FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Lago, J Micotti, E Corti, M Lascialfari, A Bianchi, A Carretta, S Santini, P Procissi, D Baek, SH Kogerler, P Baines, C Amato, A AF Lago, J. Micotti, E. Corti, M. Lascialfari, A. Bianchi, A. Carretta, S. Santini, P. Procissi, D. Baek, S. H. Koegerler, P. Baines, C. Amato, A. TI Low-energy spin dynamics in the giant keplerate molecule {Mo72Fe30}: A muon spin relaxation and H-1 NMR investigation SO PHYSICAL REVIEW B LA English DT Article ID NUCLEAR MAGNETIC RELAXATION; MOLYBDENUM-OXIDE; PROTON NMR; CLUSTERS; SYSTEMS; SPHERES AB We present muon spin relaxation and H-1 NMR results on the magnetically frustrated keplerate molecule {Mo72Fe30}, aimed at studying the local spin dynamics as a function of temperature. We find that, in common with other molecular magnets, the relaxation spectrum of this material is characterized by a single dominating electronic correlation time tau. Experiments and theory show that tau has a thermally activated behavior with an activation gap of the order of the energy difference between the lowest-lying rotational bands in this material. This shows that, in the intermediate temperature range just above 1 K, the relaxation of the electronic spin system occurs via Orbach processes involving energy levels belonging to the two lowest-lying rotational bands. Our data thus provide an experimental estimate of the first interband gap. C1 Univ Pavia, Dipartimento Fis A Volta, I-27100 Pavia, Italy. INFM, CNR, I-27100 Pavia, Italy. Univ Milan, Ist Fisiol Gen & Chim Biol, I-20134 Milan, Italy. INFM, CNR, S3, I-41100 Modena, Italy. Univ Parma, Dipartimento Fis, I-43100 Parma, Italy. Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Lago, J (reprint author), Univ Pavia, Dipartimento Fis A Volta, Via Palestro 3, I-27100 Pavia, Italy. EM lago@fisicavolta.unipv.it; lascialfari@fisicavolta.unipv.it RI Baek, Seung-Ho/F-4733-2011; Kogerler, Paul/H-5866-2013; lago, jorge/G-1491-2016; Amato, Alex/H-7674-2013 OI Baek, Seung-Ho/0000-0002-0059-8255; Kogerler, Paul/0000-0001-7831-3953; lago, jorge/0000-0002-4224-720X; Amato, Alex/0000-0001-9963-7498 NR 32 TC 10 Z9 10 U1 0 U2 4 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 AUG PY 2007 VL 76 IS 6 AR 064432 DI 10.1103/PhysRevB.76.064432 PG 7 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200085 ER PT J AU Makagon, A Kachanov, M Kalinin, SV Karapetian, E AF Makagon, Arty Kachanov, Mark Kalinin, Sergei V. Karapetian, Edgar TI Indentation of spherical and conical punches into piezoelectric half-space with frictional sliding: Applications to scanning probe microscopy SO PHYSICAL REVIEW B LA English DT Article ID LATERAL FORCE MICROSCOPY; TRANSVERSE ISOTROPY; ELASTIC FIELD; CONTRAST; STIFFNESS; CONTACT; SURFACE AB A proper quantitative interpretation of scanning probe microscopy (SPM) experiments requires solutions for both normal and tangential indentations of punches into a piezoelectric material. Such indentation solutions, their dependence on the indenter shape, and implications for SPM are considered here. More specifically, indentation of the spherical and conically sharp indenters into a piezoelectric half-space accompanied by frictional sliding is addressed. The tangential part of the problem, which involves friction, is solved to complement the solution of the normal indentation problem obtained earlier. Exact stiffness relations between vertical load, tangential displacement, and material properties are obtained. The piezoelectric coupling is found to have a relatively weak effect on lateral contact stiffness. In contrast, the contact area depends noticeably on the tangential effects. The full electroelastic fields are derived in elementary functions and their implications are discussed. C1 Tufts Univ, Dept Mech Engn, Medford, MA 02155 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Suffolk Univ, Dept Math & Comp Sci, Boston, MA 02114 USA. RP Makagon, A (reprint author), Tufts Univ, Dept Mech Engn, Medford, MA 02155 USA. EM arty.makagon@tufts.edu; edgark@mcs.suffolk.edu RI Kalinin, Sergei/I-9096-2012; Kachanov, Mark/F-7571-2015 OI Kalinin, Sergei/0000-0001-5354-6152; Kachanov, Mark/0000-0002-6354-0341 NR 31 TC 17 Z9 17 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 064115 DI 10.1103/PhysRevB.76.064115 PG 14 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200030 ER PT J AU Montfrooij, W Lamsal, J Aronson, M Bennett, M de Visser, A Kai, HY Huy, NT Yethiraj, M Lumsden, M Qiu, YM AF Montfrooij, Wouter Lamsal, Jagat Aronson, Meigan Bennett, Marcus de Visser, Anne Kai, Huang Ying Huy, Nguyen Thanh Yethiraj, Mohana Lumsden, Mark Qiu, Yiming TI Ground state of a quantum critical system: Neutron scattering on Ce(Ru1-xFex)(2)Ge-2 SO PHYSICAL REVIEW B LA English DT Article ID PHASE-TRANSITIONS; METALS; TEMPERATURE AB We present neutron scattering data on Ce(Ru1-xFex)(2)Ge-2 that show that magnetic ordering in the vicinity of a quantum critical point is restricted to short length scales even though all moments that are present have lined up with their neighbors. We argue that order is not limited by crystallographic defects but rather that quantum fluctuations disorder the system and dilute the magnetic moments to such an extent that a percolation network forms. The latter naturally explains how E/T scaling is possible in a system whose apparent dimensionality is above the upper critical dimension. C1 Univ Missouri, Dept Phys & Missouri Res Reactor, Columbia, MO 65211 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Univ Amsterdam, Van Der Waals Zeeman Inst, NL-1018 XE Amsterdam, Netherlands. Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. NIST, Gaithersburg, MD 20899 USA. Univ Maryland, College Pk, MD 20742 USA. RP Montfrooij, W (reprint author), Univ Missouri, Dept Phys & Missouri Res Reactor, Columbia, MO 65211 USA. RI Lumsden, Mark/F-5366-2012 OI Lumsden, Mark/0000-0002-5472-9660 NR 25 TC 5 Z9 5 U1 1 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 AUG PY 2007 VL 76 IS 5 AR 052404 DI 10.1103/PhysRevB.76.052404 PG 4 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100011 ER PT J AU Moore, KT van der Laan, G Wall, MA Schwartz, AJ Haire, RG AF Moore, K. T. van der Laan, G. Wall, M. A. Schwartz, A. J. Haire, R. G. TI Rampant changes in 5f(5/2) and 5f(7/2) filling across the light and middle actinide metals: Electron energy-loss spectroscopy, many-electron atomic spectral calculations, and spin-orbit sum rule SO PHYSICAL REVIEW B LA English DT Article ID VALENCE; PLUTONIUM; MOMENTS AB We examine the branching ratio of the N-4,N-5 (4d -> 5f) spectra of Th, U, Np, Pu, Am, and Cm metals using electron energy-loss spectroscopy (EELS) in a transmission electron microscope, together with many-electron atomic spectral calculations and the spin-orbit sum rule. Our results show the following. (1) The actinide metals Pu, Am, and Cm exhibit intermediate coupling. (2) The intermediate coupling values for the 5f states as calculated using a many-electron atomic model are correct for the actinides; this being proven by our results for curium. (3) The EELS branching ratio is sensitive to the degree of 5f electron delocalization, which is illustrated by the transition from LS to intermediate coupling between U and Pu. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Daresbury Lab, Magnet Spect Grp, Warrington WA4 4AD, Cheshire, England. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Moore, KT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM moore78@llnl.gov RI van der Laan, Gerrit/Q-1662-2015 OI van der Laan, Gerrit/0000-0001-6852-2495 NR 22 TC 53 Z9 54 U1 2 U2 19 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 7 AR 073105 DI 10.1103/PhysRevB.76.073105 PG 4 WC Physics, Condensed Matter SC Physics GA 206AC UT WOS:000249155300005 ER PT J AU Morozovska, AN Svechnikov, SV Eliseev, EA Kalinin, SV AF Morozovska, Anna N. Svechnikov, Sergei V. Eliseev, Eugene A. Kalinin, Sergei V. TI Extrinsic size effect in piezoresponse force microscopy of thin films SO PHYSICAL REVIEW B LA English DT Article ID DISPLACEMENTS; RESOLUTION AB The extrinsic size effect in piezoresponse force microscopy of ferroelectric and piezoelectric thin films on nonpolar dielectric substrate with matching elastic properties is analyzed. Analytical expressions for effective piezoresponse, object transfer function components, and Rayleigh two-point resolution are obtained. These results can be broadly applied for effective piezoelectric response calculations in thin piezoelectric and ferroelectric films as well as surface polar layers in, e.g., organic materials and biopolymers. In particular, the effective piezoresponse strongly decreases with film thickness, whereas the sharpness of domain stripe image increases due to the object transfer function spectrum broadening. C1 Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. Natl Acad Sci Ukraine, Inst Semicond Phys, UA-03028 Kiev, Ukraine. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Natl Acad Sci Ukraine, Ctr Nanophase Mat Sci, UA-03142 Kiev, Ukraine. RP Eliseev, EA (reprint author), Natl Acad Sci Ukraine, Inst Problems Mat Sci, 3 Krjijanovskogo, UA-03142 Kiev, Ukraine. EM eliseev@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 28 TC 21 Z9 21 U1 2 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054123 DI 10.1103/PhysRevB.76.054123 PG 5 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100049 ER PT J AU Nicklas, M Stockert, O Park, T Habicht, K Kiefer, K Pham, LD Thompson, JD Fisk, Z Steglich, F AF Nicklas, M. Stockert, O. Park, Tuson Habicht, K. Kiefer, K. Pham, L. D. Thompson, J. D. Fisk, Z. Steglich, F. TI Magnetic structure of cd-doped CeCoIn5 SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; PRESSURE AB The heavy-fermion superconductor CeCoIn5 is believed to be close to a magnetic instability, but no static magnetic order has been found. Cadmium doping on the In site shifts the balance between superconductivity and antiferromagnetism to the latter with an extended concentration range where both types of order coexist at low temperatures. We investigated the magnetic structure of nominally 10% Cd-doped CeCoIn5, being antiferromagnetically ordered below T-N approximate to 3 K and superconducting below T-c approximate to 1.3 K, by elastic neutron scattering. Magnetic intensity was observed only at the ordering wave vector Q(AF)=(1/2,1/2,1/2) commensurate with the crystal lattice. Upon entering the superconducting state, the magnetic intensity seems to change only little. The commensurate magnetic ordering in CeCo(In1-xCdx)(5) is in contrast to the incommensurate antiferromagnetic ordering observed in the closely related compound CeRhIn5. Our results give insights into the interplay between superconductivity and magnetism in the family of CeTIn5 (T=Co, Rh, and Ir) based compounds. C1 Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Irvine, Irvine, CA 92697 USA. RP Nicklas, M (reprint author), Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden, Germany. RI Park, Tuson/A-1520-2012; Nicklas, Michael/B-6344-2008; Kiefer, Klaus/J-3544-2013; Habicht, Klaus/K-3636-2013 OI Nicklas, Michael/0000-0001-6272-2162; Kiefer, Klaus/0000-0002-5178-0495; Habicht, Klaus/0000-0002-9915-7221 NR 24 TC 44 Z9 44 U1 2 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 052401 DI 10.1103/PhysRevB.76.052401 PG 4 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100008 ER PT J AU Ohishi, K Heffner, RH Morris, GD Bauer, ED Graf, MJ Zhu, JX Morales, LA Sarrao, JL Fluss, MJ MacLaughlin, DE Shu, L Higemoto, W Ito, TU AF Ohishi, K. Heffner, R. H. Morris, G. D. Bauer, E. D. Graf, M. J. Zhu, J.