2002 VL 17 IS 7 BP 1843 EP 1848 DI 10.1557/JMR.2002.0272 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 569TA UT WOS:000176617300042 ER PT J AU Wereszczak, AA Lin, HT Kirkland, TP Andrews, MJ Lee, SK AF Wereszczak, AA Lin, HT Kirkland, TP Andrews, MJ Lee, SK TI Strength and dynamic fatigue of silicon nitride at intermediate temperatures SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID OXYNITRIDE GLASSES; OXIDATION; BEHAVIOR; CREEP AB The flexure strength distributions and dynamic fatigue of GS44, NT551, and NT154 silicon nitrides were determined at intermediate temperatures (less than or equal to850degreesC) in ambient air. GS44 and NT551 were fabricated by gas pressure sintering and had a larger volume fraction of secondary phase than the hot-isostatically pressed NT154. The inert characteristic strength for the GS44 and NT551 decreased with temperature while that for the NT154 was statistically independent of temperature. The slow crack growth exponent, N, for the GS44 and NT551 exhibited a 70-80% decrease between 700 and 850degreesC while the strength of NT154 was comparatively independent of stressing rate at 850degreesC. Associated with those changes in mechanical performances, the coefficient of thermal expansion (CTE) for the GS44 and NT551 sharply increased between 700 and 850degreesC while that for the NT154 did not. Although the observed change in CTE (and the temperature range where it occurred) did not have any obvious correlation with a change in inert strength at these intermediate temperatures, its presence was an indicator of a threshold temperature where dynamic fatigue resistance was compromised if the temperature exceeded it. The change in material state (and the associated temperature region for which it occurs) is linked to the equilibrium state of the secondary phase in the silicon nitride. (C) 2002 Kluwer Academic Publishers. C1 Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. Caterpillar Inc, Peoria, IL 61656 USA. RP Wereszczak, AA (reprint author), USA, Res Lab, Aberdeen Proving Ground, MD 21010 USA. RI Wereszczak, Andrew/I-7310-2016 OI Wereszczak, Andrew/0000-0002-8344-092X NR 31 TC 5 Z9 5 U1 2 U2 3 PU KLUWER ACADEMIC PUBL PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0022-2461 J9 J MATER SCI JI J. Mater. Sci. PD JUL 1 PY 2002 VL 37 IS 13 BP 2669 EP 2684 DI 10.1023/A:1015860831290 PG 16 WC Materials Science, Multidisciplinary SC Materials Science GA 560UL UT WOS:000176099700008 ER PT J AU Aktosun, T Rose, JH AF Aktosun, T Rose, JH TI Wave focusing on the line SO JOURNAL OF MATHEMATICAL PHYSICS LA English DT Article ID INVERSE SCATTERING; NONHOMOGENEOUS MEDIA AB Focusing of waves in one dimension is analyzed for the plasma-wave equation and the wave equation with variable speed. The existence of focusing causal solutions to these equations is established, and such wave solutions are constructed explicitly by deriving an orthogonality relation for the time-independent Schrodinger equation. The connection between wave focusing and inverse scattering is studied. The potential at any point is recovered from the incident wave that leads to focusing to that point. It is shown that focusing waves satisfy certain temporal-antisymmetry and support properties. Discontinuities in the spatial and temporal derivatives of the focusing waves are examined and related to the discontinuities in the potential of the Schrodinger equation. The theory is illustrated with some explicit examples. (C) 2002 American Institute of Physics. C1 Mississippi State Univ, Dept Math & Stat, Mississippi State, MS 39762 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Aktosun, T (reprint author), Mississippi State Univ, Dept Math & Stat, Mississippi State, MS 39762 USA. NR 13 TC 7 Z9 8 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0022-2488 J9 J MATH PHYS JI J. Math. Phys. PD JUL PY 2002 VL 43 IS 7 BP 3717 EP 3745 DI 10.1063/1.1483894 PG 29 WC Physics, Mathematical SC Physics GA 564LC UT WOS:000176315000020 ER PT J AU Zhang, XF Yang, Q De Jonghe, LC Zhang, Z AF Zhang, XF Yang, Q De Jonghe, LC Zhang, Z TI Energy dispersive spectroscopy analysis of aluminium segregation in silicon carbide grain boundaries SO JOURNAL OF MICROSCOPY-OXFORD LA English DT Article DE Al; energy-dispersive spectroscopy; grain boundary; impurity; SiC; transmission electron microscopy ID ANALYTICAL ELECTRON-MICROSCOPE; X-RAY-MICROANALYSIS; SPATIAL-RESOLUTION; THIN FOILS; K-FACTORS; NITRIDE; SPECIMENS; QUANTIFICATION; DEFINITION; CHEMISTRY AB The aluminium distribution in polycrystalline SiC hot-pressed with aluminium, boron and carbon additives was studied using X-ray energy-dispersive spectroscopy (EDS) and transmission electron microscopy (TEM). The Al excess in homophase SiC grain boundary films was determined, taking into account dissolved Al in the SiC lattice. In the spot-EDS analysis, an electron beam probe with a calibrated diameter was formed, and the total beam-specimen interaction volume was defined, taking the beam spreading through crystalline TEM foil into consideration. EDS spectra were collected from regions containing intergranular films and adjacent matrix grains, respectively. A theoretical treatment was presented and experimental errors were estimated, with a further discussion about the effects of foil thickness. Experimental examples are given, followed by statistical EDS analyses for grain boundary films in SiC samples hot-pressed with increased amounts of Al additions. The results demonstrated a substantial Al segregation in the nanometer-wide intergranular films in all samples. Al additions higher than 3 wt% saturated the Al concentrations in SiC grains and in grain boundary films. The effect of foil thickness, and the parameters for determining the optimum incident beam diameter in the EDS analysis are discussed. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Mineral Engn, Berkeley, CA 94720 USA. Beijing Lab Electron Microscopy, Beijing 100080, Peoples R China. RP Zhang, XF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. NR 42 TC 4 Z9 4 U1 0 U2 6 PU BLACKWELL PUBLISHING LTD PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DG, OXON, ENGLAND SN 0022-2720 J9 J MICROSC-OXFORD JI J. Microsc.-Oxf. PD JUL PY 2002 VL 207 BP 58 EP 68 DI 10.1046/j.1365-2818.2002.01034.x PN 1 PG 11 WC Microscopy SC Microscopy GA 576VN UT WOS:000177026900007 PM 12135460 ER PT J AU Yu, HG Muckerman, JT AF Yu, HG Muckerman, JT TI A general variational algorithm to calculate vibrational energy levels of tetraatomic molecules SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article ID DISCRETE VARIABLE REPRESENTATIONS; N-ATOM PROBLEM; RESIDUAL FILTER DIAGONALIZATION; QUARTIC FORCE-FIELD; QUANTUM-MECHANICS; VECTOR PARAMETRIZATION; HYDROGEN-PEROXIDE; PSEUDOSPECTRAL METHOD; POLYATOMIC-MOLECULES; TRIATOMIC-MOLECULES AB A general variational method for calculating vibrational energy levels of tetraatomic molecules is presented. The quantum mechanical Hamiltonian of the system is expressed in a set of coordinates defined by three orthogonalized vectors in the body-fixed frame without any dynamical approximation. The eigenvalue problem is solved by a Lanczos iterative diagonalization algorithm. which requires the evaluation of the action of the Hamiltonian operator on a vector, The Lanczos recursion is carried out in a mixed grid/basis set, i.e., a direct product discrete variable representation (DVR) for the radial coordinates and a nondirect product finite basis representation (FBR) for the angular coordinates. The action of the potential energy operator on a vector is accomplished via a pseudo-spectral transform method. Six types of orthogonal coordinates are implemented in this algorithm, which is capable of describing most four-atom systems with small and/or large amplitude vibrational motions. Its application to the molecules H2CO, NH3, and HOOH and the van der Vaals cluster He2Cl2 is discussed. (C) 2002 Elsevier Science (USA). C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RI Muckerman, James/D-8752-2013; Yu, Hua-Gen/N-7339-2015 NR 81 TC 67 Z9 67 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-2852 J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD JUL PY 2002 VL 214 IS 1 BP 11 EP 20 DI 10.1006/jmsp.2002.8569 PG 10 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 578EU UT WOS:000177105100002 ER PT J AU Bitton, G Feldman, Y Agranat, AJ AF Bitton, G Feldman, Y Agranat, AJ TI Relaxation processes of off-center impurities in KTN : Li crystals SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 1st International Dielectric Spectroscopy Conference CY APR 12-15, 2001 CL JERUSALEM, ISRAEL SP Minist Sci, Culture & Sport Israel, USN, Off Res Lab, Agilent Technologies, Hebrew Univ Jerusalem, Tel Aviv Univ, Israel Dielectr Soc, Tower Semiconductor Ltd, INTEL, NOVOCONTROL ID FERROELECTRIC PHASE-TRANSITION; RAMAN-SCATTERING; DYNAMICS; K1-XLIXTAO3; GLASS; K1-XLIXTA1-YNBYO3-CU,V; KTA1-XNBXO3; CLUSTERS; DEFECTS AB The dielectric and ferroelectric properties of K1-xLixTa1-yNbyO3 (KLTN) crystals as functions of temperature, frequency, and electric field are presented. Measurement of the polarization as a function of temperature indicates the existence of polarized microregions at temperatures well above the phase transition (PT) temperature. In the vicinity of the PT those microregions respond cooperatively and contribute to the observed macroscopic polarization. This cooperative behavior was also evident from dielectric relaxation measurements. Two relaxation processes were observed, one at high frequency and the other at low frequency. In both processes the relaxation time and the relaxation step (DeltaE) were found to increase as the PT temperature was approached. Those processes originate from movement of off-center ions in a multi-well potential. In the vicinity of the PT the correlation length of the host lattice is increased and the movements of the off-center ions become more and more correlated. The increased number of cooperatively relaxing ions increases the relaxation time and the relaxation amplitude. (C) 2002 Published by Elsevier Science B.V. C1 Hebrew Univ Jerusalem, Dept Appl Phys, IL-91904 Jerusalem, Israel. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bitton, G (reprint author), Glucon Med Inc, 70 Pinsker, IL-49130 Petah Tiqwa, Israel. NR 31 TC 11 Z9 13 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD JUL 1 PY 2002 VL 305 IS 1-3 BP 362 EP 367 AR PII S0022-3093(02)01131-6 DI 10.1016/S0022-3093(02)01131-6 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 563NC UT WOS:000176261600048 ER PT J AU Chen, J Romanzetti, S Sommer, WF Ullmaier, H AF Chen, J Romanzetti, S Sommer, WF Ullmaier, H TI Helium bubble formation in 800 MeV proton-irradiated 304L stainless steel and alloy 718 during post-irradiation annealing SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MECHANICAL-PROPERTIES; METALS; SPECTRA; WINDOW AB The bubble formation in AISI 304L and Alloy 718 irradiated with 800 MeV protons and annealed at temperatures up to 1100 degreesC has been studied by TEM. The specimens were obtained from spent target components of the LANSCE facility at the Los Alamos National Laboratory. In this and other spallation sources high concentrations of helium are generated concurrent with the displacement damage. In the specimens irradiated with around 3 x 10(25) p/m(2) (approximate to8.4 dpa), first visible bubbles appeared at 700 degreesC in Alloy 718 and at 800 degreesC in 304L stainless steel, respectively. Two temperature regions with different coarsening mechanisms could be identified and interpreted as bubble migration and coalescence at lower temperatures and Ostwald ripening at higher temperatures. From the measured bubble densities and size distributions, He concentrations were determined and compared to values obtained by release and nuclear reaction measurements, respectively. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. Forschungszentrum Julich, Projekt ESS, D-52425 Julich, Germany. Univ Ancona, INFM, I-60131 Ancona, Italy. Los Alamos Natl Lab, APT TPO, Los Alamos, NM 87545 USA. RP Chen, J (reprint author), Forschungszentrum Julich, Inst Festkorperforsch, D-52425 Julich, Germany. RI Romanzetti, Sandro/J-5663-2013 OI Romanzetti, Sandro/0000-0001-8519-1309 NR 18 TC 4 Z9 4 U1 0 U2 9 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 JUL PY 2002 VL 304 IS 1 BP 1 EP 7 AR PII S0022-3115(02)00874-7 DI 10.1016/S0022-3115(02)00874-7 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 573VT UT WOS:000176853000001 ER PT J AU Fortner, JA Kropf, AJ Finch, RJ Bakel, AJ Hash, MC Chamberlain, DB AF Fortner, JA Kropf, AJ Finch, RJ Bakel, AJ Hash, MC Chamberlain, DB TI Crystal chemistry of uranium (V) and plutonium (IV) in a titanate ceramic for disposition of surplus fissile material SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID POWDER NEUTRON-DIFFRACTION; PYROCHLORES; OXIDES AB We report X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) for the plutonium LIII and uranium LIII edges in titanate pyrochlore ceramic. The titanate ceramics studied are of the type proposed to serve as a matrix for the immobilization of surplus fissile materials. The samples studied contain approximately 10 wt% fissile plutonium and 20 wt% natural uranium, and are representative of material within the planned production envelope. Based upon natural analogue models, it had been previously assumed that both uranium and plutonium would occupy the calcium site in the pyrochlore crystal structure. While the XANES and EXAFS signals from the plutonium LIII are consistent with this substitution into the calcium site within pyrochlore, the uranium XANES is characteristic of pentavalent uranium. Furthermore, the EXAFS signal from the uranium has a distinct oxygen coordination shell at 2.07 Angstrom and a total oxygen coordination of about 6, which is inconsistent with the calcium site. These combined EXAFS and XANES results provide the first evidence of substantial pentavalent uranium in an octahedral site in pyrochlore. This may also explain the copious nucleation of rutile (TiO2) precipitates commonly observed in these materials as uranium displaces titanium from the octahedral sites. (C) 2002 Published by Elsevier Science B.V. C1 Argonne Natl Lab, Chem Technol Div, Argonne, IL 60439 USA. RP Fortner, JA (reprint author), Argonne Natl Lab, Chem Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Finch, Robert/D-9553-2013; ID, MRCAT/G-7586-2011 OI Finch, Robert/0000-0001-9342-5574; NR 21 TC 22 Z9 22 U1 2 U2 12 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 JUL PY 2002 VL 304 IS 1 BP 56 EP 62 AR PII S0022-3115(02)00870-X DI 10.1016/S0022-3115(02)00870-X PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 573VT UT WOS:000176853000007 ER PT J CA Brookhaven Natl Lab TI PET shows dopamine elevation at mere sight, smell of food SO JOURNAL OF NUCLEAR MEDICINE LA English DT News Item C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 J9 J NUCL MED JI J. Nucl. Med. PD JUL PY 2002 VL 43 IS 7 BP 39N EP 39N PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 573VX UT WOS:000176853400010 ER PT J AU Brem, RF Schoonjans, JM Kieper, DA Majewski, S Goodman, S Civelek, C AF Brem, RF Schoonjans, JM Kieper, DA Majewski, S Goodman, S Civelek, C TI High-resolution scintimarnmography: A pilot study SO JOURNAL OF NUCLEAR MEDICINE LA English DT Article DE scintimammography; breast neoplasm; high-resolution gamma camera ID TC-99M SESTAMIBI SCINTIMAMMOGRAPHY; NONPALPABLE BREAST-LESIONS; PRONE SCINTIMAMMOGRAPHY; TC-99(M)-MIBI SCINTIMAMMOGRAPHY; SCINTILLATION CAMERA; GAMMA-CAMERA; MAMMOGRAPHY; CANCER; METHOXYISOBUTYLISONITRILE; DIAGNOSIS AB This study evaluated a novel high-resolution breast-specific gamma camera (HRBGC) for the detection of suggestive breast lesions. Methods: Fifty patients (with 58 breast lesions) for whom a scintimammogram was clinically indicated were prospectively evaluated with a general-purpose gamma camera and a novel HRBGC prototype. The results of conventional and high-resolution nuclear studies were prospectively classified as negative (normal or benign) or positive (suggestive or malignant) by 2 radiologists who were unaware of the mammographic and histologic results. All of the included lesions were confirmed by pathology. Results: There were 30 benign and 28 malignant lesions. The sensitivity for detection of breast cancer was 64.3% (18/28) with the conventional camera and 78.6% (22/28) with the HRBGC. The specificity with both systems was 93.3% (28/30). For the 18 nonpalpable lesions, sensitivity was 55.5% (10/18) and 72.2% (13/18) with the general-purpose camera and the HRBGC, respectively. For lesions less than or equal to 1 cm, 7 of 15 were detected with the general-purpose camera and 10 of 15 with the HRBGC. Four lesions (median size, 8.5 mm) were detected only with the HRBGC and were missed by the conventional camera. Conclusion: Evaluation of indeterminate breast lesions with an HRBGC results in improved sensitivity for the detection of cancer, with greater improvement shown for nonpalpable and less than or equal to1-cm lesions. C1 George Washington Univ, Med Ctr, Breast Imaging & Intervent Ctr, Washington, DC 20037 USA. Johns Hopkins Inst, Russell H Morgan Dept Radiol & Radiol Sci, Baltimore, MD USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. Johns Hopkins Inst, Dept Oncol, Baltimore, MD USA. RP Brem, RF (reprint author), George Washington Univ, Med Ctr, Breast Imaging & Intervent Ctr, 2150 Penn Ave, Washington, DC 20037 USA. NR 25 TC 87 Z9 90 U1 0 U2 1 PU SOC NUCLEAR MEDICINE INC PI RESTON PA 1850 SAMUEL MORSE DR, RESTON, VA 20190-5316 USA SN 0161-5505 J9 J NUCL MED JI J. Nucl. Med. PD JUL PY 2002 VL 43 IS 7 BP 909 EP 915 PG 7 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 573VX UT WOS:000176853400018 PM 12097461 ER PT J AU Fan, Z Swadener, JG Rho, JY Roy, ME Pharr, GM AF Fan, Z Swadener, JG Rho, JY Roy, ME Pharr, GM TI Anisotropic properties of human tibial cortical bone as measured by nanoindentation SO JOURNAL OF ORTHOPAEDIC RESEARCH LA English DT Article DE anisotropy; nanoindentation; modulus; bone ID ELASTIC PROPERTIES; LAMELLAR BONE; MECHANICAL-PROPERTIES; HALF-SPACES; INDENTATION; MODULUS; HARDNESS; OSTEONS; FEMUR AB The purpose of this study was to investigate the effects of elastic anisotropy on nanoindentation measurements in human tibial cortical bone. Nanoindentation was conducted in 12 different directions in three principal planes for both osteonic and interstitial lamellae. The experimental indentation modulus was found to vary with indentation direction and showed obvious anisotropy (one-way analysis of variance test, P < 0.0001). Because experimental indentation modulus in a specific direction is determined by all of the elastic constants of cortical bone, a complex theoretical model is required to analyze the experimental results. A recently developed analysis of indentation for the properties of anisotropic materials was used to quantitatively predict indentation modulus by using the stiffness matrix of human tibial cortical bone, which was obtained from previous ultrasound studies. After allowing for the effects of specimen preparation (dehydrated specimens in nanoindentation tests vs. moist specimens in ultrasound tests) and the structural properties of bone (different microcomponents with different mechanical properties), there were no statistically significant differences between the corrected experimental indentation modulus (M-exp) values and corresponding predicted and indentation modulus (M-pre) values (two-tailed unpaired t-test, P > 0.5). The variation of M-pre values was found to exhibit the same trends as the corrected M-exp data. These results show that the effects of anisotropy on nano indentation measurements can be quantitatively evaluated. (C) 2002 Orthopaedic Research Society. Published by Elsevier Science Ltd. All rights reserved. C1 Univ Memphis, Dept Biomed Engn, Memphis, TN 38152 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Rho, JY (reprint author), Univ Memphis, Dept Biomed Engn, Memphis, TN 38152 USA. RI zhang, mingjie/C-1507-2012; OI Swadener, John G/0000-0001-5493-3461 FU PHS HHS [NIH45297] NR 21 TC 141 Z9 145 U1 2 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0736-0266 J9 J ORTHOPAED RES JI J. Orthop. Res. PD JUL PY 2002 VL 20 IS 4 BP 806 EP 810 AR PII S0736-0266(01)00186-3 DI 10.1016/S0736-0266(01)00186-3 PG 5 WC Orthopedics SC Orthopedics GA 579RL UT WOS:000177191600023 PM 12168671 ER PT J AU Sadoc, A Majzoub, EH Huett, VT Kelton, KF AF Sadoc, A Majzoub, EH Huett, VT Kelton, KF TI Evolution of the local structure with hydrogenation in Ti-Zr-Ni quasicrystals and approximants SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID ABSORPTION FINE-STRUCTURE; QUASI-CRYSTALS; ICOSAHEDRAL PHASE; PD AB The effect of hydrogenation on the local structure of Ti-Zr-Ni alloys has been studied by means of extended x-ray absorption fine structure. The alloys were either icosahedral quasicrystals or crystalline approximants. They were loaded to different hydrogen-to-metal ratios 1.2 less than or equal to H/M less than or equal to 1.7. The desorption process was also investigated by studying the local order in an alloy charged to H/M = 1.2 then desorbed to H/M = 0.84. The local structure was identical in the crystalline and quasicrystalline alloys with the same H/M ratio (0 or 1.2) and that of the desorbed sample was intermediate between that of the nonhydrogenated samples and that of the samples charged to 1.2. Therefore, it is possible to follow the evolution of the local structure with hydrogenation from H/M = 0 to 1.7. A general increase-of all the mean first distances was found except for the Zr-Ni (Ni-Zr) one. There is a remarkable inversion of the atomic subshells of titanium and nickel in the first environment of zirconium atoms around H/M = 1. For the 1.56 hydrogenated sample, the effect of adding a small amount of lead, which stabilizes the icosahedral phase, was studied and it was demonstrated that lead atoms substitute for the nickel atoms and are, therefore, incorporated into the quasilattice. C1 Univ Cergy Pontoise, Lab Phys Mat & Surfaces, F-95031 Cergy Pontoise, France. Ctr Univ Paris Sud, CNRS, CEA, MENESR,Lab Utilisat Rayonnement Electromagnet, F-91898 Orsay, France. Sandia Natl Labs, Livermore, CA 95441 USA. Washington Univ, Dept Phys, St Louis, MO 63130 USA. RP Sadoc, A (reprint author), Univ Cergy Pontoise, Lab Phys Mat & Surfaces, Neuville Oise, F-95031 Cergy Pontoise, France. NR 19 TC 12 Z9 12 U1 0 U2 0 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 JUL 1 PY 2002 VL 14 IS 25 BP 6413 EP 6426 AR PII S0953-8984(02)33562-8 DI 10.1088/0953-8984/14/25/310 PG 14 WC Physics, Condensed Matter SC Physics GA 576VB UT WOS:000177025700017 ER PT J AU Alvarez-Ruso, L Koch, V AF Alvarez-Ruso, L Koch, V TI The phi mean free path in hot hadronic matter SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HIDDEN LOCAL SYMMETRIES; DYNAMICAL GAUGE BOSONS; QUARK-GLUON PLASMA; VECTOR-MESONS; COLLISIONS AB We calculate the phi meson collision rate and mean free path in a hot hadronic gas. The hidden local symmetry model is used to take into account interactions of phi mesons with pseudoscalar (pi, K) and vector mesons (rho, omega, K*, phi). In contrast to previous calculations we find a significantly small mean free path (around 1 fm at T = 200 MeV). This implies that phi mesons produced after hadronization in relativistic heavy-ion collisions will not leave the collision region without scattering. The consequences of these findings to the analysis of phi yields are discussed. C1 Lawrence Berkeley Lab, Nucl Sci Div, Berkeley, CA 94720 USA. RP Alvarez-Ruso, L (reprint author), Lawrence Berkeley Lab, Nucl Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 10 TC 3 Z9 3 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1527 EP 1534 AR PII S0954-3899(02)33050-0 DI 10.1088/0954-3899/28/7/302 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900002 ER PT J AU Barnby, LS AF Barnby, LS CA STAR Collaboration TI Strangeness in Au+Au collisions at root s(NN)=130 GeV observed with the STAR detector SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; PLUS AU REACTIONS; EXCITATION-FUNCTION; SPECTRA; K+ AB The STAR detector has made a variety of measurements of strange and other hadronic species in Au+Au collisions at roots(NN) = 130 GeV. A comparison of kaon and pion production enables an examination of the systematics of strangeness production with energy by comparing them to lower energy collisions. Anti-baryon to baryon ratios indicate a much reduced net-baryon density and transverse momentum spectra show that a picture of transverse expansion seems appropriate. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Birmingham, Birmingham, AL USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Creighton Univ, Omaha, NE 68178 USA. Lab High Energy, Dubna, Russia. Particle Phys Lab, Dubna, Russia. Univ Frankfurt, D-6000 Frankfurt, Germany. Indiana Univ, Bloomington, IN 47408 USA. Inst Rech Subatom, Strasbourg, France. Kent State Univ, Kent, OH 44242 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Max Planck Inst Phys & Astrophys, Munich, Germany. Michigan State Univ, E Lansing, MI 48824 USA. Moscow Phys Engn Inst, Moscow, Russia. CUNY City Coll, New York, NY 10031 USA. Ohio State Univ, Columbus, OH 43210 USA. Penn State Univ, University Pk, PA 16802 USA. Inst High Energy Phys, Protvino, Russia. Purdue Univ, W Lafayette, IN 47907 USA. Rice Univ, Houston, TX 77251 USA. Univ Sao Paulo, Sao Paulo, Brazil. SUBATECH, Nantes, France. Texas A&M Coll Stn, College Stn, TX 77843 USA. Univ Texas, Austin, TX 78712 USA. Warsaw Univ Technol, Warsaw, Poland. Univ Washington, Seattle, WA 98195 USA. Wayne State Univ, Detroit, MI 48201 USA. Inst Particle Phys, Hubei 430079, Peoples R China. Yale Univ, New Haven, CT 06520 USA. RP Barnby, LS (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Barnby, Lee/G-2135-2010; Mikhail, Strikhanov/P-7393-2014 OI Barnby, Lee/0000-0001-7357-9904; Mikhail, Strikhanov/0000-0003-2586-0405 NR 28 TC 13 Z9 13 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1535 EP 1542 AR PII S0954-3899(02)32983-9 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900003 ER PT J AU Bass, SA AF Bass, SA TI Strangeness production in microscopic transport models SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA Rumanian DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; NUCLEAR-EQUATION; ENHANCEMENT; DYNAMICS; ENERGIES; MATTER; STATE; PHASE; SIMULATION AB Strangeness production in microscopic transport models for relativistic heavy-ion collisions from SIS to RHIC is reviewed: after a brief introduction into elementary strangeness production processes, the main emphasis is put on strangeness as an indicator of the nuclear equation of state, the excitation function of the K+/pi(+) ratio and strangeness as a deconfinement indicator. C1 Duke Univ, Dept Phys, Durham, NC 27708 USA. Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Bass, SA (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. OI Bass, Steffen/0000-0002-9451-0954 NR 55 TC 7 Z9 7 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1543 EP 1551 AR PII S0954-3899(02)32255-2 DI 10.1088/0954-3899/28/7/304 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900004 ER PT J AU Chung, P AF Chung, P CA E895 Collaboration TI Neutral strange particle dynamics in Au plus Au collisions at AGS energies SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; GEV AU+AU COLLISIONS; S-SHELL HYPERNUCLEI; LAMBDA-HYPERONS; INTERFEROMETRY; DEPENDENCE AB The E895 Collaboration has investigated a number of mixed-particle correlations involving neutral strange particles (K-s(0) and Lambda) in 2, 4, 6 and 8 A GeV Au + Au collisions at the AGS. The first measurements for pLambda correlations indicate a correlation magnitude of about 50% with a 26 MeV width. Detailed comparisons between data and theory suggest an emitting source with an effective Gaussian radius close to 4.5 fm. This radius is much larger than the value of 2.8 fm predicted by the relativistic transport code ART. Pairs of pK(0), pi(-)Lambda and pi(-)K(0) are found to display essentially zero correlation at 6 A GeV. The latter observations are not unexpected considering that the proton-K-0 interaction has a very small scattering length and there are no very well known interactions between pions and Lambdas or K(0)s. C1 SUNY Stony Brook, Dept Phys & Chem, Stony Brook, NY 11794 USA. Ohio State Univ, Columbus, OH 43210 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Kent State Univ, Kent, OH 44242 USA. Univ Calif Davis, Davis, CA 95616 USA. Purdue Univ, W Lafayette, IN 47907 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Auckland, Auckland 1, New Zealand. Columbia Univ, New York, NY 10027 USA. St Marys Coll, Moraga, CA 94575 USA. Harbin Inst Technol, Harbin 150001, Peoples R China. RP Chung, P (reprint author), SUNY Stony Brook, Dept Phys & Chem, Stony Brook, NY 11794 USA. NR 22 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1567 EP 1574 AR PII S0954-3899(02)31296-9 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900007 ER PT J AU Fachini, P AF Fachini, P CA STAR Collaboration TI K*(892)(0) production in relativistic heavy-ion collisions at root s(NN)=130 GeV SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID MESONS; ANNIHILATION; RESTORATION; SYMMETRY; VECTOR AB Preliminary results on the K*(892)(0) --> piK production using the mixed-event technique are presented. The measurements are performed at mid-rapidity by the STAR detector in roots(NN) = 130 GeV Au-Au collisions at RHIC. The K*(0) to negative hadron, kaon and psi ratios are obtained and compared to the measurements in e(+)e(-), pp and (p) over barp at various energies. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Fachini, P (reprint author), Brookhaven Natl Lab, Bldg 510A, Upton, NY 11973 USA. NR 28 TC 12 Z9 12 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1599 EP 1605 AR PII S0954-3899(02)33141-4 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900011 ER PT J AU Morrison, DP AF Morrison, DP CA PHENIX Collaboration TI PHENIX results and prospects regarding strangeness and charm SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID COLLISIONS; MULTIPLICITY AB Recent results concerning the production of strangeness obtained by the PHENIX experiment from the first year of Au + Au collisions at roots(NN) 130 GeV at the RHIC facility at Brookhaven National Laboratory are presented. Single-particle spectra and the ratios of single-particle yields for pions, kaons and protons are discussed. The characteristics of these spectra are examined as a function of the number of participating nucleons in the collision and as a function of transverse momentum. The prospects for a measurement of charm observables in the full-energy roots(NN) = 200 GeV Au + Au run at RHIC are discussed. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Morrison, DP (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 12 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1769 EP 1775 AR PII S0954-3899(02)32984-0 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900031 ER PT J AU Olszewski, A AF Olszewski, A CA PHOBOS Collaboration TI Overview of results from PHOBOS experiment at RHIC SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID PLUS AU COLLISIONS; CENTRALITY DEPENDENCE; PARTICLES; RAPIDITY; ENERGIES AB An overview of results for interactions of Au+Au ions at centre-of-mass energies of roots(NN) = 56, 130 and 200 GeV obtained by the PHOBOS collaboration at RHIC is given. Measurements of primary charged particle density near mid-rapidity indicate that particle production grows logarithmically with collision energy and faster than linearly with the number of interacting nucleons. Elliptic flow is found to be much stronger at RHIC than at SPS energy. The effect is strongest in peripheral events and decreases for more central collisions and emission angles \eta\ > 1. The measured anti-particle to particle ratios of production rates for pions, kaons and protons in central Au+Au interactions at roots(NN) = 130 GeV are compatible with the statistical model of particle production, showing an increasingly baryon-free region in mid-rapidity with the increase of collision energy. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Illinois, Chicago, IL USA. Univ Maryland, College Pk, MD 20742 USA. Inst Nucl Phys, Krakow, Poland. MIT, Cambridge, MA 02139 USA. Univ Rochester, Rochester, NY 14627 USA. Natl Cent Univ, Chungli 32054, Taiwan. RP Olszewski, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Holzman, Burt/0000-0001-5235-6314 NR 17 TC 4 Z9 4 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1801 EP 1807 AR PII S0954-3899(02)32985-2 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900034 ER PT J AU Rohrich, D AF Rohrich, D CA BRAHMS Collaboration TI Results from the BRAHMS experiment at RHIC SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; BARYON RAPIDITY LOSS; PLUS AU COLLISIONS; AU+AU COLLISIONS; ROOT-S(NN)=130 GEV; MIDRAPIDITY; MODEL AB Results from the BRAHMS Collaboration for the inaugural physics run with the relativistic heavy ion collider (RHIC), Au + Au collisions at roots(NN) = 130 GeV in the late summer of 2000, and some results of the very first data from the summer of 2001 at roots(NN) = 200 GeV are presented. Here the main focus is on the determination of the pseudorapidity distribution of charged particles as a function of collision centrality and on the measurement of the antiproton to proton and the K- to K+ ratios as a function of rapidity. The pseudorapidity density at midrapidity reaches dN(ch)deta = 553 +/- 36 for the most central collisions (0-5%) at roots(NN) = 130 GeV; the corresponding number for a higher energy is dN(ch)deta = 632 +/- 36, demonstrating an increase in multiplicity of about 14%. The measured antiproton/proton ratios peak at midrapidity around N((p) over bar)/N(p) = 0.64 +/- 0.06 and drop to 0.41 +/- 0.04 at y approximate to 2 for roots(NN) = 130 GeV reactions; the K- to K+ ratios are 0.90 +/- 0.06 (y approximate to 0) and 0.83 +/- 0.1 (y approximate to 2.5). C1 Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Bucharest, Bucharest, Romania. NYU, New York, NY USA. Jagiellonian Univ, Krakow, Poland. Inst Phys Nucl, Krakow, Poland. Texas A&M Univ, College Stn, TX USA. Univ Oslo, Fysisk Inst, Blindern, Norway. Univ Bergen, Dept Phys, N-5007 Bergen, Norway. Univ Strasbourg 1, IReS, Strasbourg, France. Johns Hopkins Univ, Baltimore, MD USA. Univ Kansas, Kansas City, KS USA. RP Rohrich, D (reprint author), Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. OI Christiansen, Peter/0000-0001-7066-3473; Christensen, Christian/0000-0002-1850-0121; Gaardhoje, Jens-Jorgen/0000-0001-6122-4698 NR 30 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1841 EP 1851 AR PII S0954-3899(02)32621-5 PG 11 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900038 ER PT J AU Schmitz, W AF Schmitz, W CA CERES Collaboration TI Lambda production in 40 A GeV/c Pb-Au collisions SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CA ID QUARK-GLUON-PLASMA; CERN; SPS AB During the 1999 lead run, CERES has measured hadron and electron-pair production at 40 A GeV/c beam momentum with the spectrometer upgraded by the addition of a radial TPC. Here the analysis of Lambda and (Lambda) over bar will be presented. C1 ASCR, NPI, Rez, Czech Republic. GSI Darmstadt, D-6100 Darmstadt, Germany. Heidelberg Univ, Heidelberg, Germany. JINR, Dubna, Russia. Weizmann Inst Sci, Rehovot, Israel. SUNY Stony Brook, Stony Brook, NY 11794 USA. CERN, Geneva, Switzerland. BNL, Upton, NY USA. MPI, Heidelberg, Germany. RP ASCR, NPI, Rez, Czech Republic. OI Maas, Axel/0000-0002-4621-2151 NR 21 TC 6 Z9 6 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 EI 1361-6471 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1861 EP 1868 AR PII S0954-3899(02)32959-1 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900040 ER PT J AU Soff, S Bass, SA Hardtke, DH Panitkin, SY AF Soff, S Bass, SA Hardtke, DH Panitkin, SY TI (Strange) meson interferometry at RHIC SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; BOSE-EINSTEIN CORRELATIONS; RELATIVISTIC NUCLEAR COLLISIONS; QUANTUM MOLECULAR-DYNAMICS; HIGH-ENERGY COLLISIONS; PION INTERFEROMETRY; PHASE-TRANSITION; PARTICLE CORRELATIONS; FREEZE-OUT AB We make predictions for the kaon interferometry measurements in Au+Au collisions at the relativistic heavy ion collider (RHIC). A first-order phase transition from a thermalized quark-gluon plasma (QGP) to a gas of hadrons is assumed for the transport calculations. The fraction of kaons that are directly emitted from the phase boundary is considerably enhanced at large transverse momenta K-T similar to 1 GeV/c. In this kinematic region, the sensitivity of the R-out/R-side ratio to the QGP properties is enlarged. The results of the one-dimensional correlation analysis are presented. The extracted interferometry radii, depending on K-T, are not unusually large and are strongly affected by finite momentum resolution effects. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci 70 319, Berkeley, CA 94720 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Soff, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci 70 319, 1 Cyclotron Rd, Berkeley, CA 94720 USA. OI Bass, Steffen/0000-0002-9451-0954 NR 56 TC 7 Z9 7 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1885 EP 1893 AR PII S0954-3899(02)32986-4 DI 10.1088/0954-3899/28/7/343 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900043 ER PT J AU Blaschke, D Burau, G Kalinovsky, Y Barnes, T AF Blaschke, D Burau, G Kalinovsky, Y Barnes, T TI Heavy flavour kinetics at the hadronization transition SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID PB-PB COLLISIONS; ANOMALOUS J/PSI SUPPRESSION; PHASE-TRANSITION; CERN-SPS; DECONFINEMENT; ABSORPTION; MATTER; MODEL; DISSOCIATION; PATTERN AB We investigate the in-medium modification of the charmonim breakup processes due to the Mott effect for light (pi, rho) and open-charm (D, D*) quark-antiquark bound states at the chiral/deconfinement phase transition. The Mott effect for the D-mesons effectively reduces the threshold for charmonium breakup cross sections, which is suggested as an explanation of the anomalous J/psi suppression phenomenon in the NA50 experiment. Further implications of finite-temperature mesonic correlations for the hadronization of heavy flavours in heavy-ion collisions are discussed. C1 Univ Rostock, Fachbereich Phys, D-2500 Rostock 1, Germany. Joint Inst Nucl Res Dubna, Bogolyubov Lab Theoret Phys, Dubna, Russia. Joint Inst Nucl Res Dubna, Informat Technol Lab, Dubna, Russia. Oak Ridge Natl Lab, Oak Ridge, TN USA. Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Blaschke, D (reprint author), Univ Rostock, Fachbereich Phys, D-2500 Rostock 1, Germany. NR 29 TC 3 Z9 3 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1959 EP 1963 AR PII S0954-3899(02)32627-6 DI 10.1088/0954-3899/28/7/353 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900053 ER PT J AU Bleicher, MJ Bass, SA AF Bleicher, MJ Bass, SA TI Anti-Omega dominance in pp interactions at intermediate energies SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; RELATIVISTIC NUCLEAR COLLISIONS; HADRON-PRODUCTION; STRANGENESS PRODUCTION; PARTICLE-PRODUCTION; AU COLLISIONS; PHASE; MULTIPLICITIES; EQUILIBRATION AB The Ohm(+)/Ohm(-) ratio originating from string decays is predicted to be >1 in pp interaction at SPS energies. The anti-Ohm dominance increases with decreasing beam energy. This surprising behaviour is caused by the combinatorics of quark-antiquark production in small, finite strings. Since this behaviour is not found in a statistical description of hadron production in pp collisions, it may serve as a potent observable to probe the hadronization mechanism in such collisions. C1 Univ Nantes, CNRS, Lab Phys Subatom & Technol Associees, SUBATECH,IN2P3,Ecole Mines Nantes, F-44072 Nantes 03, France. Duke Univ, Dept Phys, Durham, NC 27706 USA. RIKEN, BNL Res Ctr, Brookhaven Natl Lab, Upton, NY USA. RP Bleicher, MJ (reprint author), Univ Nantes, CNRS, Lab Phys Subatom & Technol Associees, SUBATECH,IN2P3,Ecole Mines Nantes, 4 Rue Alfred Kastler, F-44072 Nantes 03, France. NR 34 TC 1 Z9 1 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 1965 EP 1969 AR PII S0954-3899(02)32333-8 DI 10.1088/0954-3899/28/7/354 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900054 ER PT J AU Dietrich, DD Nayak, GC Greiner, W AF Dietrich, DD Nayak, GC Greiner, W TI Parton production via vacuum polarization SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID FIELD; QUARK; GAUGE AB We discuss the production mechanism of partons via vacuum polarization during the very early, gluon-dominated phase of an ultrarelativistic heavy-ion collision in the framework of the background field method of quantum chromodynamics. C1 Univ Frankfurt, Inst Theoret Phys, D-60054 Frankfurt, Germany. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Dietrich, DD (reprint author), Univ Frankfurt, Inst Theoret Phys, Robert Mayer Str 8, D-60054 Frankfurt, Germany. NR 13 TC 9 Z9 9 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2001 EP 2004 AR PII S0954-3899(02)32340-5 DI 10.1088/0954-3899/28/7/361 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900061 ER PT J AU Glendenning, NK AF Glendenning, NK TI On the possibility of detecting phase transitions in the cores of accreting x-ray neutron stars SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID SPIN-DOWN; HYPERNUCLEI; BINARIES; MATTER AB Phase transitions can be triggered by a change of density profile in neutron stars as a result of spin-up caused by mass accretion from a companion star. Such a spin evolution is the pathway from old canonical pulsars to millisecond pulsars. A number of x-ray neutron stars have been recently observed by the Rossi x-ray timing explorer (RXTE). Most of their frequencies are clustered in a narrow band with a few at higher frequency. This is the expected signature of a phase transition in the stellar core. C1 Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astrophys, Berkeley, CA 94720 USA. RP Glendenning, NK (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, MS-70-314, Berkeley, CA 94720 USA. NR 17 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2023 EP 2027 AR PII S0954-3899(02)32684-7 DI 10.1088/0954-3899/28/7/365 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900065 ER PT J AU Laue, F AF Laue, F CA STAR Collaboration TI Mid-rapidity phi production in Au+Au collisions at root s(NN)=130 GeV SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID HEAVY-ION COLLISIONS; QUARK-GLUON PLASMA; PB-PB COLLISIONS; MESON PRODUCTION; AU COLLISIONS; STRANGENESS; EXTRACTION; PHYSICS; QCD AB We present the first measurement of the phi vector meson production in Au+Au collisions at roots(NN) = 130 GeV. For the top 11% multiplicity events, fitting an exponential,to the transverse mass distribution, we obtain an inverse slope parameter of T = 379 +/- 50 (stat) +/- 45 (syst) MeV, a yield of dN/dy = 5.73 +/- 0.37 (stat) +/- 0.69 (syst) per event and a N-phi/N-h- ratio of (2.1 +/- 0.1 (stat) +/- 0.4 (syst))%. Within the statistical error we find no dependence of the inverse slope parameter, T, or the N-phi/N-h- ratio on multiplicity. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Laue, F (reprint author), Brookhaven Natl Lab, Bldg 510A, Upton, NY 11973 USA. NR 30 TC 6 Z9 6 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2051 EP 2057 AR PII S0954-3899(02)32412-5 PG 7 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900070 ER PT J AU Panitkin, SY AF Panitkin, SY CA STAR Collaboration TI Charged kaon correlations from Au+Au collisions at root S-NN=130 GeV SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID STAR AB We present preliminary results of the charged kaon correlation analysis of Au + Au collisions at rootS(NN) = 130 GeV performed by the STAR Collaboration at RHIC. RHIC data are compared with SPS results as well as theoretical predictions. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Panitkin, SY (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 8 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2085 EP 2088 AR PII S0954-3899(02)32413-7 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900076 ER PT J AU Van Buren, G AF Van Buren, G CA STAR Collaboration TI STAR strangeness results from root S-NN=130 GeV Au+Au collisions (and first results from 200 GeV) SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID AU COLLISIONS AB The STAR experiment at RHIC is capable of a wide variety of measurements of the production of strange hadrons in nuclear collisions. Measurements of the relative production of strange baryons, antibaryons and kaons can shed light on the baryon densities achieved in these collisions and on the validity of models for production yields. We will present here preliminary results on these measurements at RHIC energies of roots(NN) = 130 GeV and 200 GeV and discuss comparisons to models. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Van Buren, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 15 TC 8 Z9 8 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2103 EP 2107 AR PII S0954-3899(02)33008-1 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900079 ER PT J AU Xu, N AF Xu, N TI Strangeness and charm production in high-energy heavy ion collisions SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS LA English DT Article; Proceedings Paper CT 6th International Conference on Strange Quarks in Matter CY SEP 24-29, 2001 CL BERKELEY, CALIFORNIA ID NUCLEUS-NUCLEUS COLLISIONS; TRANSVERSE-MOMENTUM DEPENDENCE; PB-PB COLLISIONS; J-PSI PRODUCTION; ELLIPTIC FLOW; FREEZE-OUT; SPS; EQUILIBRATION; ENHANCEMENT; EXPANSION AB We discuss the dynamical effects of strangeness and charm production in high-energy nuclear collisions. In order to understand the early stage dynamical evolution, it is necessary to study the transverse momentum distributions of multi-strange hadrons such as Xi and Omega and charm mesons such as J/Psi as a function of collision centrality. C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Xu, N (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 53 TC 2 Z9 2 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0954-3899 J9 J PHYS G NUCL PARTIC JI J. Phys. G-Nucl. Part. Phys. PD JUL PY 2002 VL 28 IS 7 BP 2121 EP 2126 AR PII S0954-3899(02)32238-2 DI 10.1088/0954-3899/28/7/382 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 582PT UT WOS:000177360900082 ER PT J AU Shim, J Ha, HY Hong, SA Oh, IH AF Shim, J Ha, HY Hong, SA Oh, IH TI Characteristics of the Nafion ionomer-impregnated composite membrane for polymer electrolyte fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE polymer electrolyte fuel cell; composite membrane; nation; water uptake; water flux ID LOADING ELECTRODES; GORE-TEX; PLATINUM; TECHNOLOGY; TRANSPORT; WATER AB Composite polymer electrolyte membranes were prepared by impregnating Nafion solution into the porous expanded PTFE (ePTFE) films as a substrate and their single cell performance, gas permeability, water flux, and water uptake were investigated. Although the nitrogen permeability of the composite membrane was higher than that of Nafion 112, there was not the serious cross-over of gases to diminish cell performance and it was seen that the cell performance could be improved by reduced thickness of the composite membrane. It was also seen that water uptake and water flux of the composite membrane were dependent on the Nafion loading amount on the substrate and, therefore, the thickness of the membrane. The water uptake as well as the water flux of the composite membrane increased as the Nafion loading amount increased and the increase rate of water uptake with temperature for the composite membranes was found to be larger than Nafion 112. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Korea Inst Sci & Technol, Fuel Cell Res Ctr, Seoul 136791, South Korea. RP Shim, J (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, 1 Cyclotron Rd,MS 70-108B, Berkeley, CA 94720 USA. NR 19 TC 44 Z9 44 U1 1 U2 10 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 JUL 1 PY 2002 VL 109 IS 2 BP 412 EP 417 AR PII S0378-7753(02)00106-4 DI 10.1016/S0378-7753(02)00106-4 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 572BJ UT WOS:000176753400021 ER PT J AU Lefantzi, S Knight, DD AF Lefantzi, S Knight, DD TI Automated design optimization of a three-dimensional S-shaped subsonic diffuser SO JOURNAL OF PROPULSION AND POWER LA English DT Article AB An automated design optimization process for subsonic S-shaped diffusers was developed and validated. The test case for the process was the evolution of an optimal design for an S-shaped subsonic diffuser, where optimality was based on the minimization of the total pressure distortion at the diffuser exit, while sustaining total pressure recovery. Constraints placed by airframe weight, space, and line-of-sight blockage of the engine face cause subsonic diffusers to be highly divergent and curved, characteristics that lead to strong secondary flows, boundary-layer separation, and inhomogeneity of the total pressure profile. As a part of the design process, we introduce a surface perturbation (bump) on a baseline S-shaped diffuser, and minimize an objective function, reflecting the total-pressure distortion, with respect to the perturbation height and width. To synthesize the automated analysis and optimization method, we created a Subsonic Diffuser Design System (SDDS), which utilizes four commercial/thirdparty software tools. These tools are Pro/Engineer (a three-dimensional solid modeler for the generation of diffuser geometries), GridPro (an elliptic mesh generator), GASPex (an aerodynamic simulation package), and CFSQP (a gradient-based optimizer to traverse the design space automatically). The integration of Pro/Engineer significantly expands the capability of SDDS to enable multidisciplinary design, for example, include structural and thermal analysis, into the automated design process. Results indicate the development of the surface perturbation and a consequent, decrease in total pressure distortion during the convergence to the optimal geometry. We emphasized on the flowfield visualization of the optimal diffuser and detected a complex three-dimensional separation region inside the bump. C1 Rutgers State Univ, Dept Mech & Aerosp Engn, Piscataway, NJ 08854 USA. RP Lefantzi, S (reprint author), Sandia Natl Labs, Reacting Flow Res, POB 969,Mail Stop 9051, Livermore, CA 94551 USA. NR 14 TC 13 Z9 14 U1 2 U2 3 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091 USA SN 0748-4658 J9 J PROPUL POWER JI J. Propul. Power PD JUL-AUG PY 2002 VL 18 IS 4 BP 913 EP 921 DI 10.2514/2.6017 PG 9 WC Engineering, Aerospace SC Engineering GA 575EQ UT WOS:000176934100027 ER PT J AU Blonder, J Goshe, MB Moore, RJ Pasa-Tolic, L Masselon, CD Lipton, MS Smith, RD AF Blonder, J Goshe, MB Moore, RJ Pasa-Tolic, L Masselon, CD Lipton, MS Smith, RD TI Enrichment of integral membrane proteins for proteomic analysis using liquid chromatography-tandem mass spectrometry SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE membrane proteins; sample preparation; hydrophobic proteins; proteomics; mass spectrometry ID CYTOCHROME-C-OXIDASE; CODED AFFINITY TAGS; ESCHERICHIA-COLI; 2-DIMENSIONAL ELECTROPHORESIS; OUTER-MEMBRANE; DEINOCOCCUS RADIODURANS; QUANTITATIVE-ANALYSIS; CRYSTAL-STRUCTURES; BACTERIAL; IDENTIFICATION AB An increasing number of proteomic strategies rely on liquid chromatography-tandem mass spectrometry (LC-MS/MS) to detect and identify constituent peptides of enzymatically digested proteins obtained from various organisms and cell types. However, sample preparation methods for isolating membrane proteins typically involve the use of detergents and chaotropes that often interfere with chromatographic separation and/or electrospray ionization. To address this problem, a sample preparation method combining carbonate extraction, surfactant-free organic solvent-assisted solubilization, and proteolysis was developed and demonstrated to target the membrane subproteome of Deinococcus radiodurans. Out of 503 proteins identified, 135 were recognized as hydrophobic on the basis of their calculated hydropathy values (GRAVY index), corresponding to coverage of 15% of the predicted hydrophobic proteome. Using the PSORT algorithm, 53 of the proteins identified were classified as integral outer membrane proteins and 215 were classified as integral cytoplasmic membrane proteins. All identified integral cytoplasmic membrane proteins had from 1 to 16. mapped transmembrane domains (TMDs), and 65% of those containing four or more mapped TMDs were identified by at least one hydrophobic membrane spanning peptide. The extensive coverage of the membrane subproteome (24%) by identification of highly hydrophobic proteins containing multiple TMDs validates the efficacy of the described sample preparation technique to isolate and solubilize hydrophobic integral membrane proteins from complex protein mixtures. C1 Pacific NW Natl Lab, Environm & Mol Sci Lab, Richland, WA 99352 USA. RP Smith, RD (reprint author), Pacific NW Natl Lab, Environm & Mol Sci Lab, POB 999,MSIN K8-98, Richland, WA 99352 USA. RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 NR 60 TC 181 Z9 193 U1 2 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD JUL-AUG PY 2002 VL 1 IS 4 BP 351 EP 360 DI 10.1021/pr0255248 PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 599QX UT WOS:000178347600008 PM 12645891 ER PT J AU Piepel, GF Szychowski, JM Loeppky, JL AF Piepel, GF Szychowski, JM Loeppky, JL TI Augmenting Scheffe linear mixture models with squared and/or crossproduct terms SO JOURNAL OF QUALITY TECHNOLOGY LA English DT Article DE curvature; mixture component effects; model reduction; variable selection ID DESIGNS; GLASSES AB In a mixture experiment, q greater than or equal to 2 components are mixed in various proportions, and one or more responses are measured for each mixture. Scheffe quadratic models are often used to model responses as functions of the component proportions. A complete Scheffe quadratic model contains q linear terms beta(i)x(i) and Q = q(q - 1)/2 quadratic crossproduct terms beta(ij)x(i)x(j) (i < j). Because Q increases rapidly as q increases, alternative models containing fewer quadratic terms than the complete Scheffe quadratic model are of interest. Traditionally, reduced Scheffe quadratic models, formed by augmenting linear terms with selected quadratic crossproduct terms, are used. We propose generating partial quadratic mixture (PQM) 2 models by augmenting linear terms with selected quadratic crossproduct terms and/or squared terms beta(ii)x(i)(2) The interpretations and potential advantages of PQM models compared to equivalent restricted Scheffe quadratic models and to reduced Scheffe quadratic models are discussed. The methods are illustrated using data from two constrained mixture experiments involving simulated waste glass. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Kentucky, Dept Stat, Lexington, KY 40506 USA. Simon Fraser Univ, Dept Stat & Actuarial Sci, Burnaby, BC V5A 1S6, Canada. RP Piepel, GF (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. NR 17 TC 15 Z9 15 U1 0 U2 0 PU AMER SOC QUALITY CONTROL-ASQC PI MILWAUKEE PA 600 N PLANKINTON AVE, MILWAUKEE, WI 53203 USA SN 0022-4065 J9 J QUAL TECHNOL JI J. Qual. Technol. PD JUL PY 2002 VL 34 IS 3 BP 297 EP 314 PG 18 WC Engineering, Industrial; Operations Research & Management Science; Statistics & Probability SC Engineering; Operations Research & Management Science; Mathematics GA 571RA UT WOS:000176729700006 ER PT J AU Vo-Dinh, T Allain, LR Stokes, DL AF Vo-Dinh, T Allain, LR Stokes, DL TI Cancer gene detection using surface-enhanced Raman scattering (SERS) SO JOURNAL OF RAMAN SPECTROSCOPY LA English DT Article ID BREAST-CANCER; DNA; GOLD; BAX; SPECTROMETRY; IDENTIFICATION; EXPRESSION; SUBSTRATE; TUMORS; PROBES AB We describe the development of a surface-enhanced Raman scattering (SERS) method for cancer gene detection. The technology uses DNA gene probes based on SERS labels for gene detection. The detection method uses nanostructured metallic substrates as SERS-active platforms. The surface-enhanced Raman gene (SERGen) probes can be used to detect DNA targets via hybridization to DNA sequences complementary to these probes. The probes do not require the use of radioactive labels and have great potential to provide both sensitivity and selectivity. The usefulness of the SERGen approach and its applications in cancer gene diagnostics (e.g. BRCA1 breast cancer gene and BAX gene) is discussed. Copyright (C) 2002 John Wiley Sons, Ltd. C1 Oak Ridge Natl Lab, Div Life Sci, Adv Monitoring Dev Grp, Oak Ridge, TN 37831 USA. RP Vo-Dinh, T (reprint author), Oak Ridge Natl Lab, Div Life Sci, Adv Monitoring Dev Grp, Oak Ridge, TN 37831 USA. NR 36 TC 142 Z9 145 U1 3 U2 38 PU JOHN WILEY & SONS LTD PI W SUSSEX PA BAFFINS LANE CHICHESTER, W SUSSEX PO19 1UD, ENGLAND SN 0377-0486 J9 J RAMAN SPECTROSC JI J. Raman Spectrosc. PD JUL PY 2002 VL 33 IS 7 BP 511 EP 516 DI 10.1002/jrs.883 PG 6 WC Spectroscopy SC Spectroscopy GA 580KB UT WOS:000177232800004 ER PT J AU Ashbaugh, HS Fetters, LJ Adamson, DH Prud'homme, RK AF Ashbaugh, HS Fetters, LJ Adamson, DH Prud'homme, RK TI Flow improvement of waxy oils mediated by self-aggregating partially crystallizable diblock copolymers SO JOURNAL OF RHEOLOGY LA English DT Article ID SEA CRUDE OILS; BLOCK-COPOLYMERS; PRECIPITATION; DISSOLUTION; TEMPERATURE; PREDICTION; BEHAVIOR; FUEL; GEL AB Precipitation and gelation of long chain paraffins from oil presents a challenge to the recovery and processing of waxy crude oils and fuel stocks. Diblock polymers consisting of a crystallizable polyethylene (PE) block and an amorphous poly (ethylenepropylene) (PEP) block self-assemble in oil to form expansive plate-like aggregates, consisting of a PE core within a PEP brush layer. In the presence of crystallizable paraffins the crystalline PE core can promote nucleation of solubilized long chain paraffins or may cocrystallize with the paraffin phase with the soluble PEP brush providing steric stabilization of the wax crystals. We examine the effect of PE-b-PEP additives of varying PEP brush length (5 and 11 K) on the yield stresses of straight chain paraffin gels (ranging in length from 24 to 36 carbons) in decane. PE-b-PEP addition at levels as low as 500 ppm produce reductions of wax gel yield stresses by factors of 3000. At higher PE-b-PEP addition levels gels can be formed with higher yield values than solutions without polymer. The location of the minimum in the yield stress with respect to polymer addition depends on the molecular weight of the paraffin and the PEP brush length; Microscopic crystal dimensions and mobility correlate with the observed rheological results. Potential underlying mechanisms for the observed efficiencies are discussed. (C) 2002 The Society of Rheology. C1 Princeton Univ, Dept Chem Engn, Princeton, NJ 08544 USA. ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA. Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA. RP Ashbaugh, HS (reprint author), Los Alamos Natl Lab, Div Theoret, MS B268, Los Alamos, NM 87545 USA. EM hank@lanl.gov RI Ashbaugh, Henry/C-9767-2011; Adamson, Douglas/C-8721-2009 NR 26 TC 31 Z9 32 U1 1 U2 23 PU JOURNAL OF RHEOLOGY AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0148-6055 J9 J RHEOL JI J. Rheol. PD JUL-AUG PY 2002 VL 46 IS 4 BP 763 EP 776 DI 10.1122/1.1485280 PG 14 WC Mechanics SC Mechanics GA 569NK UT WOS:000176608300001 ER PT J AU Van den Berghe, S Verwerft, M Laval, JP Gaudreau, B Allen, PG Van Wyngarden, A AF Van den Berghe, S Verwerft, M Laval, JP Gaudreau, B Allen, PG Van Wyngarden, A TI The local uranium environment in cesium uranates: A combined XPS, XAS, XRD, and neutron diffraction analysis SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE cesium uranates; XPS; EXAFS; XANES; XRD; neutron powder diffraction; Rietveld ID ABSORPTION FINE-STRUCTURE; BOND-VALENCE PARAMETERS; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE; POWDER DIFFRACTION; SPECTROSCOPY; BAPB1-XBIXO3; NAUO3; UO2 AB The cesium uranates Cs2UO4, Cs2U2O7, Cs4U5O17 and Cs2U4O12 were studied using X-ray Diffraction (XRD), neutron diffraction, X-ray Photoelectron Spectroscopy (XPS) and X-ray Absorption Spectroscopy (XAS) in an attempt to couple the crystallographic structure to the uranium valence state using the local uranium environment. The diffraction spectra were used for Rietveld refinement to determine the atomic positions and interatomic distances. These distances were subsequently used in Bond Valence Sum (BVS) calculations to determine the uranium valences. The XAS spectra give direct information on the local uranium environment regarding the U-O distances and the arrangement of the oxygen atoms around the central uranium. The difference between the monovalent uranates and the multivalent Cs2U4O12 is clearly established in all spectra, as well as in the crystal structures. The different valences present can be assigned to individual uranium lattice sites, but some amount of disorder is required to balance the charges. (C) 2002 Elsevier Science (USA). C1 CEN SCK, B-2400 Mol, Belgium. Univ Limoges, SPCTS, UMR CNRS 6638, F-87060 Limoges, France. Lawrence Livermore Natl Lab, Seaborg Inst, Livermore, CA 94551 USA. RP Van den Berghe, S (reprint author), CEN SCK, Boretang 200, B-2400 Mol, Belgium. OI Van den Berghe, Sven/0000-0002-2537-4645 NR 35 TC 40 Z9 40 U1 2 U2 23 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JUL PY 2002 VL 166 IS 2 BP 320 EP 329 DI 10.1006/jssc.2002.9594 PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 573AW UT WOS:000176808000009 ER PT J AU Jensen, TR Hazell, RG Christensen, AN Hanson, JC AF Jensen, TR Hazell, RG Christensen, AN Hanson, JC TI Hydrothermal synthesis of lithium zinc phosphates: Structural investigation of twinned alpha-Li4Zn(PO4)(2) and a high temperature polymorph beta-Li4Zn(PO4)(2) SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE lithium zinc phosphate; hydrothermal synthesis; crystal structure; synchrotron radiation; thermal investigation; in situ powder diffraction ID POWDER NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; THERMAL TRANSFORMATION; REFINEMENT; LIZNPO4-CENTER-DOT-H2O; ALPHA-LIZNPO4; LIZNPO4 AB The system LiOH:Zn(NO3)(2):H3PO4:H2O was investigated using hydrothermal synthesis techniques in the temperature range 20degreesC < T < 602degreesC and pressure range, 1 < p < 2.8 kbar, and the crystallization fields of some lithium zinc orthophosphates are reported. Small crystals of a twinned lithium zinc phosphate, alpha-Li(4)ZH(PO4)(2) were prepared and a structural investigation was performed using synchrotron X-ray diffraction: monoclinic, space group P2(1) /a, a = 8.096(2) Angstrom, b = 10.242(2) Angstrom, c = 8.106(2) Angstrom, beta = 104.73(3)degrees, V = 650.1(2) Angstrom(3) and Z = 4. The refinement gave R(F) = 0.042 and wR(F-2) = 0.068 based on 968 independent reflections and 616 observed, F-o(2) > 3sigma(F-o(2)) (lambda = 0.9346(1) Angstrom). The cations are tetrahedrally coordinated to oxygen, and the structure can be viewed as layers of regular ZnO4 and PO4 tetrahedra interconnected by more distorted LiO4 tetrahedra. Thermal investigation using in situ powder X-ray diffraction in the temperature range 20degreesC < T < 900degreesC was performed. The reversible phase transition alpha --> Li4Zn(PO4)(2) was observed in agreement with previous investigations. A powder pattern measured at T = 900degreesC was indexed with a triclinic unit cell: space group, P (1) over bar, a = 5.173(3) Angstrom, b = 7.97(1) Angstrom, c = 9.92(1) Angstrom, alpha = 80.9(1)degrees, beta = 126.8(1)degrees and gamma = 106.0(1)degrees, V = 319.8(7) Angstrom(3) and Z = 2. The linear thermal expansion of alpha- and beta-Li4Zn(PO4)(2) are extracted from powder diffraction data in the temperature range RT to 900degreesC. (C) 2002 Elsevier Science (USA). C1 Aarhus Univ, Dept Chem, DK-8000 Aarhus C, Denmark. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Jensen, TR (reprint author), Aarhus Univ, Dept Chem, Langelandsgade 140, DK-8000 Aarhus C, Denmark. RI Hanson, jonathan/E-3517-2010; OI Jensen, Torben Rene/0000-0002-4278-3221 NR 40 TC 14 Z9 16 U1 2 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JUL PY 2002 VL 166 IS 2 BP 341 EP 351 DI 10.1006/jssc.2002.9602 PG 11 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 573AW UT WOS:000176808000012 ER PT J AU Hayward, MA Ramirez, AP Cava, RJ AF Hayward, MA Ramirez, AP Cava, RJ TI Structure, stoichiometry, and properties of the chimney-ladder phases Ru2Ge3+x (0 < x < 1) SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE RU2Ge3; electronic properties; incommensurate structure ID THERMOELECTRIC-MATERIALS AB The preparation and physical characterization of non-stoichiometric Ru2Ge3+x (0 less than or equal to x less than or equal to 1) are reported for the first time. The defect TiSi2-tYPe chimney-ladder structure is maintained for the full stoichiometry range. The resistivity of Ru2Ge3+x increases systematically with x from 300 mOmegacm, x = 0-3 Omega cm. x = 1 at 300 K. The temperature dependence is consistent with a variable range-hopping mechanism for x greater than or equal to 0.6. The Seebeck coefficients of samples do not evolve simply with x. A low thermal conductivity (kappa(300 K) = 0.03 W/K cm) suggests that Ru2Ge3 has some of the properties of a phonon-glass-electroncrystal. The low value of the thermoelectric figure of merit ZT =3.2 x 10(-3) (T=300K) calculated for Ru2Ge3 is due primarily to a low conductivity. (C) 2002 Elsevier Science (USA). C1 Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. Princeton Univ, Princeton Mat Inst, Princeton, NJ 08544 USA. Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. RP Hayward, MA (reprint author), Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. OI Hayward, Michael/0000-0002-6248-2063 NR 13 TC 4 Z9 5 U1 1 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JUL PY 2002 VL 166 IS 2 BP 389 EP 394 DI 10.1006/jssc.2002.9611 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 573AW UT WOS:000176808000018 ER PT J AU Haines, J Cambon, O Philippot, E Chapon, L Hull, S AF Haines, J Cambon, O Philippot, E Chapon, L Hull, S TI A neutron diffraction study of the thermal stability of the alpha-quartz-type structure in germanium dioxide SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE germanium dioxide; quartz; piezoelectricity; neutron diffraction; crystal structure; high temperature ID CRYSTAL-STRUCTURE; TEMPERATURE-DEPENDENCE; PHASE-TRANSITION; GEO2 POLYMORPHS; HIGH-PRESSURE; X-RAY; GAPO4; 500-DEGREES-C; 750-DEGREES-C; ALASO4 AB The structure of the alpha-quartz-type form of germanium dioxide was refined at room temperature and up to 1344 K by the Rietveld method using time-of-flight neutron powder diffraction data. The intertetrahedral bridging angle theta and the tilt angle delta exhibit thermal stabilities that are among the highest observed in alpha-quartz homeotypes. The temperature dependence of these angles is found to be a function of the structural distortion in these materials. Structure-property relationships predict that due to its highly distorted structure, germanium dioxide is potentially a high-performance piezoelectric material. The high stability of the above structural parameters as a function of temperature infers that the corresponding piezoelectric properties should also be retained under these conditions. At the present time, problems related to phase stability and crystal growth need to be resolved before the alpha-quartz-type form of germanium dioxide can be used as a piezoelectric material. (C) 2002 Elsevier Science (USA). C1 Univ Montpellier 2, CNRS, UMR 5617, Lab Physicochim Mat Condensee, F-34095 Montpellier 5, France. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Rutherford Appleton Lab, ISIS Sci Div, Didcot OX11 0QX, Oxon, England. RP Haines, J (reprint author), Univ Montpellier 2, CNRS, UMR 5617, Lab Physicochim Mat Condensee, CC 003,Pl E Bataillon, F-34095 Montpellier 5, France. NR 33 TC 77 Z9 77 U1 0 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 J9 J SOLID STATE CHEM JI J. Solid State Chem. PD JUL PY 2002 VL 166 IS 2 BP 434 EP 441 DI 10.1006/jssc.2002.9625 PG 8 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA 573AW UT WOS:000176808000024 ER PT J AU Stock, SR Barss, J Dahl, T Veis, A Almer, JD AF Stock, SR Barss, J Dahl, T Veis, A Almer, JD TI X-ray absorption microtomography (microCT) and small beam diffraction mapping of sea urchin teeth SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Lytechinus variegatus; microtomography (microCT); sea urchin; tooth; X-ray; X-ray diffraction ID FATIGUE-CRACK CLOSURE; AL-LI-2090 T8E41; DETECTOR SYSTEMS; APPLIED LOAD; TOMOGRAPHY; PROTEINS; CALCITE; SAMPLES; CALIBRATION; DISTORTIONS AB Two noninvasive X-ray techniques, laboratory X-ray absorption microtomography (microCT) and X-ray diffraction mapping, were used to study teeth of the sea urchin Lytechinus variegatus. MicroCT revealed low attenuation regions at near the tooth's stone part and along the carinar process-central prism boundary; this latter observation appears to be novel. The expected variation of Mg fraction x in the mineral phase (calcite, Ca1-x MgxCO3) cannot account for all of the linear attenuation coefficient decrease in the two zones: this suggested that soft tissue is localized there. Transmission diffraction mapping (synchrotron X-radiation, 80.8 keV, 0.1x0.1 mm(2) beam area, 0.1 mm translation grid, image plate area detector) simultaneously probed variations in 3-D and showed that the crystal elements of the "T"-shaped tooth were very highly aligned. Diffraction patterns from the keel (adaxial web) and from the abaxial flange (containing primary plates and the stone part) differed markedly. The flange contained two populations of identically oriented crystal elements with lattice parameters corresponding to x=0.13 and x=0.32. The keel produced one set of diffraction spots corresponding to the lower x. The compositions were more or less equivalent to those determined by others for camarodont teeth, and the high Mg phase is expected to be disks of secondary mineral epitaxially related to the underlying primary mineral element. Lattice parameter gradients were not noted in the keel or flange. Taken together, the microCT and diffraction results indicated that there was a band of relatively high protein content, of up to similar to0.25 volume fraction, in the central part of the flange and paralleling its adaxial and abaxial faces. X-ray microCT and microdiffraction data used in conjunction with protein distribution data will be crucial for understanding the properties of various biocomposites and their mechanical functions. (C) 2002 Elsevier Science (USA). All rights reserved. C1 Northwestern Univ, Inst Bioengn & Nanosci Adv Med, Chicago, IL 60611 USA. Northwestern Univ, Sch Med, Dept Cell & Mol Biol, Chicago, IL 60611 USA. Argonne Natl Lab, Adv Photon Source, User Program Div, SRI CAT, Argonne, IL 60439 USA. RP Stock, SR (reprint author), Northwestern Univ, Inst Bioengn & Nanosci Adv Med, Chicago, IL 60611 USA. FU NIDCR NIH HHS [DE01374, DE07201, KO8-DE00424] NR 46 TC 53 Z9 54 U1 3 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD JUL PY 2002 VL 139 IS 1 BP 1 EP 12 AR PII S1047-8477(02)00500-2 DI 10.1016/S1047-8477(02)00500-2 PG 12 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 612JB UT WOS:000179070000001 PM 12372315 ER PT J AU Marinkovic, NS Huang, R Bromberg, P Sullivan, M Toomey, J Miller, LM Sperber, E Moshe, S Jones, KW Chouparova, E Lappi, S Franzen, S Chance, MR AF Marinkovic, NS Huang, R Bromberg, P Sullivan, M Toomey, J Miller, LM Sperber, E Moshe, S Jones, KW Chouparova, E Lappi, S Franzen, S Chance, MR TI Center for Synchrotron Biosciences' U2B beamline: an international resource for biological infrared spectroscopy SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE infrared spectroscopy; microscopy; biological imaging; bone; protein folding; nucleic acid dynamics ID WAX PRECIPITATION; BONE; RADIATION; MICROSPECTROSCOPY; CRYSTALLINITY; PERFORMANCE; ENVIRONMENT; MECHANISMS; MIXER; NSLS AB A synchrotron infrared (IR) beamline, U2B, dedicated to the biomedical and biological sciences has been constructed and is in operation at the National Synchrotron Light Source (NSLS) of Brookhaven National Laboratory. The facility is operated by the Center for Synchrotron Biosciences of the Albert Einstein College of Medicine in cooperation with the NSLS. Owing to the broadband nature of the synchrotron beam with brightness 1000 times that of conventional sources, Fourier transform IR spectroscopy experiments are feasible on diffraction-limited sample areas at high signal-to-noise ratios and with relatively short data-acquisition times. A number of synchrotron IR microscopy experiments that have been performed in the mid-IR spectral range (500-5000 cm(-1)) are summarized, including time-resolved protein-folding studies in the microsecond time regime, IR imaging of neurons, bone and other biological tissues, as well as imaging of samples of interest in the chemical and environmental sciences. Owing to the high flux output of this beamline in the far-IR region (50-500 cm(-1)), investigations of hydrogen bonding and dynamic molecular motions of biomolecules have been carried out from 10 to 300 K using a custom-made cryostat and an evacuated box. This facility is intended as an international resource for biological IR spectroscopy fully available to outside users based on competitive proposal. C1 Albert Einstein Coll Med, Ctr Synchrotron Biosci, Bronx, NY 10461 USA. Albert Einstein Coll Med, Dept Physiol & Biophys, Bronx, NY 10461 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Albert Einstein Coll Med, Dept Neurosci, Bronx, NY 10461 USA. Brookhaven Natl Lab, Dept Appl Sci, Upton, NY 11973 USA. N Carolina State Univ, Dept Chem, Raleigh, NC 27695 USA. RP Chance, MR (reprint author), Albert Einstein Coll Med, Ctr Synchrotron Biosci, 1300 Morris Pk Ave, Bronx, NY 10461 USA. RI Marinkovic, Nebojsa/A-1137-2016; OI Marinkovic, Nebojsa/0000-0003-3579-3453; Huang, Raymond/0000-0001-7661-797X FU NCRR NIH HHS [P41-RR-01633] NR 43 TC 66 Z9 66 U1 1 U2 8 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD JUL PY 2002 VL 9 BP 189 EP 197 DI 10.1107/S0909049502008543 PN 4 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 567DZ UT WOS:000176471300001 PM 12091724 ER PT J AU Dallera, C Grioni, M Shukla, A Vanko, G Sarrao, JL AF Dallera, C Grioni, M Shukla, A Vanko, G Sarrao, JL TI Truly bulk-sensitive spectroscopic measurements of valence in heavy fermion materials SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article; Proceedings Paper CT International Workshop on High-Resolution Photocmission Spectroscopy of Correlated Electron Systems CY JAN, 2002 CL OSAKA, JAPAN DE mixed valence; RIXS; heavy fermions; Kondo behaviour; ytterbium; rare earths; Anderson impurity model ID X-RAY-ABSORPTION; PHOTOEMISSION AB Intermediate valence is one of the typical phenomena of systems with strong electronic correlation. The Anderson impurity model predicts a scaling of the valence with the reduced temperature T/T-K, which is difficult to observe by traditional surface-sensitive electronic spectroscopies. This paper presents results obtained by resonant inelastic X-ray scattering (RIXS), a bulk-sensitive configuration- and chemical-specific technique. The temperature dependence of the valence of YbInCu4 and YbAgCu4 was measured by tuning the incident energy to the resonance of the Yb2+ spectral component. In the case of YbInCu4 a sharp valence transition, as known from thermodynamical measurements, has been found. The valence of YbAgCu4 reveals a smooth dependence consistent with a Kondo temperature T-K = 70 K. These findings establish RIXS as a powerful tool for measuring bulk electronic properties of solids. C1 Politecn Milan, Dipartimento Fis, INFM, I-20133 Milan, Italy. Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. European Synchrotron Radiat Facil, F-38043 Grenoble, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dallera, C (reprint author), Politecn Milan, Dipartimento Fis, INFM, I-20133 Milan, Italy. RI Shukla, Abhay/G-6753-2011; Vanko, Gyorgy/B-8176-2012 OI Vanko, Gyorgy/0000-0002-3095-6551 NR 9 TC 2 Z9 2 U1 0 U2 3 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD JUL PY 2002 VL 9 BP 242 EP 245 PN 4 PG 4 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 567DZ UT WOS:000176471300011 PM 12091734 ER PT J AU Warwick, T Ade, H Kilcoyne, D Kritscher, M Tylisczcak, T Fakra, S Hitchcock, A Hitchcock, P Padmore, H AF Warwick, T Ade, H Kilcoyne, D Kritscher, M Tylisczcak, T Fakra, S Hitchcock, A Hitchcock, P Padmore, H TI A new bend-magnet beamline for scanning transmission X-ray microscopy at the Advanced Light Source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE bend magnets; diffraction limit; zone plates; scanning; microscopy; NEXAFS AB The high brightness of the bend magnets at the Advanced Light Source has been exploited to illuminate a scanning transmission X-ray microscope (STXM). This is the first diffraction-limited scanning X-ray microscope to operate with a useful count rate on a synchrotron bend-magnet source. A simple dedicated beamline has been built covering the range of photon energy from 250 eV to 600 eV. The beamline is always available and needs little adjustment. Use of this facility is much easier than that of installations that share undulator beams. This facility provides radiation for C 1s, N 1s and O 1s near-edge X-ray absorption spectromicroscopy with STXM count rates in excess of 1 MHz and with spectral resolution typically 1:2000, limited to about 1:5000. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada. RP Warwick, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RI Ade, Harald/E-7471-2011; Kilcoyne, David/I-1465-2013 NR 9 TC 88 Z9 88 U1 1 U2 15 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD JUL PY 2002 VL 9 BP 254 EP 257 DI 10.1107/S0909049502005502 PN 4 PG 4 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 567DZ UT WOS:000176471300013 PM 12091736 ER PT J AU Young, AT Arenholz, E Marks, S Schlueter, R Steier, C Padmore, HA Hitchcock, AP Castner, DG AF Young, AT Arenholz, E Marks, S Schlueter, R Steier, C Padmore, HA Hitchcock, AP Castner, DG TI Variable linear polarization from an X-ray undulator SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE undulators; variable linear polarization; linear dichroism; carbon NEXAFS ID POLARIZING UNDULATOR; HELICAL UNDULATOR; LIGHT-SOURCE; RADIATION; BEAMLINE AB A new X-ray undulator has been designed and constructed which produces linearly polarized X-rays in which the plane of polarization can be oriented to a user selectable angle, from horizontal to vertical. Based on the Apple-II elliptically polarizing undulator (EPU), the undulator rotates the angle of the linear polarization by a simple longitudinal motion of the undulator magnets. Combined with the circular and elliptical polarization capabilities of the EPU operating in the standard mode, this new undulator produces soft X-ray radiation with versatile polarization control. This paper describes the magnetic structure of the device and presents an analysis of the magnetic field with varying undulator parameters. The variable linear polarization capability is then exhibited by measuring the X-ray absorption spectrum of an oriented polytetrafluoroethylene thin film. This experiment, which measures the linear dichroism of the sample at two peaks near the C 1s absorption edge, demonstrates the continuous polarization rotation capabilities of the undulator. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada. Univ Washington, Dept Chem Engn, Seattle, WA 98195 USA. RP Young, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. NR 17 TC 28 Z9 28 U1 0 U2 5 PU BLACKWELL MUNKSGAARD PI COPENHAGEN PA 35 NORRE SOGADE, PO BOX 2148, DK-1016 COPENHAGEN, DENMARK SN 0909-0495 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD JUL PY 2002 VL 9 BP 270 EP 274 DI 10.1107/S0909049502007161 PN 4 PG 5 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 567DZ UT WOS:000176471300016 PM 12091739 ER PT J AU Boyack, KW Wylie, BN Davidson, GS AF Boyack, KW Wylie, BN Davidson, GS TI Domain visualization using VxInsight (R) for science and technology management SO JOURNAL OF THE AMERICAN SOCIETY FOR INFORMATION SCIENCE AND TECHNOLOGY LA English DT Article ID INFORMATION-SCIENCE; CITATION; NETWORKS; DATABASE; CLASSIFICATION; SPACES; MAPS AB We present the application of our knowledge visualization tool, VxInsight(R), to enable domain analysis for science and technology management within the enterprise. Data mining from sources of bibliographic information is used to define subsets of information relevant to a technology domain. Relationships between the individual objects (e.g., articles) are identified using citations, descriptive terms, or textual similarities. Objects are then clustered using a force-directed placement algorithm to produce a terrain view of the many thousands of objects. A variety of features that allow exploration and manipulation of the landscapes and that give detail on demand, enable quick and powerful analysis of the resulting landscapes. Examples of domain analyses used in S&T management at Sandia are given. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800,MS-0318, Albuquerque, NM 87185 USA. EM kboyack@sandia.gov OI Boyack, Kevin/0000-0001-7814-8951 NR 29 TC 70 Z9 72 U1 7 U2 31 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1532-2882 EI 1532-2890 J9 J AM SOC INF SCI TEC JI J. Am. Soc. Inf. Sci. Technol. PD JUL PY 2002 VL 53 IS 9 BP 764 EP 774 DI 10.1002/asi.10066 PG 11 WC Computer Science, Information Systems; Information Science & Library Science SC Computer Science; Information Science & Library Science GA 564ME UT WOS:000176317500007 ER PT J AU Liu, YG Daum, PH Hallett, J AF Liu, YG Daum, PH Hallett, J TI A generalized systems theory for the effect of varying fluctuations on cloud droplet size distributions SO JOURNAL OF THE ATMOSPHERIC SCIENCES LA English DT Article ID CUMULUS CLOUDS; EFFECTIVE RADIUS; PART-II; SPECTRA; PRECIPITATION; CONDENSATION; MODEL; STRATOCUMULUS; ENTRAINMENT; TURBULENCE AB A systems theory has previously been developed by Liu and Hallett to interpret droplet size distributions in turbulent clouds by utilizing ideas from statistical physics and information theory. The present paper generalizes that systems theory to allow for varying fluctuations. The generalized theory provides a self-consistent theoretical framework for a wide range of fluctuations. It reduces to that presented previously when liquid water content is conserved, and becomes consistent with the uniform growth models for nonturbulent, adiabatic clouds. The theory indicates that there exists an important characteristic scale, defined as the saturation scale, beyond which droplet size distributions do not change with further increases in averaging scale, but below which droplet size distributions strongly depend on the scale over which they are sampled and are therefore ill-defined without an adequate specification of scale. It is further demonstrated that the saturation scale and the details of scale dependence depend on the level of fluctuations; stronger fluctuations lead to larger saturation scales and stronger scale dependency of droplet size distributions. The potential scale mismatch leads to issues regarding the comparability between models and observations, and the direct coupling of numerical models of different scales, which in turn underscores the significance of understanding and quantifying the scale dependence of droplet size distributions. The importance of fluctuations suggests the need to measure and analyze turbulence simultaneously and at the same scales with measurements of droplet size distributions in order to provide a practical limit to the sample size required to reach the saturation scale, and to specify the effect of turbulence. The ideas presented in this paper have general applications to fields where fluctuations exist. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. Univ Nevada, Desert Res Inst, Div Atmospher Sci, Reno, NV 89506 USA. RP Liu, YG (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Bldg 815E,75 Rutherford Dr, Upton, NY 11973 USA. RI Liu, Yangang/H-6154-2011 NR 68 TC 14 Z9 14 U1 2 U2 6 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0022-4928 J9 J ATMOS SCI JI J. Atmos. Sci. PD JUL PY 2002 VL 59 IS 14 BP 2279 EP 2290 DI 10.1175/1520-0469(2002)059<2279:AGSTFT>2.0.CO;2 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 564KA UT WOS:000176312500008 ER PT J AU Sun, X Yang, XQ Balasubramanian, M McBreen, J Xia, Y Sakai, T AF Sun, X Yang, XQ Balasubramanian, M McBreen, J Xia, Y Sakai, T TI In situ investigation of phase transitions of Li1+yMn2O4 spinel during Li-ion extraction and insertion SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID LITHIUM; CELLS; TEMPERATURE; LIMN2O4; CATHODE AB The electrochemical lithium-ion extraction/insertion properties of two spinel lithium manganese oxides, stoichiometric Li0.99Mn2O4 and lithium-rich Li1.04Mn1.93O4, were studied. Their voltage profile and cyclic voltammetry all show two-step reaction for lithium-ion extraction/insertion at their 4 V plateau. The high-resolution in situ X-ray diffraction (XRD) studies show both materials experience three cubic phases, cubic I, II, and III, during cycling at 4 V plateaus. Two two-phase coexistence regions were observed. These results show that phase transitions between cubic I and II and between cubic II and III are first-order transitions. The in situ XRD data also reveal that lithium-rich composition does not suppress the phase transitions of spinel between their three cubic phases, but leads to the increase of variation range of the lattice parameters of the cubic phases. This in turn reduces the jumping step of the lattice parameter between adjacent phases and increases the overlap of the adjacent phase. This study shows conclusively that the three-phase process is the intrinsic feature of spinel Li1+yMn2O4 during lithium-ion extraction/insertion on the 4 V plateau. (C) 2002 The Electrochemical Society. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Osaka Natl Res Inst, Ikeda, Osaka 563, Japan. RP Sun, X (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 17 TC 35 Z9 36 U1 2 U2 22 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PD JUL PY 2002 VL 149 IS 7 BP A842 EP A848 DI 10.1149/1.1481523 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 563JB UT WOS:000176251600009 ER PT J AU Peake, GM Cederberg, JG Hafich, MJ Kurtz, SR Biefeld, RM Palmasiano, MN AF Peake, GM Cederberg, JG Hafich, MJ Kurtz, SR Biefeld, RM Palmasiano, MN TI Common n- and p-contact for serial wiring of quaternary antimonide monolithic interconnected module thermophotovoltaic devices SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; MOLECULAR-BEAM EPITAXY; OHMIC CONTACTS; GASB; ALGAASSB; INGAASSB; AU AB A common contact to both n and p Ga-based antimonide materials has been developed for serial wiring of quaternary monolithic interconnected module thermophotovoltaic devices. The contact consists of a multilayer stack of Pd/Ge/Au/Ti/Au. Circular transmission line model measurements yield a specific contact resistance as low as 10(-5) Omega cm(2) for contacts to n-GaSb and 10(-4) Omega cm(2) for contacts to p-GaSb without annealing. Further reduction in specific contact resistance can be obtained for contacts annealed in nitrogen ambient for 10 s at 250-300degrees C. Cell isolation and thermophotovoltaic diodes fabricated using the five-layer metallization for both the p- and n-type contact exhibit current-voltage characteristics equivalent to diodes formed using multilayer metallization for the n-type contact and standard Ti/Au for the p- contact. While annealing improves contact properties, excessive annealing can lead to diffusion of the metallization into the semiconductor and lead to device degradation. (C) 2002 The Electrochemical Society. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Bechtel Bettis Inc, W Mifflin, PA 15122 USA. RP Peake, GM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 14 TC 8 Z9 8 U1 0 U2 0 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PD JUL PY 2002 VL 149 IS 7 BP G416 EP G419 DI 10.1149/1.1482058 PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 563JB UT WOS:000176251600057 ER PT J AU Beach, RJ Feit, MD Page, RH Brasure, LD Wilcox, R Payne, SA AF Beach, RJ Feit, MD Page, RH Brasure, LD Wilcox, R Payne, SA TI Scalable antiguided ribbon laser SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Article ID PHASE-LOCKED ARRAYS; PROPAGATING BEAM METHOD; FIBER LASER; OPTICAL FIBERS; MULTICORE FIBER; TALBOT; RESONATORS AB A new scalable fiber laser approach to phase locking of multiple gain cores in an antiguided structure is described and modeled. In essence, the waveguide comprises a periodic sequence of gain-loaded and no-gain segments that has a uniform refractive index (referred to as the ribbon) encapsulated within a reduced-index cladding region. Our calculations reveal that the constant-index profile within the ribbon structure provides optimal mode discrimination; the refractive index must be constant within +/-0.001 to ensure single-mode operation for a five-core design. One-dimensional and two-dimensional calculations are pursued to support the design criteria. Slight periodic variation in the refractive index of the ribbon laser leads to the emergence of a photonic bandgap, in analogy to so-called holey fibers. Our constant-index design, together with the periodic gain profile, may be described as a photonic metal. (C) 2002 Optical Society of America. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Beach, RJ (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. RI Feit, Michael/A-4480-2009 NR 26 TC 42 Z9 43 U1 1 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD JUL PY 2002 VL 19 IS 7 BP 1521 EP 1534 DI 10.1364/JOSAB.19.001521 PG 14 WC Optics SC Optics GA 573FG UT WOS:000176818200004 ER PT J AU McMasters, RL Zhou, ZF Dowding, KJ Somerton, C Beck, JV AF McMasters, RL Zhou, ZF Dowding, KJ Somerton, C Beck, JV TI Exact solution for nonlinear thermal diffusion and its use for verification SO JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER LA English DT Article AB An analytical solution is provided to the nonlinear diffusion equation, with the thermal conductivity given as a linear function of temperature. The derivation of the solution, and implications of it, are presented. The boundary and initial conditions associated with the solution provide applicability to specific cases. The solution is useful for verifying numerical (computer) solutions to thermal diffusion with temperature-dependent thermal conductivity. The (nonlinear) analytical solution is compared to a numerical solution from a finite element code to verify the accuracy of the code and to establish the order of convergence for the spatial discretization error. C1 Michigan State Univ, Dept Mech Engn, E Lansing, MI 48824 USA. Sandia Natl Labs, Validat & Uncertainty Quantificat Prod Dept 9133, Tech Staff, Albuquerque, NM 87185 USA. Michigan State Univ, Dept Math, E Lansing, MI 48824 USA. RP McMasters, RL (reprint author), Michigan State Univ, Dept Mech Engn, E Lansing, MI 48824 USA. NR 9 TC 7 Z9 7 U1 0 U2 2 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091 USA SN 0887-8722 J9 J THERMOPHYS HEAT TR JI J. Thermophys. Heat Transf. PD JUL-SEP PY 2002 VL 16 IS 3 BP 366 EP 372 DI 10.2514/2.6713 PG 7 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 575EU UT WOS:000176934400009 ER PT J AU Mirin, RP Roshko, A van der Puijl, M Norman, AG AF Mirin, RP Roshko, A van der Puijl, M Norman, AG TI Formation of InAs/GaAs quantum dots by dewetting during cooling SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 20th North American Conference on Molecular Beam Epitaxy CY OCT 01-03, 2001 CL BROWN UNIV, PROVIDENCE, RHODE ISLAND HO BROWN UNIV ID ENERGY ELECTRON-DIFFRACTION; MOLECULAR-BEAM EPITAXY; GROWTH; GAAS AB We describe a method to form InAs quantum dots on GaAs by cooling an InAs film that is deposited at high substrate temperatures. The reflection high-energy electron diffraction pattern taken after deposition of 1.9 monolayers of InAs on (100) GaAs at 540 degreesC does not display the characteristic spot pattern that is seen when three-dimensional islands form on the surface. The characteristic,spot pattern appears when the sample is cooled to about 330 degreesC, indicating that the three-dimensional islands appear at this temperature. Atomic force microscopy confirms the existence of the islands. An explanation for this behavior based on an increase in intermixing at the InAs/GaAs interface is proposed. (C) 2002 American Vacuum Society. C1 Natl Inst Stand & Technol, Div Optoelect, Boulder, CO 80305 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Mirin, RP (reprint author), Natl Inst Stand & Technol, Div Optoelect, 325 Broadway, Boulder, CO 80305 USA. RI Norman, Andrew/F-1859-2010; OI Norman, Andrew/0000-0001-6368-521X; Mirin, Richard/0000-0002-4472-4655 NR 10 TC 4 Z9 4 U1 0 U2 2 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JUL-AUG PY 2002 VL 20 IS 4 BP 1489 EP 1492 DI 10.1116/1.1495094 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 585ED UT WOS:000177510500036 ER PT J AU Schultz, BD Farrell, HH Evans, MMR Ludge, K Palmstrom, CJ AF Schultz, BD Farrell, HH Evans, MMR Ludge, K Palmstrom, CJ TI ErAs interlayers for limiting interfacial reactions in Fe/GaAs(100) heterostructures SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 29th Annual Conference on the Physics and Chemistry of Semiconductor Interfaces (PCSI-29) CY JAN 06-10, 2002 CL SANTA FE, NM SP AVS, Electr Mat & Processing Div, Off Naval Res, Army Res Off ID MEAN FREE PATHS; MOLECULAR-BEAM EPITAXY; FE FILMS; 50-2000-EV RANGE; GROWTH; GAAS; MORPHOLOGY; (100)GAAS; GAAS(001); PHASE AB In situ scanning tunneling microscopy and x-ray photoelectron spectroscopy were combined to examine the formation of the Fe/GaAs interface for Fe films grown on GaAs(100) As-rich surfaces by molecular beam epitaxy. Scanning tunneling microscopy images acquired following the growth of ultrathin layers of Fe on GaAs (2 X 4)/c(2 X 8)beta2 surfaces show the initial growth of Fe results in little disruption of the As-dimer rows located directly adjacent to the deposited Fe clusters for growth temperatures between -15 and 175 degreesC. X-ray photoemission spectra show the interfacial Fe-Ga-As reactions depend on the growth temperature and can be minimized by growing at temperatures below 95 degreesC. However, approximately 0.7 ML of As was found to segregate to the Fe surface during growth, independent of the growth temperature. Atomic layer-by-layer calculations of the normalized intensity curves obtained from x-ray photoemission were used to quantify the extent of the interfacial reactions as a function of growth temperature. A 5 ML thick (similar to14 Angstrom) ErAs interlayer was used as a diffusion barrier to further limit the Fe-Ga-As interfacial reactions. For Fe growth at 225 degreesC on ErAs interlayers, the extent of the interfacial reactions was found to be comparable with the extent of the reactions resulting from the growth of Fe directly on GaAs at -15 degreesC. Although the ErAs interlayers suppressed the reactions between Fe and GaAs at the interface, they were unable to