-X. Morales, L. A. Sarrao, J. L. Fluss, M. J. MacLaughlin, D. E. Shu, L. Higemoto, W. Ito, T. U. TI Muon spin rotation measurements of the superfluid density in fresh and aged superconducting PuCoGa5 SO PHYSICAL REVIEW B LA English DT Article ID D-WAVE SUPERCONDUCTOR; MAGNETIC PENETRATION DEPTH; QUASI-PARTICLE EXCITATIONS; C CUPRATE SUPERCONDUCTORS; UNCONVENTIONAL SUPERCONDUCTORS; IMPURITY SCATTERING; II SUPERCONDUCTORS; LAYERED SUPERCONDUCTORS; TRANSITION-TEMPERATURE; THERMAL-CONDUCTIVITY AB We have measured the temperature dependence and magnitude of the superfluid density rho(s)(T) via the magnetic field penetration depth lambda(T) in PuCoGa5 (nominal critical temperature T-c0=18.5 K) using the muon spin rotation technique in order to investigate the symmetry of the order parameter, and to study the effects of aging on the superconducting properties of a radioactive material. The same single crystals were measured after 25 days (T-c=18.25 K) and 400 days (T-c=15.0 K) of aging at room temperature. Penetration depths lambda(0)=265(5) and >= 498(10) nm are derived for the fresh and aged samples, respectively. The temperature dependence of the superfluid density rho(s)(T)/rho(s)(0)=lambda(0)(2)/lambda(T)(2) is well described in both materials by a model using d-wave gap symmetry. Within the context of a strong-coupling dirty d-wave model a zero-temperature gap value Delta(0)=3.0k(B)T(c0) is obtained in the fresh sample for a scattering rate Gamma=0.005 pi k(B)T(c0), which is consistent with Abrikosov-Gor'kov (AG) pair-breaking theory. This Delta(0) should be compared to the weak-coupling value for a clean d-wave gap Delta(0)=2.14k(B)T(c0). In the aged sample the same model yields Delta(0)=2.4k(B)T(c0) for Gamma=0.010 pi k(B)T(c0). This value of Gamma is much less than required by the AG pair-breaking formalism. Furthermore, the aged rho(s)(0) is reduced by at least 70% compared to the fresh sample, which is also incompatible with Delta T-c/T-c0 similar to 20%, according to AG theory. We conclude that the data in aged PuCoGa5 support the postulate that the scattering from radiation-induced defects is not in the limit of the AG theory of an order parameter which is spatially averaged over impurity sites, but rather in the limit of short-coherence-length superconductivity. We show that a model calculation consistent with this assumption fits rho(s)(T) in the aged sample rather well. C1 Japan Atom Energy Agcy, Ibaraki 3191195, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. TRIUMF, Vancouver, BC V6T 2A3, Canada. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 1528551, Japan. RP Ohishi, K (reprint author), Japan Atom Energy Agcy, Ibaraki 3191195, Japan. RI Ohishi, Kazuki/E-9592-2010; Bauer, Eric/D-7212-2011; Shu, Lei/E-7524-2012; OI Ohishi, Kazuki/0000-0003-1494-6502; Ito, Takashi/0000-0003-1971-4313; Bauer, Eric/0000-0003-0017-1937; Zhu, Jianxin/0000-0001-7991-3918 NR 70 TC 12 Z9 12 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 064504 DI 10.1103/PhysRevB.76.064504 PG 10 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200092 ER PT J AU Oxley, MP Varela, M Pennycook, TJ van Benthem, K Findlay, SD D'Alfonso, AJ Allen, LJ Pennycook, SJ AF Oxley, M. P. Varela, M. Pennycook, T. J. van Benthem, K. Findlay, S. D. D'Alfonso, A. J. Allen, L. J. Pennycook, S. J. TI Interpreting atomic-resolution spectroscopic images SO PHYSICAL REVIEW B LA English DT Article ID INELASTICALLY SCATTERED ELECTRONS; CORE-LOSS SPECTROSCOPY; ENERGY-LOSS SPECTROSCOPY; SPATIAL-RESOLUTION; SHELL IONIZATION; MICROSCOPY; CONTRAST; CRYSTALS; LATTICE AB Core-loss electron energy loss spectroscopy is a powerful experimental tool with the potential to provide atomic-resolution information about electronic structure at defects and interfaces in materials and nanostructures. Interpretation, however, is nonintuitive. Comparison of experimental and simulated compositional maps in LaMnO3 shows good agreement, apart from an overall scaling of image contrast, and shows that the shape and width of spectroscopic images do not show a simple variation with binding energy, as commonly assumed, or with the size of the orbital excited. For the low lying La N-4,N-5 edge with threshold at around 99 eV, delocalization does not preclude atomic resolution, but reduces the image contrast. The image width remains comparable to that of the much higher lying O K edge with threshold at around 532 eV. Both edges show a volcanolike feature, a dip at the column position not previously seen experimentally. In the case of the O K edge, this represents an experimental verification of nonlocal inelastic scattering effects in electron energy loss spectroscopy imaging. In the case of the N-4,N-5 edge, the volcanolike feature is due to dynamical channeling and absorption of the probe through the specimen thickness. Simulation is therefore critical to the interpretation of atomic-resolution elemental maps. C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. RP Oxley, MP (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA. RI Varela, Maria/H-2648-2012; Findlay, Scott/C-9764-2013; Pennycook, Timothy/B-4946-2014; Varela, Maria/E-2472-2014 OI Findlay, Scott/0000-0003-4862-4827; Pennycook, Timothy/0000-0002-0008-6516; Varela, Maria/0000-0002-6582-7004 NR 28 TC 45 Z9 45 U1 0 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 064303 DI 10.1103/PhysRevB.76.064303 PG 8 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200048 ER PT J AU Park, JY Qi, YB Ogletree, DF Thiel, PA Salmeron, M AF Park, Jeong Young Qi, Yabing Ogletree, D. F. Thiel, P. A. Salmeron, M. TI Influence of carrier density on the friction properties of silicon pn junctions SO PHYSICAL REVIEW B LA English DT Article ID DEPENDENT SLIDING FRICTION; ATOMIC-FORCE MICROSCOPY; DECAGONAL QUASI-CRYSTALS; VIBRATIONAL-RELAXATION; QUARTZ MICROBALANCE; ADHESION PROPERTIES; SURFACE; CALIBRATION; MOTION; CO AB We present experimental results showing a significant dependence of the friction force on charge carrier concentration in a Si semiconductor sample containing p- and n-type regions. The carrier concentration was controlled through application of forward or reverse bias voltages in the p and n regions that caused surface band bending in opposite directions. Excess friction is observed only in the highly doped p regions when in strong accumulation. The excess friction increases with tip-sample voltage, contact strain, and velocity. The sample is an oxide-passivated Si (100) wafer patterned with arrays of 2-mu m-wide highly doped p-type strips with a period of 30 mu m in a nearly intrinsic n-type substrate. The countersurface is the tip of an atomic force microscope coated with conductive titanium nitride. The excess friction is not associated with wear or damage of the surface. The results demonstrate the possibility of electronically controlling friction in semiconductor devices, with potential applications in nanoscale machines containing moving parts. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dep Chem & Mat Sci & Engn, Ames, IA 50011 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RI Park, Jeong Young/A-2999-2008; Qi, Yabing/A-9243-2010; Qi, Yabing/O-7807-2014; Ogletree, D Frank/D-9833-2016 OI Qi, Yabing/0000-0002-4876-8049; Ogletree, D Frank/0000-0002-8159-0182 NR 48 TC 23 Z9 23 U1 1 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 064108 DI 10.1103/PhysRevB.76.064108 PG 7 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200023 ER PT J AU Popescu, F Sen, C Dagotto, E Moreo, A AF Popescu, F. Sen, C. Dagotto, E. Moreo, A. TI Crossover from impurity to valence band in diluted magnetic semiconductors: Role of Coulomb attraction by acceptors SO PHYSICAL REVIEW B LA English DT Article ID DOUBLE-EXCHANGE MODEL; MEAN-FIELD THEORY; ELECTRONIC-STRUCTURE; GALLIUM-ARSENIDE; PHOTOEMISSION-SPECTROSCOPY; INFINITE DIMENSIONS; MANGANESE ACCEPTOR; CURIE-TEMPERATURE; FERROMAGNETISM; GA1-XMNXAS AB The crossover between an impurity band (IB) and a valence band (VB) regime as a function of the magnetic impurity concentration in a model for diluted magnetic semiconductors (DMSs) is studied systematically by taking into consideration the Coulomb attraction between the carriers and the magnetic impurities. The density of states and the ferromagnetic transition temperature of a spin-fermion model applied to DMSs are evaluated using dynamical mean-field theory and Monte Carlo (MC) calculations. It is shown that the addition of a square-well-like attractive potential can generate an IB at small enough Mn doping x for values of the p-d exchange J that are not strong enough to generate one by themselves. We observe that the IB merges with the VB when x >= x(c) where x(c) is a function of J and the Coulomb strength V. Using MC simulations, we demonstrate that the range of the Coulomb attraction plays an important role. While the on-site attraction, which has been used in previous numerical simulations, effectively renormalizes J for all values of x, an unphysical result, a nearest-neighbor range attraction renormalizes J only at very low dopings, i.e., until the bound holes wave functions start to overlap. Thus, our results indicate that the Coulomb attraction can be neglected to study Mn-doped GaSb, GaAs, and GaP in the relevant doping regimes, but it should be included in the case of Mn-doped GaN, which is expected to be in the IB regime. C1 Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Popescu, F (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. NR 55 TC 13 Z9 13 U1 0 U2 7 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 AUG PY 2007 VL 76 IS 8 AR 085206 DI 10.1103/PhysRevB.76.085206 PG 8 WC Physics, Condensed Matter SC Physics GA 206AD UT WOS:000249155400047 ER PT J AU Porta, M Castan, T Lloveras, P Planes, A Saxena, A AF Porta, Marcel Castan, Teresa Lloveras, Pol Planes, Antoni Saxena, Avadh TI Spatially correlated disorder in self-organized precursor magnetic nanostructures SO PHYSICAL REVIEW B LA English DT Article ID DOMAIN-STRUCTURES; ALLOYS; BEHAVIOR AB We study the scaling behavior of the characteristic length of precursor magnetic nanostructures above the Curie temperature with the correlation length of quenched- in disorder. We found that the modulation length of the nanostructures xi follows the scaling law xi similar to root(D) over bar, where (D) over bar is the average size of the magnetized regions in the material. The scaling behavior of the average size of these regions, (D) over bar, with the correlation length of the disorder, sigma, depends on the properties of the disorder. For Gaussian disorder, we find that (D) over bar scales with the disorder correlation length as (D) over bar similar to sigma (a/2), where a is the exponent of the leading term of the pair correlation function of the disorder in the limit r -> 0, Gamma (r) approximate to epsilon[1-(1/a)(r/sigma)(a)]. These results are quite general and applicable to other systems, e. g., ferroelectric precursors, independent of the nature of the long- range dipolar forces. C1 Univ Barcelona, Dept Estructura & Constituents Mat, E-08028 Barcelona, Catalonia, Spain. Univ Barcelona, Inst Nanciencia & Nanotecnol, E-08028 Barcelona, Catalonia, Spain. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Porta, M (reprint author), Univ Barcelona, Dept Estructura & Constituents Mat, Diagonal 647, E-08028 Barcelona, Catalonia, Spain. RI Lloveras, Pol/M-3775-2014; Planes, Antoni/O-1904-2015; OI Lloveras, Pol/0000-0003-4133-2223; Planes, Antoni/0000-0001-5213-5714; Porta Tena, Marcel/0000-0001-7582-9671 NR 15 TC 2 Z9 2 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054432 DI 10.1103/PhysRevB.76.054432 PG 7 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100103 ER PT J AU Prozorov, R Prozorov, T Mallapragada, SK Narasimhan, B Williams, TJ Bazylinski, DA AF Prozorov, Ruslan Prozorov, Tanya Mallapragada, Surya K. Narasimhan, Balaji Williams, Timothy J. Bazylinski, Dennis A. TI Magnetic irreversibility and the Verwey transition in nanocrystalline bacterial magnetite SO PHYSICAL REVIEW B LA English DT Article ID MAGNETOTACTIC BACTERIA; AMORPHOUS FE2O3; MARINE; NANOPARTICLES; TEMPERATURE; FE3O4; PERSPECTIVE; RELAXATION; CRYSTALS; POWDER AB The magnetic properties of biologically produced magnetite nanocrystals biomineralized by four different magnetotactic bacteria were compared to those of synthetic magnetite nanocrystals and large, high-quality single crystals. The magnetic feature at the Verwey temperature T(V) was clearly seen in all nanocrystals, although its sharpness depended on the shape of individual nanoparticles and whether or not the particles were arranged in magnetosome chains. The transition was broader in the individual superparamagnetic nanoparticles for which T(B)< T(V), where T(B) is the superparamagnetic blocking temperature. For nanocrystals organized in chains, the effective blocking temperature T(B)>T(V) and the Verwey transition is sharply defined. No correlation between particle size and T(V) was found. Furthermore, measurements of M(H,T,time) suggest that magnetosome chains behave as long magnetic dipoles where the local magnetic field is directed along the chain. This result confirms that time-logarithmic magnetic relaxation is due to the collective (dipolar) nature of the barrier for magnetic moment reorientation. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA. RP Prozorov, R (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RI Prozorov, Ruslan/A-2487-2008; Mallapragada, Surya/F-9375-2012; Narasimhan, Balaji/A-5487-2008 OI Prozorov, Ruslan/0000-0002-8088-6096; Narasimhan, Balaji/0000-0002-7955-5353 NR 46 TC 59 Z9 59 U1 2 U2 25 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054406 DI 10.1103/PhysRevB.76.054406 PG 10 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100077 ER PT J AU Reichhardt, C Reichhardt, CJO AF Reichhardt, C. Reichhardt, C. J. Olson TI Vortex molecular crystal and vortex plastic crystal states in honeycomb and kagome pinning arrays SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTING FILMS; MAGNETIC DIPOLES; REGULAR ARRAY; LATTICE; COMMENSURATE; GRAPHITE; DYNAMICS; DEFECTS; MODEL; DOTS AB Using numerical simulations, we investigate vortex configurations and pinning in superconductors with honeycomb and kagome pinning arrays. We find that a variety of vortex crystal states can be stabilized at integer and fractional matching field densities. The honeycomb and kagome pinning arrays produce considerably more pronounced commensuration peaks in the critical depinning force than triangular pinning arrays, and also cause additional peaks at noninteger matching fields where a portion of the vortices are located in the large interstitial regions of the pinning lattices. For the honeycomb pinning array, we find matching effects of equal strength at most fillings B/B-phi=n/2 for n > 2, where n is an integer, in agreement with recent experiments. For kagome pinning arrays, pronounced matching effects generally occur at B/B-phi=n/3 for n > 3, while for triangular pinning arrays pronounced matching effects are observed only at integer fillings B/B-phi=n. At the noninteger matching field peaks in the honeycomb and kagome pinning arrays, the interstitial vortices are arranged in dimer, trimer, and higher order n-mer states that have an overall orientational order. We call these n-mer states "vortex molecular crystals" and "vortex plastic crystals" since they are similar to the states recently observed in colloidal molecular crystal systems. We argue that the vortex molecular crystals have properties in common with certain spin systems such as Ising and n-state Potts models. We show that kagome and honeycomb pinning arrays can be useful for increasing the critical current above that of purely triangular pinning arrays. 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 Reichhardt, C (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Reichhardt, Cynthia/0000-0002-3487-5089 NR 46 TC 34 Z9 34 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 064523 DI 10.1103/PhysRevB.76.064523 PG 17 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200111 ER PT J AU Rossnagel, K Smith, NV AF Rossnagel, K. Smith, N. V. TI Spin-orbit splitting, Fermi surface topology, and charge-density-wave gapping in 2H-TaSe2 SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; LAYER COMPOUNDS; BAND-STRUCTURES; MECHANISM; 2H-NBSE2; 1T-TAS2; STATE AB Empirical tight-binding calculations on the layer compound 2H-TaSe2 have been performed and are found to replicate the basic phenomenology of Fermi surface topology and charge-density-wave gapping as revealed by angle-resolved photoemission spectroscopy (ARPES). The recently discovered piece of Fermi surface having a "dog's bone" shape is a consequence of the large spin-orbit splitting of Ta 5d levels. The 3x3 reconstruction, simulated here by bond strengthenings and weakenings, gives rise to gapping, predominantly on the K(H)-centered Fermi surface pocket in agreement with ARPES data. The concept of nesting is not used in the analysis. C1 Univ Kiel, Inst Expt & Angew Phys, D-24098 Kiel, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Rossnagel, K (reprint author), Univ Kiel, Inst Expt & Angew Phys, Olshaussenstr 40, D-24098 Kiel, Germany. EM rossnagel@physik.uni-kiel.de RI Rossnagel, Kai/F-8822-2011 OI Rossnagel, Kai/0000-0001-5107-0090 NR 31 TC 13 Z9 13 U1 4 U2 32 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 AUG PY 2007 VL 76 IS 7 AR 073102 DI 10.1103/PhysRevB.76.073102 PG 4 WC Physics, Condensed Matter SC Physics GA 206AC UT WOS:000249155300002 ER PT J AU Scharff, RJ McGrane, SD AF Scharff, R. Jason McGrane, Shawn D. TI Si-H bond dynamics in hydrogenated amorphous silicon SO PHYSICAL REVIEW B LA English DT Article ID MULTIDIMENSIONAL INFRARED-SPECTROSCOPY; 2D IR SPECTROSCOPY; FILM SOLAR-CELLS; VIBRATIONAL SPECTROSCOPY; ELECTRONIC SPECTROSCOPY; COLLISION MODEL; ALPHA-HELIX; ISOTOPOMERS; SPECTRA; METASTABILITY AB The ultrafast structural dynamics of the Si-H bond in the rigid solvent environment of an amorphous silicon thin film is investigated using two-dimensional infrared four-wave mixing techniques. The two-dimensional infrared (2DIR) vibrational correlation spectrum resolves the homogeneous line shapes (< 2.5 cm(-1) linewidth) of the 0 -> 1 and 1 -> 2 vibrational transitions within the extensively inhomogeneously broadened (78 cm(-1) linewidth) Si-H vibrational band. There is no spectral diffusion evident in correlation spectra obtained at 0.2, 1, and 4 ps waiting times. The Si-H stretching mode anharmonic shift is determined to be 84 cm(-1) and decreases slightly with vibrational frequency. The 1 -> 2 linewidth increases with vibrational frequency. Frequency dependent vibrational population times measured by transient grating spectroscopy are also reported. The narrow homogeneous line shape, large inhomogeneous broadening, and lack of spectral diffusion reported here present the ideal backdrop for using a 2DIR probe following electronic pumping to measure the transient structural dynamics implicated in the Staebler-Wronski degradation [Appl. Phys. Lett. 31, 292 (1977)] in a-Si:H based solar cells. C1 Los Alamos Natl Lab, Dynam & Energet Mat Div, Los Alamos, NM 87545 USA. RP Scharff, RJ (reprint author), Los Alamos Natl Lab, Dynam & Energet Mat Div, POB 1663, Los Alamos, NM 87545 USA. OI Mcgrane, Shawn/0000-0002-2978-3980; Scharff, Robert/0000-0002-1708-8964 NR 54 TC 1 Z9 1 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054301 DI 10.1103/PhysRevB.76.054301 PG 9 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100063 ER PT J AU Shapiro, SM Xu, GY Winn, BL Schlagel, DL Lograsso, T Erwin, R AF Shapiro, S. M. Xu, Guangyong Winn, B. L. Schlagel, D. L. Lograsso, T. Erwin, R. TI Anomalous phonon behavior in the high-temperature shape-memory alloy Ti50Pd50-xCrx SO PHYSICAL REVIEW B LA English DT Article ID PREMARTENSITIC PHENOMENA; ELECTRON-MICROSCOPY; PHASE; TRANSFORMATION; TI50PD42CR8 AB Ti50Pd50-xCrx is a high-temperature shape-memory alloy with a martensitic transformation temperature strongly dependent on the Cr composition. Prior to the transformation, a premartensitic phase is present with an incommensurate modulated cubic lattice with wave vector of q(0)=(0.22,0.22,0). The temperature dependence of the diffuse scattering in the cubic phase is measured as a function temperature for x=6.5, 8.5, and 10 at. %. The lattice dynamics has been studied and reveals anomalous temperature and q dependences of the [110]-TA(2) transverse phonon branch. The phonon linewidth is broad over the entire Brillouin zone and increases with decreasing temperature, contrary to the behavior expected for anharmonicity. No anomaly is observed at q(0). The results are compared with first principles calculation of the phonon structure. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. Iowa State Univ, Ames Lab & Mat Sci & Engn, Ames, IA 50011 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Shapiro, SM (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RI Xu, Guangyong/A-8707-2010; Winn, Barry/A-5065-2016 OI Xu, Guangyong/0000-0003-1441-8275; Winn, Barry/0000-0001-6383-4318 NR 29 TC 5 Z9 5 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054305 DI 10.1103/PhysRevB.76.054305 PG 8 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100067 ER PT J AU Singh, DJ AF Singh, D. J. TI Electronic and thermoelectric properties of CuCoO2: Density functional calculations SO PHYSICAL REVIEW B LA English DT Article AB Density functional calculations are used to elucidate the electronic structure and some transport properties of CuCoO2. We find an electronic structure with similarities to NaxCoO2, although it is much less two dimensional. In particular, there are narrow manifolds of t(2g) and e(g) states. Application of Boltzmann transport theory to the calculated band structure shows high thermopowers comparable to NaxCoO2 for both p- and n-type doping. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Singh, DJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RI Singh, David/I-2416-2012 NR 23 TC 43 Z9 43 U1 3 U2 47 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 8 AR 085110 DI 10.1103/PhysRevB.76.085110 PG 4 WC Physics, Condensed Matter SC Physics GA 206AD UT WOS:000249155400022 ER PT J AU Singh, DJ Gupta, M AF Singh, D. J. Gupta, M. TI Anomalous structural behavior and electronic structure in ZrBe2Hx: Density functional calculations SO PHYSICAL REVIEW B LA English DT Article ID INTERMETALLIC COMPOUNDS; NEUTRON-SCATTERING; HYDRIDES; MGB2; SUPERCONDUCTIVITY; HYDROGEN; NMR; DIFFUSION; BORON AB Density functional calculations are reported for ZrBe2, ZrBe2H2, and supercells representing ZrBe2Hx. We find that the H positions are soft in the sense that displacements along the hexagonal c axis are energetically favored for some orderings and displacement patterns. This is discussed in relation to the anomalous structural and nuclear magnetic resonance data reported for this compound. The mechanism for this softness is related to the electronic structure, specifically coupling to strongly hybridized bands occurring near the Fermi energy. In particular, certain patterns of H shifts along the c axis strongly mix H s and Zr d bands, leading to strong coupling between these shifts and bands at the Fermi energy and instabilities of phonons with these displacement patterns. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Univ Paris 11, EA3547, F-91405 Orsay, France. RP Singh, DJ (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RI Singh, David/I-2416-2012 NR 31 TC 1 Z9 1 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 7 AR 075120 DI 10.1103/PhysRevB.76.075120 PG 6 WC Physics, Condensed Matter SC Physics GA 206AC UT WOS:000249155300057 ER PT J AU Singh, J AF Singh, Jai TI Radiative recombination and lifetime of a triplet excitation mediated by spin-orbit coupling in amorphous semiconductors SO PHYSICAL REVIEW B LA English DT Article ID A-SI-H; NON-GEMINATE PAIRS; GE-H; PHOTOLUMINESCENCE; PHOSPHORESCENCE; ANTHRACENE; CRYSTALS; EXCITONS AB A charge carrier spin-photon interaction time-dependent transition operator is derived and used for calculating the rate of spontaneous emission of a photon from the radiative recombination of a triplet excited electron in atoms and molecules and triplet excitons in amorphous semiconductors. The derived results are then applied to the hydrogenated amorphous silicon (a-Si:H) to calculate the rate of spontaneous emission and radiative lifetime of triplet excitons. The temperature dependence of the rate of emission is also studied. The calculated radiative lifetimes are compared with the recent experimental results and good agreement was found. The theory is general and can be applied to any amorphous materials, including organic solids. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Singh, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 31 TC 18 Z9 18 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 8 AR 085205 DI 10.1103/PhysRevB.76.085205 PG 11 WC Physics, Condensed Matter SC Physics GA 206AD UT WOS:000249155400046 ER PT J AU Stishov, SM Petrova, AE Khasanov, S Panova, GK Shikov, AA Lashley, JC Wu, D Lograsso, TA AF Stishov, S. M. Petrova, A. E. Khasanov, S. Panova, G. Kh. Shikov, A. A. Lashley, J. C. Wu, D. Lograsso, T. A. TI Magnetic phase transition in the itinerant helimagnet MnSi: Thermodynamic and transport properties SO PHYSICAL REVIEW B LA English DT Article ID WEAK FERROMAGNETISM; PRESSURE AB A careful study of thermodynamic and transport properties of a high-quality single crystal of MnSi at ambient pressure suggests that its transition to a helical magnetic state near 29 K is weakly first order. The heat capacity, temperature derivative of resistivity, thermal expansion, and magnetic susceptibility exhibit a specific structure around the phase transition point, interpreted as a combination of first- and second-order features. Striking mirror symmetry between the temperature derivative of resistivity and the thermal expansion coefficient is observed. Conclusions drawn from these experiments question prevailing views on the phase diagram of MnSi. C1 Inst High Pressure Phys, Troitsk, Moscow Region, Russia. Inst Solid State Phys, Chernogolovka, Moscow Region, Russia. Russian Res Ctr, Kurchatov Inst, Moscow, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Stishov, SM (reprint author), Inst High Pressure Phys, Troitsk, Moscow Region, Russia. EM sergei@hppi.troitsk.ru RI Khasanov, Salavat/R-8690-2016 NR 23 TC 71 Z9 73 U1 7 U2 35 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 052405 DI 10.1103/PhysRevB.76.052405 PG 4 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100012 ER PT J AU Stock, C Xu, GY Gehring, PM Luo, H Zhao, X Cao, H Li, JF Viehland, D Shirane, G AF Stock, C. Xu, Guangyong Gehring, P. M. Luo, H. Zhao, X. Cao, H. Li, J. F. Viehland, D. Shirane, G. TI Neutron and x-ray diffraction study of cubic [111] field-cooled Pb(Mg1/3Nb2/3)O-3 SO PHYSICAL REVIEW B LA English DT Article ID RELAXOR FERROELECTRIC PBMG1/3NB2/3O3; QUASI-ELASTIC SCATTERING; PHASE-TRANSITIONS; SINGLE-CRYSTALS; LEAD MAGNONIOBATE; ELECTRIC-FIELD; BEHAVIOR; PB(ZN1/3NB2/3)O3; FE0.5ZN0.5F2 AB Neutron and x-ray diffraction techniques have been used to study the competing long- and short-range polar order in the relaxor ferroelectric Pb(Mg1/3Nb2/3)O-3 (PMN) under a [111] applied electric field. Despite reports of a structural transition from a cubic phase to a rhombohedral phase for fields E>1.7 kV/cm, we find that the bulk unit cell remains cubic (within a sensitivity of 90 degrees-alpha=0.03 degrees) for fields up to 8 kV/cm. Furthermore, we observe a structural transition confined to the near surface volume or "skin" of the crystal where the cubic cell is transformed to a rhombohedral unit cell at T-c=210 K for E>4 kV/cm, for which 90 degrees-alpha=0.08 +/- 0.03 degrees below 50 K. While the bulk unit cell remains cubic, a suppression of the diffuse scattering and concomitant enhancement of the Bragg peak intensity is observed below T-c=210 K, indicating a more ordered structure with increasing electric field yet an absence of a long-range ferroelectric ground state in the bulk. The electric field strength has little effect on the diffuse scattering above T-c, however, below T-c the diffuse scattering is reduced in intensity and adopts an asymmetric line shape in reciprocal space. The absence of hysteresis in our neutron measurements (on the bulk) and the presence of two distinct temperature scales suggests that the ground state of PMN is not a frozen glassy phase as suggested by some theories but is better understood in terms of random fields introduced through the presence of structural disorder. Based on these results, we also suggest that PMN represents an extreme example of the two-length scale problem, and that the presence of a distinct skin may be necessary for a relaxor ground state. C1 Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. Chinese Acad Sci, Shanghai Inst Ceram, Shanghai 201800, Peoples R China. Virginia Polytech Inst & State