significantly alter the amount of As segregating to the Fe surface during growth. (C) 2002 American Vacuum Society. C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Bechtel BWXT Idaho LLC, Idaho Natl Engn & Environm Lab, Idaho Falls, ID 83415 USA. Univ Wisconsin, Dept Phys & Astron, Eau Claire, WI 54702 USA. Tech Univ Berlin, Inst Festkorperphys, D-1000 Berlin, Germany. RP Univ Minnesota, Dept Chem Engn & Mat Sci, 421 Washington Ave SE, Minneapolis, MN 55455 USA. EM palms001@umn.edu NR 38 TC 34 Z9 34 U1 0 U2 2 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JUL-AUG PY 2002 VL 20 IS 4 BP 1600 EP 1608 DI 10.1116/1.1491994 PG 9 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 585ED UT WOS:000177510500057 ER PT J AU Wolff, JA Balsley, SD Gregory, RT AF Wolff, JA Balsley, SD Gregory, RT TI Oxygen isotope disequilibrium between quartz and sanidine from the Bandelier Tuff, New Mexico, consistent with a short residence time of phenocrysts in rhyolitic magma SO JOURNAL OF VOLCANOLOGY AND GEOTHERMAL RESEARCH LA English DT Article DE oxygen isotopes; isotopic disequilibrium; rhyolite; Valles caldera ID PLATEAU VOLCANIC FIELD; RIO-GRANDE RIFT; DIEGO CANYON IGNIMBRITES; LOW-O-18 SILICIC MAGMAS; VALLES-CALDERA; JEMEZ MOUNTAINS; IGNEOUS ROCKS; AR-40/AR-39 GEOCHRONOLOGY; HYDROTHERMAL ALTERATION; CRUSTAL CONTAMINATION AB Oxygen isotope analyses are reported from co-existing quartz and feldspar from the Bandelier Tuff and Cerro Toledo high-silica rhyolitic pyroclastic deposits erupted from the Valles caldera, New Mexico. Quartz shows little variation outside analytical error, but delta(18)O in feldspar varies over > 1parts per thousand. In most samples, O-18/O-16 fractionation between quartz and feldspar is significantly less than is predicted for equilibrium at temperatures appropriate for rhyolitic magma. In the Tshirege (upper) Member of the Bandelier Tuff, isotopic fractionation between mineral pairs is close to equilibrium in the later erupted ignimbrite, but non-equilibrium in the initial Plinian deposit. These relationships are interpreted in terms of a model where most phenocrysts are derived from a highly porphyritic carapace around the magma chamber that was disrupted by eruption, thus scattering crystals throughout the magma. Carapace quartz and feldspar are initially isotopically lighter than the bulk aphyric magma, due to chemical communication with low-delta(18)O country rock in the meteoric/hydrothermal system surrounding the chamber. We assume that quartz and feldspar were initially in isotopic equilibrium. Diffusive re-equilibration of crystals begins when the carapace disintegrates and the minerals are immersed in the bulk magma just prior to and during eruption. Feldspar is isotopically lighter than quartz at equilibrium, but responds more rapidly than quartz to an external change, due to a higher diffusion coefficient for oxygen. Hence, immersion in the isotopically heavier bulk magma causes feldspar and quartz delta(18)O values to initially converge over similar to 10(2) years, and then diverge over 10(3)-10(4) years as first feldspar, and then quartz, re-equilibrate with the new magma. Higher delta(18)O variability of feldspar than quartz indicates that the shorter timescale applies to the Bandelier and Cerro Toledo rhyolites. Two important implications of this interpretation are (1) that the Bandelier magmas developed in an aphyric condition, and their porphyritic character is an artifact of eruption; and (2) that a protective, mechanically rigid cognate carapace around a silicic magma chamber may limit interaction with low-delta(18)O hydrothermally altered crust, thus hindering the development of significant volumes of low-delta(18)O silicic magma. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Washington State Univ, Dept Geol, Pullman, WA 99164 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. So Methodist Univ, Dept Geol Sci, Stable Isotope Lab, Dallas, TX 75275 USA. RP Wolff, JA (reprint author), Washington State Univ, Dept Geol, Pullman, WA 99164 USA. NR 75 TC 16 Z9 17 U1 2 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-0273 J9 J VOLCANOL GEOTH RES JI J. Volcanol. Geotherm. Res. PD JUL PY 2002 VL 116 IS 1-2 BP 119 EP 135 AR PII S0377-0273(02)00214-7 DI 10.1016/S0377-0273(02)00214-7 PG 17 WC Geosciences, Multidisciplinary SC Geology GA 577PC UT WOS:000177069500007 ER PT J AU Gaines, KF Romanek, CS Boring, CS Lord, CG Gochfeld, M Burger, J AF Gaines, KF Romanek, CS Boring, CS Lord, CG Gochfeld, M Burger, J TI Using raccoons as an indicator species for metal accumulation across trophic levels: a stable isotope approach SO JOURNAL OF WILDLIFE MANAGEMENT LA English DT Article DE bioaccumulation; biomagnification; contaminant; metals; nitrogen isotope; Procyon lotor; raccoon; South Carolina; stable isotope; trophic transfer ID CONTAMINATED GRASSLAND ECOSYSTEM; FOOD-CHAINS; COAL ASH; MERCURY CONCENTRATIONS; NITROGEN ISOTOPES; DIET; ECOTOXICOLOGY; RADIOCESIUM; SEDIMENTS; ECOLOGY AB The fact that raccoons (Procion lotor) are all opportunistic omnivore has severely complicated interpretations of contaminant uptake patterns due to the inability to determine the trophic position all individual Occupies. Moreover, few Studies have examined the relationships between heavy metal bioaccumulation and trophic structure, especially in the terrestrial environment. In this study, the stable isotopes of nitrogen were used to characterize the feeding habits of the raccoon at the Population level and to determine whether metal burden was related to trophic feeding structure within a well-defined ecosystem. Raccoon populations were isotopically distinct, and significant positive relationships existed between some trace element contents and delta(15)N Of muscle when site was used as a covariable in a statistical model. Although the transfer of metals through terrestrial ecosystems is complex, our study showed that some of the variation in contaminant body burdens in raccoon Populations can be attributed to trophic feeding position and that N-15/N-14 ratios of muscle tissue provide a quantitative measure of this process. The potential for using omnivores such as the raccoon, as a sentinel species for contaminant studies, Should be explored further since the ambiguity of the relative trophic level all animal occupies call be directly estimated. This provides a more extensive sampling across trophic levels using a single species, which can have broad consequences for ecological risk assessments. C1 Savannah River Ecol Lab, Aiken, SC 29802 USA. Univ Georgia, Dept Geol, Athens, GA 30602 USA. Rutgers State Univ, Nelson Biol Labs, Piscataway, NJ 08855 USA. Rutgers State Univ, Environm & Occupat Hlth Sci Inst, Piscataway, NJ 08855 USA. RP Gaines, KF (reprint author), Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. NR 56 TC 11 Z9 12 U1 6 U2 31 PU WILDLIFE SOC PI BETHESDA PA 5410 GROSVENOR LANE, BETHESDA, MD 20814-2197 USA SN 0022-541X J9 J WILDLIFE MANAGE JI J. Wildl. Manage. PD JUL PY 2002 VL 66 IS 3 BP 811 EP 821 DI 10.2307/3803145 PG 11 WC Ecology; Zoology SC Environmental Sciences & Ecology; Zoology GA 584PG UT WOS:000177475600023 ER PT J AU Trendafilov, NT Lippert, RA AF Trendafilov, NT Lippert, RA TI The multimode Procrustes problem SO LINEAR ALGEBRA AND ITS APPLICATIONS LA English DT Article DE multidimensional data arrays; principal components; constrained optimization; manifold of orthogonal and oblique matrices; dynamical system on product manifold; Riemannian connection; optimality conditions ID MATRICES; ROTATION AB In this paper, we consider a generalization of the well-known Procrustes problem relevant to principal component analysis of multidimensional data arrays. This multimode Procrustes problem is a complex constrained minimization problem which involves the simultaneous least-squares fitting of several matrices. We propose two solutions of the problem: the projected gradient approach which leads to solving ordinary differential equations on matrix manifolds, and differential-geometric approach for optimization on products of matrix manifolds. A numerical example concerning the three-mode Procrustes illustrates the developed algorithms. (C) 2002 Elsevier Science Inc. All rights reserved. C1 Univ Strathclyde, Dept Engn Mech, Glasgow G1 1XJ, Lanark, Scotland. Sandia Natl Labs, Appl Math & Numer Methods Dept, Albuquerque, NM 87185 USA. RP Trendafilov, NT (reprint author), Univ Strathclyde, Dept Engn Mech, Glasgow G1 1XJ, Lanark, Scotland. EM i.trendafilova@mecheng.strath.ac.uk; ripper@cs.sandia.gov NR 23 TC 18 Z9 19 U1 0 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0024-3795 EI 1873-1856 J9 LINEAR ALGEBRA APPL JI Linear Alg. Appl. PD JUL 1 PY 2002 VL 349 BP 245 EP 264 AR PII S0024-3795(02)00253-7 DI 10.1016/S0024-3795(02)00253-7 PG 20 WC Mathematics, Applied; Mathematics SC Mathematics GA 558ME UT WOS:000175946900015 ER PT J AU Gnezdilov, VP Yeremenko, AV Pashkevich, YG Lemmens, P Guntherodt, G Tranquada, JM Buttrey, DJ Nakajima, K AF Gnezdilov, VP Yeremenko, AV Pashkevich, YG Lemmens, P Guntherodt, G Tranquada, JM Buttrey, DJ Nakajima, K TI Electronic Raman scattering through a stripe ordering transition in La2-xSrxNiO4 SO LOW TEMPERATURE PHYSICS LA English DT Article ID HIGH-T(C) SUPERCONDUCTORS; CHARGE; SPIN; CONDUCTIVITY; PSEUDOGAP; LA1.67SR0.33NIO4; SPECTROSCOPY; LA2NIO4.125; INSULATOR; TRANSPORT AB We describe the results of electronic Raman scattering experiments in two differently doped single crystals of La2-xSrxNiO4 (x=0.225 and 1/3). In B-1g symmetry a crossover from weakly interacting to pseudogap-like behavior is observed at a charge-ordering temperature T-co. In B-2g symmetry a redistribution of electronic continua with decreasing temperature is accompanied by a loss of spectral weight below T-co in the low-frequency region due to opening of a pseudogap. The slope of the Raman response at vanishing frequencies is investigated, too. Its temperature behavior in B-2g symmetry, which predominantly selects charge carriers with momenta along the diagonals of the NiO2 bonds, provides clear evidence for one-dimensional charge transport in the charge-ordered phase. (C) 2002 American Institute of Physics. C1 Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine. Natl Acad Sci Ukraine, A Galkin Donetsk Physicotech Inst, UA-83114 Donetsk, Ukraine. Rhein Westfal TH Aachen, Inst Phys, D-52056 Aachen, Germany. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Delaware, Newark, DE 19716 USA. Univ Tokyo, Neutron Scattering Lab, ISSP, Tokai, Ibaraki, Japan. RP Gnezdilov, VP (reprint author), Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, 47 Lenin Ave, UA-61103 Kharkov, Ukraine. RI Tranquada, John/A-9832-2009; Lemmens, Peter /C-8398-2009 OI Tranquada, John/0000-0003-4984-8857; Lemmens, Peter /0000-0002-0894-3412 NR 32 TC 6 Z9 6 U1 2 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 1063-777X J9 LOW TEMP PHYS+ JI Low Temp. Phys. PD JUL PY 2002 VL 28 IS 7 BP 510 EP 515 DI 10.1063/1.1496659 PG 6 WC Physics, Applied SC Physics GA 577BY UT WOS:000177042900005 ER PT J AU Horpynyuk, O Nemoshkalenko, VV Antonov, VN Harmon, BN Yaresko, AN AF Horpynyuk, O Nemoshkalenko, VV Antonov, VN Harmon, BN Yaresko, AN TI Electronic structure and magneto-optical Kerr effect in the compound UCuP2 SO LOW TEMPERATURE PHYSICS LA English DT Article ID CALCULATED OPTICAL-PROPERTIES; ACTINIDE METALS; ORBITAL POLARIZATION; CRYSTAL-STRUCTURE; URANIUM-COMPOUNDS; 5F ELECTRONS; SPECTRA; PNICTIDES; PLUTONIUM; SYSTEMS AB The optical and magneto-optical (MO) spectra of the fernary compound UCuP2 are investigated from first principles, using the fully relativistic Dirac linear-muffin-tin-orbital band structure method and density-functional theory in the local spin-density approximation. Within a band-like description of the 5f electrons, good agreement with the measured MO spectra is obtained. The origin of the Kerr rotation in the compound is examined. (C) 2002 American Institute of Physics. C1 Inst Phys Met, UA-252142 Kiev, Ukraine. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Max Planck Inst, CPFS, D-01187 Dresden, Germany. RP Horpynyuk, O (reprint author), Inst Phys Met, 36 Vernadsky Str, UA-252142 Kiev, Ukraine. EM anton@caskad.imp.kiev.ua NR 54 TC 2 Z9 2 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 1063-777X EI 1090-6517 J9 LOW TEMP PHYS+ JI Low Temp. Phys. PD JUL PY 2002 VL 28 IS 7 BP 533 EP 538 DI 10.1063/1.1496663 PG 6 WC Physics, Applied SC Physics GA 577BY UT WOS:000177042900009 ER PT J AU Tseng, YJ Chu, WC Chung, WY Guo, WY Kao, YH Wang, J Huang, SC AF Tseng, YJ Chu, WC Chung, WY Guo, WY Kao, YH Wang, J Huang, SC TI The role of dose distribution gradient in the observed ferric ion diffusion time scale in MRI-Fricke-infused gel dosimetry SO MAGNETIC RESONANCE IMAGING LA English DT Article DE MRI-Fricke-infused gel dosimetry; radiation dosimetry; ferric ion diffusion; gamma knife radiosurgery; stereotactic radiosurgery ID FERROUS SULFATE GEL; NUCLEAR-MAGNETIC-RESONANCE; RADIATION-DOSIMETRY; CONFORMAL RADIOTHERAPY; NMR DOSIMETRY; AGAROSE GELS; COEFFICIENT; ACCURACY AB Ferric ion diffusion is a detrimental factor in MRI-Fricke-infused gel dosimetry. In this study, a novel approach involving MR image subtraction and a fast image-based dosimetry technique to study ferric ion diffusion effects is presented. The fast image-based approach allows studying dose profile degradation within minutes post-irradiation. The relationship between the rate of dose profile deterioration and dose distribution gradients can be elucidated with the improved imaging temporal resolution also. Our results showed that for a dose distribution with gradient 4 Gy/mm or higher, ferric ion diffusion causes apparent dose profile degradation in 0.5-1 It post-irradiation. For a gradual dose gradient change of 2.1 Gy/mm or smaller, dose profile degradation appears insignificant for a two-hour elapsed diffusion time. These observations agree well with the theoretical analysis of a square dependence between dose profile degradation and dose distribution gradient. Because all stereotactic radiosurgery procedures produce steep dose distributions and because the ideal "snapshot" of MR scanning cannot be achieved, knowledge of the ferric ion diffusion time scale is important in experimental designs in order to avoid potential measurement errors in MRI-Fricke-agarose gel dosimetry. (C) 2002 Elsevier Science Inc. All rights reserved. C1 Natl Yang Ming Univ, Dept Biomed Engn, Taipei 112, Taiwan. Natl Yang Ming Univ, Inst Radiol Sci, Taipei 112, Taiwan. Vet Gen Hosp, Dept Radiol, Taipei, Taiwan. Acad Sinica, Inst Atom & Mol Sci, Taipei, Taiwan. Natl Taiwan Univ, Dept Elect Engn, Taipei 10764, Taiwan. Natl Taiwan Univ, Grad Inst Electroopt Engn, Taipei 10764, Taiwan. Univ Calif Los Angeles, Sch Med, Dept Mol & Med Pharmacol, Los Angeles, CA USA. Univ Calif Los Angeles, Sch Med, Lab Struct Biol & Mol Med, DOE, Los Angeles, CA USA. RP Chu, WC (reprint author), Natl Yang Ming Univ, Dept Biomed Engn, Pei Tou, Taipei 112, Taiwan. RI Wang, Jyhpyng/F-7915-2012 NR 32 TC 11 Z9 11 U1 1 U2 3 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0730-725X J9 MAGN RESON IMAGING JI Magn. Reson. Imaging PD JUL PY 2002 VL 20 IS 6 BP 495 EP 502 AR PII S0730-725X(02)00522-2 DI 10.1016/S0730-725X(02)00522-2 PG 8 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 602WR UT WOS:000178527900007 PM 12361797 ER PT J AU Balasundaram, A Shan, ZH Gokhale, AM Graham, S Horstemeyer, MF AF Balasundaram, A Shan, ZH Gokhale, AM Graham, S Horstemeyer, MF TI Particle rotations during plastic deformation of 5086 aluminum alloy SO MATERIALS CHARACTERIZATION LA English DT Article DE particle rotation; image analysis; aluminum alloy; plastic deformation AB Particle fracture is an important void nucleation mode in numerous alloys where fracture is governed by void nucleation and growth processes. The rotations of brittle phase inclusions/particles can facilitate particle cracking (and, therefore, void nucleation) by bringing the inclusions/particles in favorable orientations with respect to the applied/induced tensile load, thereby increasing the void nucleation rate. In this contribution, we present detailed quantitative microstructural data on the rotations of Fe-rich inclusions in a 5086 (O) Al-alloy as a function of strain and stress states. These results are compared with our earlier data on particle rotations in 6061 (T6) Al-alloy, and the differences are explained on the basis of differences in the microstructure and constitutive behavior of the two alloys. (C) 2002 Published by Elsevier Science Inc. C1 Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Sandia Natl Labs, Livermore, CA 94550 USA. RP Gokhale, AM (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, 771 Ferst Dr, Atlanta, GA 30332 USA. OI Horstemeyer, Mark/0000-0003-4230-0063 NR 8 TC 7 Z9 7 U1 0 U2 5 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 J9 MATER CHARACT JI Mater. Charact. PD JUL PY 2002 VL 48 IS 5 BP 363 EP 369 AR PII S1044-5803(02)00280-2 DI 10.1016/S1044-5803(02)00280-2 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA 620GY UT WOS:000179526700001 ER PT J AU Wadsworth, J Sherby, OD AF Wadsworth, J Sherby, OD TI Letter to the editor SO MATERIALS CHARACTERIZATION LA English DT Letter ID DAMASCUS STEELS C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Stanford Univ, Stanford, CA 94305 USA. RP Wadsworth, J (reprint author), Lawrence Livermore Natl Lab, POB 808 L-001, Livermore, CA 94551 USA. NR 7 TC 2 Z9 2 U1 2 U2 8 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1044-5803 J9 MATER CHARACT JI Mater. Charact. PD JUL PY 2002 VL 48 IS 5 BP 427 EP 428 AR PII S1044-5803(02)00244-9 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Materials Science, Characterization & Testing SC Materials Science; Metallurgy & Metallurgical Engineering GA 620GY UT WOS:000179526700008 ER PT J AU Koike, T Watanabe, S Hoshino, M Suda, T Ohnuki, S Takahashi, H Lam, NQ AF Koike, T Watanabe, S Hoshino, M Suda, T Ohnuki, S Takahashi, H Lam, NQ TI Dynamical study of spatio-temporal structural fluctuations in the intermetallic compound nickel-titanium during radiation-induced crystalline-to-amorphous transformation SO MATERIALS TRANSACTIONS LA English DT Article DE radiation-induced amorphization; fluctuation; disordering; nickel-titanium; molecular dynamics; high-voltage electron microscopy ID INDUCED AMORPHIZATION; ELECTRON-IRRADIATION; MOLECULAR-DYNAMICS AB We have studied nanostructural fluctuations during electron irradiation in the ordered intermetallic compound NiTi by performing irradiation experiments with a high-resolution high-voltage electron microscope (HVEM) and molecular dynamics (MD) simulations. It was observed that atom clusters formed and disappeared repeatedly during irradiation, which results in the structural fluctuation. Comparing the experimental results with the MD simulations, we conclude that such spatio-temporal structural fluctuations under irradiation can be accounted for the evolution of metastable nanoclusters. The present study demonstrates the usefulness of high-resolution HVEM for in situ studies of dynamic, nanoscale fluctuation phenomena. C1 Hokkaido Univ, Grad Sch Engn, Div Mat Sci, Sapporo, Hokkaido 0608628, Japan. Hokkaido Univ, Ctr Adv Res Energy Technol, Sapporo, Hokkaido 0608628, Japan. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Koike, T (reprint author), Hokkaido Univ, Grad Sch Engn, Div Mat Sci, Sapporo, Hokkaido 0608628, Japan. RI seiichi, watanabe/E-2622-2012 NR 9 TC 8 Z9 8 U1 1 U2 3 PU JAPAN INST METALS PI SENDAI PA 1-14-32, ICHIBANCHO, AOBA-KU, SENDAI, 980-8544, JAPAN SN 1345-9678 EI 1347-5320 J9 MATER TRANS JI Mater. Trans. PD JUL PY 2002 VL 43 IS 7 BP 1716 EP 1718 DI 10.2320/matertrans.43.1716 PG 3 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 581UY UT WOS:000177313200057 ER PT J AU Nelson, PW Perelson, AS AF Nelson, PW Perelson, AS TI Mathematical analysis of delay differential equation models of HIV-1 infection SO MATHEMATICAL BIOSCIENCES LA English DT Article DE HIV-1; delay differential equations; combination antiviral therapy; T cells; stability analysis ID DYNAMICS IN-VIVO; IMMUNODEFICIENCY-VIRUS TYPE-1; HEPATITIS-B VIRUS; VIRAL DYNAMICS; INTRACELLULAR DELAY; CLEARANCE RATE; T-CELLS; THERAPY; DECAY; RESISTANCE AB Models of HIV-1 infection that include intracellular delays are more accurate representations of the biology and change the estimated values of kinetic parameters when compared to models without delays. We develop and analyze a set of models that include intracellular delays, combination antiretroviral therapy, and the dynamics of both infected and uninfected T cells. We show that when the drug efficacy is less than perfect the estimated value of the loss rate of productively infected T cells, delta, is increased when data is fit with delay models compared to the values estimated with a non-delay model. We provide a mathematical justification for this increased value of delta. We also provide some general results on the stability of non-linear delay differential equation infection models. (C) 2002 Elsevier Science Inc. All rights reserved. C1 Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA. Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Nelson, PW (reprint author), Univ Michigan, Dept Math, 525 E Univ,3071 E Hall, Ann Arbor, MI 48109 USA. FU NCRR NIH HHS [RR06555]; NIAID NIH HHS [AI28433] NR 34 TC 195 Z9 204 U1 4 U2 12 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0025-5564 J9 MATH BIOSCI JI Math. Biosci. PD JUL-AUG PY 2002 VL 179 IS 1 BP 73 EP 94 AR PII S0025-5564(02)00099-8 DI 10.1016/S0025-5564(02)00099-8 PG 22 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 568FG UT WOS:000176531300004 PM 12047922 ER PT J AU Megerle, M Sick, V Reuss, DL AF Megerle, M Sick, V Reuss, DL TI Measurement of digital particle image velocimetry precision using electro-optically created particle-image displacements SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 4th International Symposium on Particle Image Velocimetry CY SEP 17-19, 2001 CL GOTTINGEN, GERMANY DE digital particle image velocimetry; measurement precision; measurement uncertainty AB The displacement (velocity) precision achieved with digital particle image velocimetry (PIV) was measured. The purpose of this work was to determine the precision and sensitivity of digital PIV using real rather than theoretical images at I and 2 mm spatial resolution. The displacement measurement precision was determined by measuring the RMS noise from 60 identical displacement distributions. This work is unique in that it uses electro-optical image shifting to create a repeatable image displacement distribution of random particle fields. The displacement variance between images is caused by the shot-to-shot variation in: (1) the particle-image fields, (2) the camera noise and (3) the variance in the correlation peak detection. In addition to magnification variations, the particle-number density, imaging-lens f-stop and image-plane position errors were varied to determine the best configuration. The results indicate that both the ensemble-mean and the RMS fluctuations of the image displacements are affected by these parameters and comparisons with results found in the literature are presented. The extents of these variations are quantified. This variance does not, of course, include errors due to random gradients and out-of-plane pairing losses, which exist in real turbulent flows. C1 Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. GM Corp, R&D Ctr, Warren, MI 48090 USA. RP Univ Michigan, Dept Mech Engn, 2202 GG Brown Bldg,2350 Hayward St, Ann Arbor, MI 48109 USA. EM mvmeger@sandia.gov; vsick@umich.edu; david.l.reuss@gm.com RI Sick, Volker/A-3987-2008 OI Sick, Volker/0000-0001-5756-9714 NR 9 TC 19 Z9 19 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD JUL PY 2002 VL 13 IS 7 BP 997 EP 1005 AR PII S0957-0233(02)31367-5 DI 10.1088/0957-0233/13/7/305 PG 9 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 577YN UT WOS:000177090800007 ER PT J AU Reuss, DL Megerle, M Sick, V AF Reuss, DL Megerle, M Sick, V TI Particle-image velocimetry measurement errors when imaging through a transparent engine cylinder SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 4th International Symposium on Particle Image Velocimetry CY SEP 17-19, 2001 CL GOTTINGEN, GERMANY DE digital particle image velocimetry; measurement precision AB When making particle-image velocimetry measurements through the quartz cylinder of a reciprocating engine, the particle images are aberrated. This work quantifies the practical field-of-view and the errors in the velocity measurements caused by those aberrations. Electro-optical image shifting was used to create a repeatable particle-image displacement distribution for 60 images. Ensemble averaging of these images is used to quantify the rms errors due to the shot-to-shot variation in (1) the particle-image fields, (2) the camera noise, (3) the variance in the correlation-peak detection and (4) the particle-image aberrations. These results demonstrate that the field-of-view is restricted to the centre 66 mm of the 86 mm inside-diameter cylinder due to decreased accuracy, decreased image-to-image precision and decreased displacement-peak delectability of the image-displacement correlation. The correlation-peak detectability was degraded by both particle-image aberrations and decreased transmission of the scattered light. C1 GM Corp, Ctr Res & Dev, Warren, MI 48090 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. RP GM Corp, Ctr Res & Dev, 30500 Mound Rd,Mail Code 480-106-252, Warren, MI 48090 USA. EM david.l.reuss@gm.com; mvmeger@ca.sandia.gov; vsick@umich.edu RI Sick, Volker/A-3987-2008 OI Sick, Volker/0000-0001-5756-9714 NR 9 TC 17 Z9 17 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD JUL PY 2002 VL 13 IS 7 BP 1029 EP 1035 AR PII S0957-0233(02)31488-7 DI 10.1088/0957-0233/13/7/309 PG 7 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 577YN UT WOS:000177090800011 ER PT J AU Han, Q Viswanathan, S AF Han, Q Viswanathan, S TI Hydrogen evolution during directional solidification and its effect on porosity formation in aluminum alloys SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article AB Most of the models for predicting porosity formation in aluminum alloy castings use a simple mass balance, such as the lever rule, to track hydrogen enrichment in the interdendritic liquid. However, the hydrogen concentration predicted by the lever rule is typically too low to satisfy the threshold concentration for pore nucleation based on classical nucleation and growth theory. As a result, important features of microporosity such as the size and spacing, of pore S cannot be treated properly. In this article, the hydrogen concentration during the directional solidification of an Al-4.5 pet Cu alloy is calculated, assuming hydrogen rejection during solidification and diffusion in the mushy zone. The calculation shows that the use of the lever rule greatly underestimates the hydrogen concentration at the eutectic front. This is due to the fact that the eutectic front also rejects hydrogen and that this is not considered in the use of the lever rule. Results of numerical simulations that consider hydrogen rejection and diffusion are compared with results obtained using the lever rule. The comparison indicates that actual hydrogen concentrations may be orders of magnitude higher than that predicted by the lever rule. It is suggested that the lever rule should not be used in predicting porosity nucleation. The model outlined in this article is used to propose and explain the formation of a wavelike distribution of pores during directional solidification. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Han, Q (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 17 TC 29 Z9 31 U1 0 U2 8 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1073-5623 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD JUL PY 2002 VL 33 IS 7 BP 2067 EP 2072 DI 10.1007/s11661-002-0038-0 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 568FW UT WOS:000176532600018 ER PT J AU Aleon, J McKeegan, KD Hutcheon, ID Wasserburg, GJ AF Aleon, J McKeegan, KD Hutcheon, ID Wasserburg, GJ TI Excesses of S-36 in sulfide-bearing Ca-Al-rich inclusions from allende. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID ASSEMBLAGES; ORIGIN C1 CALTECH, Pasadena, CA 91125 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Los Angeles, Dept Earth & Space Sci, Los Angeles, CA 90024 USA. RI McKeegan, Kevin/A-4107-2008 OI McKeegan, Kevin/0000-0002-1827-729X NR 7 TC 0 Z9 0 U1 0 U2 1 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A10 EP A10 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700005 ER PT J AU Boynton, WV Feldman, WC Mitrofanov, I Evans, LG Reedy, C Squyres, SW Starr, R Trombka, JI d'Uston, C Arnold, JR Englert, PAJ Metzger, AE Wanke, H Bruckner, J Drake, DM Shinohara, C Fellows, C Hamara, DK Harshman, K AF Boynton, WV Feldman, WC Mitrofanov, I Evans, LG Reedy, C Squyres, SW Starr, R Trombka, JI d'Uston, C Arnold, JR Englert, PAJ Metzger, AE Wanke, H Bruckner, J Drake, DM Shinohara, C Fellows, C Hamara, DK Harshman, K TI Early results of the Mars Odyssey gamma-ray spectrometer (GRS): Ice and other cool stuff. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Univ Arizona, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Space Res Inst, Moscow, Russia. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ New Mexico, Albuquerque, NM 87131 USA. Cornell Univ, Ithaca, NY 14853 USA. Univ Calif San Diego, San Diego, CA 92103 USA. Victoria Univ Wellington, Wellington, New Zealand. CALTECH, Jet Prop Lab, Pasadena, CA USA. Max Planck Inst Chem, D-55128 Mainz, Germany. NR 0 TC 1 Z9 1 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A21 EP A21 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700026 ER PT J AU Bradley, JP Dai, ZR Joswiak, D Brownlee, DE Hill, HGM Genge, MM AF Bradley, JP Dai, ZR Joswiak, D Brownlee, DE Hill, HGM Genge, MM TI Some diamonds may not be forever. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID INTERPLANETARY DUST PARTICLES; MINERALOGY C1 Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. Georgia Inst Technol, Atlanta, GA 30332 USA. Univ Washington, Seattle, WA 98195 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Nat Hist Museum, London SW7 5BD, England. RI Dai, Zurong/E-6732-2010 NR 4 TC 0 Z9 0 U1 0 U2 1 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A21 EP A21 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700027 ER PT J AU Brearley, AJ Jones, CL AF Brearley, AJ Jones, CL TI Aqueous alteration of FeO-rich olivine: Insights from experimental alteration of allende. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID CARBONACEOUS CHONDRITE C1 Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. Los Alamos Natl Lab, EET, Los Alamos, NM 87545 USA. NR 5 TC 17 Z9 17 U1 0 U2 2 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A23 EP A23 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700031 ER PT J AU Brearley, AJ Hutcheon, ID AF Brearley, AJ Hutcheon, ID TI Carbonates in the Y791198CM2 chondrite: Zoning and MN-CR systematics. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. Lawrence Livermore Natl Lab, Analyt & Nucl Chem Div, Livermore, CA 94551 USA. NR 5 TC 17 Z9 17 U1 0 U2 2 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A23 EP A23 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700030 ER PT J AU Brownlee, DE Joswiak, DJ Kress, ME Matrajt, G Taylor, S Bradley, J AF Brownlee, DE Joswiak, DJ Kress, ME Matrajt, G Taylor, S Bradley, J TI Carbonaceous matter in microgram and nanogram meteoroids. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Univ Washington, Dept Astron, Seattle, WA 98195 USA. CRREL, Hanover, NH 03755 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. NR 4 TC 3 Z9 3 U1 1 U2 1 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A26 EP A26 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700036 ER PT J AU Feldman, WC AF Feldman, WC TI Global distribution of neutrons from Mars: Initial results from Mars Odyssey. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A46 EP A46 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700076 ER PT J AU Goodrich, CA Hutcheon, ID Keil, K AF Goodrich, CA Hutcheon, ID Keil, K TI Mn-53-Cr-53 age of a highly-evolved, igneous lithology in polymict ureilite DaG 165. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID SYSTEMATICS C1 Univ Hawaii Manoa, HIGP, Honolulu, HI 96822 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. NR 5 TC 16 Z9 16 U1 1 U2 2 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A54 EP A54 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700093 ER PT J AU Nishiizumi, K Caffee, MW AF Nishiizumi, K Caffee, MW TI Exposure histories of C2 carbonaceous chondrites. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID ASTEROID BELT; METEORITES C1 Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. Lawrence Livermore Natl Lab, CAMS, Livermore, CA 94551 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. NR 6 TC 4 Z9 4 U1 0 U2 0 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A109 EP A109 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700201 ER PT J AU Pellin, MJ Savina, MR Tripa, E Calaway, WF Davis, AM Lewis, RS Amari, S Clayton, RN AF Pellin, MJ Savina, MR Tripa, E Calaway, WF Davis, AM Lewis, RS Amari, S Clayton, RN TI C, N, Si, Fe, Sr, Zr, Mo and Ba isotopic analyses of type X murchison SiC grains: Experimental evidence for a new type of stellar nucleosynthesis in supernovae. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract ID PRIMITIVE METEORITES; SILICON-CARBIDE; NEUTRON BURST C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. Univ Chicago, Dept Chem, Chicago, IL 60637 USA. Washington Univ, McDonnell Ctr Space Sci, St Louis, MO 63130 USA. RI Pellin, Michael/B-5897-2008 OI Pellin, Michael/0000-0002-8149-9768 NR 9 TC 4 Z9 4 U1 0 U2 2 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A115 EP A115 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700213 ER PT J AU Perl, ML AF Perl, ML TI Searching for fractional charge elementary particles in meteoritic material. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A116 EP A116 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700215 ER PT J AU Russell, CT Coradini, A Feldman, WC Jaumann, R Konopliv, AS McCord, TB McFadden, LA McSween, HY Mottola, S Neukum, G Pieters, CM Raymond, CA Smith, DE Sykes, MV Williams, BG Zuber, MT AF Russell, CT Coradini, A Feldman, WC Jaumann, R Konopliv, AS McCord, TB McFadden, LA McSween, HY Mottola, S Neukum, G Pieters, CM Raymond, CA Smith, DE Sykes, MV Williams, BG Zuber, MT TI Dawn discovery mission: A journey to the beginning of the solar system. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Univ Calif Los Angeles, Inst Geophys, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Dept Earth & Space Sci, Los Angeles, CA 90095 USA. Ist Astrofis Spaziale, CNR, I-0133 Rome, Italy. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. DLR, German Aerosp Ctr, D-12489 Berlin, Germany. Jet Prop Lab, Pasadena, CA 91109 USA. Univ Hawaii, Honolulu, HI 96822 USA. Univ Maryland, College Pk, MD 20742 USA. Univ Tennessee, Knoxville, TN 37996 USA. Brown Univ, Providence, RI 02912 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Arizona, Tucson, AZ 85721 USA. MIT, Cambridge, MA 02139 USA. RI McFadden, Lucy-Ann/I-4902-2013 OI McFadden, Lucy-Ann/0000-0002-0537-9975 NR 0 TC 0 Z9 0 U1 0 U2 1 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A123 EP A123 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700229 ER PT J AU Welten, KC Nishiizumi, K Caffee, MW AF Welten, KC Nishiizumi, K Caffee, MW TI Cosmogenic radionuclides in enstatite chondrites with low Ar-38/Ne-21 exposure age ratios. SO METEORITICS & PLANETARY SCIENCE LA English DT Meeting Abstract C1 Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, CAMS, Livermore, CA 94551 USA. Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. NR 4 TC 1 Z9 1 U1 0 U2 0 PU METEORITICAL SOC PI FAYETTEVILLE PA DEPT CHEMISTRY/BIOCHEMISTRY, UNIV ARKANSAS, FAYETTEVILLE, AR 72701 USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JUL PY 2002 VL 37 IS 7 SU S BP A149 EP A149 PG 1 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 581CZ UT WOS:000177274700281 ER PT J AU Fowler, JS Logan, J Volkow, ND Wang, GJ MacGregor, RR Ding, YS AF Fowler, JS Logan, J Volkow, ND Wang, GJ MacGregor, RR Ding, YS TI Monoamine oxidase: radiotracer development and human studies SO METHODS LA English DT Review ID POSITRON EMISSION TOMOGRAPHY; C-11 L-DEPRENYL; BRAIN MAO-B; QUANTITATIVE ENZYME AUTORADIOGRAPHY; TEMPORAL-LOBE EPILEPSY; PARKINSONS-DISEASE; IN-VIVO; ALZHEIMERS-DISEASE; CIGARETTE-SMOKING; GINKGO-BILOBA AB Monoamine oxidase (MAO) is an integral protein of outer mitochondrial membranes and occurs in neuronal and nonneuronal cells in the brain and in peripheral organs. It oxidizes amines from both endogenous and exogenous sources, thereby influencing the concentration of neurotransmitter amines as well as many xenobiotics. It occurs in two subtypes, MAO A and MAO B, which are different gene products and have different substrate and inhibitor specificities. Both MAO A and B can be imaged and quantified in the living human brain using positron emission tomography (PET) and radiotracers labeled with carbon-11. PET studies have been carried out to measure the effects of age, MAO inhibitor drugs, tobacco smoke exposure, and other factors on MAO activity in the human brain. (C) 2002 Elsevier Science (USA). All rights reserved. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Fowler, JS (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. NR 135 TC 49 Z9 49 U1 3 U2 17 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-2023 J9 METHODS JI Methods PD JUL PY 2002 VL 27 IS 3 BP 263 EP 277 AR PII S1046-2023(02)00083-X DI 10.1016/S1046-2023(02)00083-X PG 15 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 594VQ UT WOS:000178072600010 PM 12183115 ER PT J AU Ribeiro, RM Lo, A Perelson, AS AF Ribeiro, RM Lo, A Perelson, AS TI Dynamics of hepatitis B virus infection SO MICROBES AND INFECTION LA English DT Review DE HBV; modeling; review ID ANTIVIRAL IMMUNE-RESPONSE; VIRAL DYNAMICS; IN-VIVO; COMBINATION THERAPY; MATHEMATICAL-MODEL; LAMIVUDINE; KINETICS; CLEARANCE; CELLS; LIVER AB Mathematical models of the dynamics of HIV and hepatitis C virus infection have proven to be of great utility in understanding pathogenesis and designing better treatments. Here, we review the state of the art in modeling and interpreting data obtained from hepatitis B virus infected patients treated with antiviral agents. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved. C1 Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, POB 1663, Los Alamos, NM 87545 USA. FU NCRR NIH HHS [RR06555] NR 28 TC 59 Z9 66 U1 0 U2 2 PU EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS CEDEX 15 PA 23 RUE LINOIS, 75724 PARIS CEDEX 15, FRANCE SN 1286-4579 J9 MICROBES INFECT JI Microbes Infect. PD JUL PY 2002 VL 4 IS 8 BP 829 EP 835 AR PII S1286-4579(02)01603-9 DI 10.1016/S1286-4579(02)01603-9 PG 7 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 580KT UT WOS:000177234300008 PM 12270730 ER PT J AU Cheng, MD Karr, L Kornuc, J Staat, D Wainman, T Harre, B Sugiyama, B AF Cheng, MD Karr, L Kornuc, J Staat, D Wainman, T Harre, B Sugiyama, B TI Evaluation of aerosol lead measurement techniques using laboratory generated super-micrometer particles SO MICROCHEMICAL JOURNAL LA English DT Article DE field-portable instrumentation; Anodic Stripping Voltammetry technique; laser-induced plasma spectroscopy; vibrating orifice aerosol generator; lead; trace metal ID INDUCED BREAKDOWN SPECTROMETRY; SPECTROSCOPY AB High levels of lead in some occupational environments still exist. These include lead paint abatement sites, smelting operations, small arms firing ranges, and other construction scenarios. New emerging technologies provide the capability to provide an on-site alternative to conventional laboratory methods for airborne lead. In this paper we describe the evaluation of two such technologies using laboratory prepared lead-laden super-micron aerosol particles. Size measurements by TSI Aerodynamic Particle Sizer(TM) indicated the fluctuation of the peak particle sizes varying less than 1% among different runs for a given solution concentration. The content of lead embedded in the particles varied from 14 to 18% between runs of three different lead solution concentrations. A commercially available instrument for airborne lead measurement, AeroLead(TM), showed promise of becoming fully validated with the addition of design enhancements, although not fully validated by the end of the research program. Some of these areas being reworked by the manufacturer include working electrode issues, such as a more uniform surface area. Once these have been addressed, the manufacturer plans to complete the field and laboratory validation procedures. In a subsequent study, the ABF-LIPS results shown in this paper indicated that the technology could be used to quantify lead in aerosol form with a signal-to-noise ratio of three or larger of approximately 100 mug m(-3) or higher quantity in a few minutes of measurement interval. The estimated detection limit for Pb using the ABF-LIPS prototype was approximately 60 mug m(-3). In comparison the Resource Conservation and Recovery Act (RCRA) limit for Pb emission is 250 mug m(-3). (C) 2002 Elsevier Science B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Naval Facil Engn Serv Ctr, Environm Restorat Branch, Port Hueneme, CA USA. Anteon Corp, Camarillo, CA USA. Environm & Life Support Technol Inc, Englewood, CO USA. Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Cheng, MD (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 1505,MS 6038, Oak Ridge, TN 37831 USA. RI Cheng, Meng-Dawn/C-1098-2012; OI Cheng, Meng-Dawn/0000-0003-1407-9576 NR 11 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0026-265X J9 MICROCHEM J JI Microchem J. PD JUL PY 2002 VL 72 IS 2 BP 209 EP 219 AR PII S0026-265X(02)00036-X PG 11 WC Chemistry, Analytical SC Chemistry GA 571WW UT WOS:000176743000013 ER PT J AU Brainard, RL Barclay, GG Anderson, EH Ocola, LE AF Brainard, RL Barclay, GG Anderson, EH Ocola, LE TI Resists for next generation lithography SO MICROELECTRONIC ENGINEERING LA English DT Article; Proceedings Paper CT 27th International Conference on Micro- and Nano-Engineering CY SEP 16-19, 2001 CL GRENOBLE, SPAIN DE NGL; LER; EUV; X-ray; EPL; IPL; resolution; resists; photoresists ID DEEP-ULTRAVIOLET AB Four next generation lithographic options (EUV, X-ray, EPL, IPL) are compared against four current optical technologies (i-line, DUV, 193 nm, 157 nm) for resolution capabilities based on wavelength. Studies are also made comparing absorption characteristics and their role in polymer design for NGL Resists. EUV, X-ray, EPL, and IPL all have important, but distinct, requirements for resist sensitivity. EPL requires resists that are 30 times more sensitive than UV6(TM). Although the needs are less extreme, EUV and X-ray also require sensitivities that are beyond most conventional resists. IPL does not appear to have sensitivity issues. Quite often, increases in resist sensitivity can only be achieved at the cost of other important resist properties, such as resolution, environmental stability and line edge roughness. This challenge must be met in order to properly design resists for NGL. (C) 2002 Published by Elsevier Science B.V. C1 Shipley Co Inc, Marlborough, MA 01752 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Agere Syst, Murray Hill, NJ 07974 USA. RP Brainard, RL (reprint author), Shipley Co Inc, 455 Forest St, Marlborough, MA 01752 USA. OI Ocola, Leonidas/0000-0003-4990-1064 NR 11 TC 52 Z9 52 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD JUL PY 2002 VL 61-2 BP 707 EP 715 AR PII S0167-9317(02)00564-6 DI 10.1016/S0167-9317(02)00564-6 PG 9 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 569HB UT WOS:000176594700099 ER PT J AU Dentinger, PM Clift, WM Goods, SH AF Dentinger, PM Clift, WM Goods, SH TI Removal of SU-8 photoresist for thick film applications SO MICROELECTRONIC ENGINEERING LA English DT Article; Proceedings Paper CT 27th International Conference on Micro- and Nano-Engineering CY SEP 16-19, 2001 CL GRENOBLE, SPAIN DE SU-8; photoresist stripping; LIGA; MEMS AB SU-8 photoresist has consistently shown excellent resolution in thick film applications, has been utilized as an electroplating mold, and is sensitive to inexpensive UV sources. However, the highly crosslinked epoxy remaining after development is difficult to remove reliably from high aspect ratio structures without damage or alteration to the electroplated metal. A review of physical and chemical removal options is discussed with data on the most promising options shown. Several standard solvent mixtures have proven particularly useful in our laboratory. The solvent systems remove the resist through crazing and peeling rather than dissolution. They are inexpensive, and can be utilized on very low aspect ratio features, or on parts with no included SU-8. Alternatively, a very promising option for reliable removal is downstream chemical etching (DCE; Matrix Integrated Systems, Richmond, CA) which achieved removal rates of approximately 7-10 mum/min at 225 degreesC for several hundred micron thick molds. At higher temperatures, an inexpensive molten salt bath has shown to be reliable. The K10 (Kolene Corp., Detroit, MI) process salt bath operated at 350 degreesC is efficient at completely oxidizing the highly crosslinked epoxy. Sputter Auger depth profiling of Ni parts after removal by DCE and molten salt bath indicated only superficial elemental damage to the metal, though deposits of antimony from the photocatalyst are left after DCE. Initial mechanical properties of electroplated Ni tensile specimens subsequent to the salt bath and DCE processing are presented. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Dentinger, PM (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94550 USA. NR 9 TC 77 Z9 80 U1 2 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD JUL PY 2002 VL 61-2 BP 993 EP 1000 AR PII S0167-9317(02)00490-2 DI 10.1016/S0167-9317(02)00490-2 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 569HB UT WOS:000176594700135 ER PT J AU Dentinger, PM Krafcik, KL Simison, KL Janek, RP Hachman, J AF Dentinger, PM Krafcik, KL Simison, KL Janek, RP Hachman, J TI High aspect ratio patterning with a proximity ultraviolet source SO MICROELECTRONIC ENGINEERING LA English DT Article; Proceedings Paper CT 27th International Conference on Micro- and Nano-Engineering CY SEP 16-19, 2001 CL GRENOBLE, SPAIN DE SU-8; photoresist; LIGA; proximity printing AB A considerably less expensive option to synchrotron exposures of thick film photoresists is to use a proximity UV exposure tool. The use of UV radiation, however, is potentially limited by aerial image degradation as the image propagates through the thick photoresist layer. In addition to diffraction, run-out from uncollimated light or absorption in the resist easily dominate the aerial image problems for thick films. Alternatively, thick film lithography may be limited by the ability of present photoresists to print the aerial image. With some formulations, calculated line-and-space theoretical limits can be printed for 150-mum thick films. Typical aspect ratios for films greater than 200-mum thick exceed 20:1 with good process linearity and sidewall profiles and extension to 700-mum thick films is shown. We show that present commercial formulations of photoresists and not aerial image are likely the limiting factor in the practical resolution of final features from proximity UV printing. In particular, the redeposition of partially dissolved resist during drying after development leads to feature degradation. Released electrodeposited metal parts are also produced and demonstrated. (C) 2002 Elsevier Science B.V. All rights reserved. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Dentinger, PM (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 7 TC 47 Z9 49 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9317 J9 MICROELECTRON ENG JI Microelectron. Eng. PD JUL PY 2002 VL 61-2 BP 1001 EP 1007 AR PII S0167-9317(02)00491-4 DI 10.1016/S0167-9317(02)00491-4 PG 7 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Optics; Physics GA 569HB UT WOS:000176594700136 ER PT J AU Obot, NT AF Obot, NT TI Toward a better understanding of friction and heat/mass transfer in microchannels - A literature review SO MICROSCALE THERMOPHYSICAL ENGINEERING LA English DT Review ID HEAT-TRANSFER CHARACTERISTICS; FORCED-CONVECTION; RECTANGULAR MICROCHANNELS; GAS-FLOW; CHANNELS; REFRIGERATORS AB A critical review of published results is presented, to provide a better understanding of microchannel transport phenomena, together with the framework for future research. The main conclusions are (1) the onset of transition to turbulent flow in smooth microchannels does not occur if the Reynolds number is less than or equal to 1,000; (2) the Nusselt number varies as the square root of the Reynolds number in laminar flow; and (3) satisfactory estimates of transfer coefficients, within the accuracy of experimental errors, can be obtained by using either experimental results for smooth channels with large hydraulic diameter or conventional correlations. C1 Argonne Natl Lab, Div Energy Technol, Argonne, IL 60439 USA. RP Argonne Natl Lab, Div Energy Technol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM obot@anl.gov NR 25 TC 115 Z9 118 U1 1 U2 28 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1089-3954 J9 MICROSCALE THERM ENG JI Microscale Thermophys. Eng. PD JUL-SEP PY 2002 VL 6 IS 3 BP 155 EP 173 DI 10.1080/10893950290053295 PG 19 WC Thermodynamics; Engineering, Mechanical; Nanoscience & Nanotechnology; Materials Science, Characterization & Testing; Physics, Applied SC Thermodynamics; Engineering; Science & Technology - Other Topics; Materials Science; Physics GA 598TM UT WOS:000178292600001 ER PT J AU Zhang, KL Williams, KE Huang, L Yau, P Siino, JS Bradbury, EM Jones, PR Minch, MJ Burlingame, AL AF Zhang, KL Williams, KE Huang, L Yau, P Siino, JS Bradbury, EM Jones, PR Minch, MJ Burlingame, AL TI Histone acetylation and deacetylation - Identification of acetylation and methylation sites of HeLa histone H4 by mass spectrometry SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID NEWLY SYNTHESIZED HISTONES; GENE ACTIVATION; NUCLEOSOMAL DNA; X-CHROMOSOME; IN-VITRO; CHROMATIN; TRANSCRIPTION; H3; ACETYLTRANSFERASE; TETRAHYMENA AB The acetylation isoforms of histone H4 from butyrate-treated HeLa cells were separated by C-4 reverse-phase high pressure liquid chromatography and by polyacrylamide gel electrophoresis. Histone H4 bands were excised and digested in-gel with the endoprotease trypsin. Matrix-assisted laser desorption ionization time-of-flight mass spectrometry was used to characterize the level of acetylation, and nanoelectrospray tandem mass spectrometric analysis of the acetylated peptides was used to determine the exact sites of acetylation. Although there are 15 acetylation sites possible, only four acetylated peptide sequences were actually observed. The tetra-acetylated form is modified at lysines 5, 8, 12, and 16, the tri-acetylated form is modified at lysines 8, 12, and 16, and the di-acetylated form is modified at lysines 12 and 16. The only significant amount of the mono-acetylated form was found at position 16. These results are consistent with the hypothesis of a "zip" model whereby acetylation of histone H4 proceeds in the direction of from Lys-16 to Lys-5, and deacetylation proceeds in the reverse direction. Histone acetylation and deacetylation are coordinated processes leading to a non-random distribution of isoforms. Our results also revealed that lysine 20 is di-methylated in all modified isoforms, as well as the nonacetylated isoform of H4. C1 Univ Calif San Francisco, Mass Spectrometry Facil, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. Univ Pacific, Dept Chem, Stockton, CA 95211 USA. Univ Calif Davis, Dept Biol Chem, Davis, CA 95616 USA. Los Alamos Natl Lab, Div B, Los Alamos, NM 87545 USA. RP Burlingame, AL (reprint author), Univ Calif San Francisco, Mass Spectrometry Facil, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. RI Huang, Lan/C-3618-2011 FU NCRR NIH HHS [RR01614] NR 46 TC 122 Z9 123 U1 5 U2 16 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD JUL PY 2002 VL 1 IS 7 BP 500 EP 508 DI 10.1074/mcp.M200031-MCP200 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 654UZ UT WOS:000181515600002 PM 12239278 ER PT J AU Shi, W Zhao, XC Johnson, JK AF Shi, W Zhao, XC Johnson, JK TI Phase transitions of adsorbed fluids computed from multiple-histogram reweighting SO MOLECULAR PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; VAPOR-LIQUID-EQUILIBRIA; MONTE-CARLO SIMULATION; ALKALI-METAL SURFACES; LENNARD-JONES FLUIDS; WETTING TRANSITIONS; CRITICAL-POINT; CAPILLARY CONDENSATION; PREWETTING TRANSITIONS; MULTILAYER ADSORPTION AB This paper demonstrates the effectiveness of using multiple-histogram reweighting (MHR) to study phase transitions in confined fluids by examining capillary condensation, prewetting, and layering transitions for different systems. A comparison is made with previously published simulations, where available, to establish the accuracy of MHR as applied to inhomogeneous systems. Overlap between adjacent state points is assessed through single-histogram reweighting. Capillary condensation for methane adsorption in slit-like graphite pores exhibits 2D behaviour. Crossover of the effective exponent for the width of the coexistence curve from 2D Ising-like (1/8) further away from the critical point to mean-field (1/2) near the critical point is observed. The reduced critical temperature, the density and the effective value of the exponent for the model system are 0.77, 0.482, and 0.119, respectively, based on a fit to the simulation data. Prewetting transitions are observed for adsorption of Ar on solid CO2 using model potentials. The wetting temperature is estimated based on the intersection of the prewetting and bulk vapour-liquid lines, and also by extrapolation to zero of the difference between the saturation and prewetting chemical potentials. The reduced wetting temperature is estimated to be around 0.69. The reduced prewetting critical temperature, calculated from the disappearance of the two peaks in the density probability distribution, is estimated to be 0.92. The monolayer to bilayer (1-2) transition for propane on graphite is computed over a range of temperatures. Results for the 1-2 layering transition computed from MHR from a small system are in good agreement with grand canonical Monte Carlo simulations for a much larger system. C1 Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 NR 61 TC 29 Z9 29 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0026-8976 EI 1362-3028 J9 MOL PHYS JI Mol. Phys. PD JUL PY 2002 VL 100 IS 13 BP 2139 EP 2150 DI 10.1080/00268970210122118 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 572DR UT WOS:000176758600013 ER PT J AU Predota, M Nezbeda, I Cummings, PT AF Predota, M Nezbeda, I Cummings, PT TI Hydrophobic hydration at the level of primitive models. II: Large solutes and water restructuring SO MOLECULAR PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; MONTE-CARLO SIMULATIONS; CAVITY SURFACE-AREA; PSEUDO-HARD BODIES; LIQUID WATER; COMPUTER-SIMULATION; DEPENDENCE; FLUIDS; WALLS; TEMPERATURE AB Details of structural changes that take place in water near an apolar solute have been studied by Monte Carlo simulations for hard sphere solutes of increasing size, including the limiting case of water at a hard structureless wall. Water has been modelled by two different types of extended primitive model, the four-site EPM4 model and five-site EPM5 model. Two different patterns of the orientational ordering of the water molecules around the solute as a function of its size have been found. For the EPM5 model, the structure of water and the orientation of its molecules near an apolar solute of finite diameter do not seem to be sensitive to the size of the solute, and only become more pronounced when the solute becomes a hard wall. On the other hand, the orientation ordering of the EPM4 molecules gradually changes with increasing size of the solute, and for solutes larger than approximately five times the size of the water molecule it is opposite to that near a small solute. A novel method to evaluate the excess chemical potential of large solutes has been implemented, and some thermodynamic quantities for water (distribution of hydrogen bonds and the excess chemical potential) have been computed as a function of the distance from the solute. C1 Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Technol, Oak Ridge, TN 37831 USA. RP Nezbeda, I (reprint author), Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA. RI Predota, Milan/A-2256-2009; Nezbeda, Ivo/F-6073-2014; Cummings, Peter/B-8762-2013 OI Predota, Milan/0000-0003-3902-0992; Cummings, Peter/0000-0002-9766-2216 NR 37 TC 20 Z9 20 U1 1 U2 3 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 JUL PY 2002 VL 100 IS 14 BP 2189 EP 2200 DI 10.1080/00268970210124800 PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 579HP UT WOS:000177172800002 ER EF