Univ, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Stock, C (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. RI Xu, Guangyong/A-8707-2010; Zhao, Xiangyong/A-1743-2013; OI Xu, Guangyong/0000-0003-1441-8275; Gehring, Peter/0000-0002-9236-2046 NR 63 TC 33 Z9 33 U1 1 U2 26 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 AUG PY 2007 VL 76 IS 6 AR 064122 DI 10.1103/PhysRevB.76.064122 PG 11 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200037 ER PT J AU Sulkowski, C Klimczuk, T Cava, RJ Rogacki, K AF Sulkowski, C. Klimczuk, T. Cava, R. J. Rogacki, K. TI Effect of substituting Fe and Ru for Ni on the thermopower of MgCNi3 SO PHYSICAL REVIEW B LA English DT Article ID NONOXIDE PEROVSKITE MGCNI3; ELECTRONIC-STRUCTURE; PHYSICAL-PROPERTIES; SUPERCONDUCTIVITY AB The intermetallic perovskite MgCNi3 is a superconductor with a T-c=7 K. Substitution of Fe and Ru for Ni decreases T-c monotonically as the doping concentration is increased. Here we report thermopower measurements S(T) on MgCNi3, MgCNi3-xFex, and MgCNi3-xRux. For MgCNi3 the thermopower is negative, -12.5 mu V/K, at 300 K. The absolute value of S decreases as x increases in MgCNi3-xFex and MgCNi3-xRux. The sign of S changes from negative to positive at low temperatures for values of x>0.01. These data show that the carriers in MgCNi3 are electrons, and by increasing x and decreasing temperature, the participation of hole carriers clearly increases. The influence of the magnetic moments of the Fe atoms on the thermopower is not visible. C1 Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw, Poland. Gdansk Univ Technol, Fac Appl Phys & Math, PL-80952 Gdansk, Poland. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. RP Sulkowski, C (reprint author), Polish Acad Sci, Inst Low Temp & Struct Res, POB 1410, PL-50950 Wroclaw, Poland. RI Klimczuk, Tomasz/M-1716-2013 OI Klimczuk, Tomasz/0000-0003-2602-5049 NR 26 TC 5 Z9 5 U1 2 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 060501 DI 10.1103/PhysRevB.76.060501 PG 4 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200012 ER PT J AU Swift, DC Seifter, A Holtkamp, DB Clark, DA AF Swift, Damian C. Seifter, Achim Holtkamp, David B. Clark, David A. TI Shock and release temperatures in molybdenum: Experiment and theory SO PHYSICAL REVIEW B LA English DT Article ID PLASTIC WORK; HEAT; METALS; STRAIN; ENERGY AB Shock and release temperatures in Mo were calculated, taking heating from plastic flow predicted using the Steinberg-Guinan model into account. Plastic flow was calculated self-consistently with the shock jump conditions: this is necessary for a rigorous estimate of the locus of shock states accessible. Plastic heating increased monotonically with shock pressure and subsequent release, reaching an estimated 50 K at a pressure of 60 GPa, and around 120 K on release to zero pressure. The temperatures were compared with surface emission spectrometry measurements for Mo shocked to around 60 GPa and then released into vacuum or into a LiF window. Shock loading was induced by the impact of a planar projectile, accelerated by high explosive or in a gas gun. Surface velocimetry showed an elastic wave at the start of release from the shocked state; the amplitude of the elastic wave matched the prediction to around 10%, indicating that the predicted flow stress in the shocked state was reasonable. The measured temperatures were consistent with the simulations, indicating that the fraction of plastic work converted to heat was in the range 70%-100% for these loading conditions. The shock temperature predicted with plastic heating was consistent with a reanalyzed temperature from neutron resonance spectrometry. C1 Los Alamos Natl Lab, Div Phys, Grp P 24, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Phys, Grp P 22, Los Alamos, NM 87545 USA. RP Swift, DC (reprint author), Los Alamos Natl Lab, Div Phys, Grp P 24, MS E526, Los Alamos, NM 87545 USA. EM dswift@lanl.gov NR 28 TC 10 Z9 10 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054122 DI 10.1103/PhysRevB.76.054122 PG 9 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100048 ER PT J AU Weck, G Loubeyre, P Eggert, JH Mezouar, M Hanfland, M AF Weck, Gunnar Loubeyre, Paul Eggert, Jon H. Mezouar, Mohamed Hanfland, Michael TI Melting line and fluid structure factor of oxygen up to 24 GPa SO PHYSICAL REVIEW B LA English DT Article ID X-RAY INTENSITIES; SOLID OXYGEN; HIGH-DENSITY; PHASE; NITROGEN; TEMPERATURE; TRANSITION; NEUTRON; H-2 AB Using synchrotron x-ray diffraction and Raman spectroscopy, we have measured the structural properties of dense fluid O-2 up to 24 GPa. A quantitative evolution with pressure of the structure factor of a low-Z molecular fluid is obtained here for the first time under pressure. No evidence of molecular association is observed here in contrast to what has been observed in the cryo-O-2 fluid or in the solid above 12 GPa. The melting curve, which can evidence structural changes in the fluid or the solid, has also been measured up to 750 K by direct visualization of the solid-fluid equilibrium. No unusual behavior is observed hence invalidating a previous report. C1 CEA, DIF DPTA SPMC, F-91680 Bruyeres Le Chatel, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. European Synchrotron Radiat Facil, F-38043 Grenoble, France. RP Weck, G (reprint author), CEA, DIF DPTA SPMC, F-91680 Bruyeres Le Chatel, France. NR 31 TC 12 Z9 12 U1 1 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054121 DI 10.1103/PhysRevB.76.054121 PG 7 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100047 ER PT J AU Ye, F Lorenz, B Huang, Q Wang, YQ Sun, YY Chu, CW Fernandez-Baca, JA Dai, PC Mook, HA AF Ye, F. Lorenz, B. Huang, Q. Wang, Y. Q. Sun, Y. Y. Chu, C. W. Fernandez-Baca, J. A. Dai, Pengcheng Mook, H. A. TI Incommensurate magnetic structure in the orthorhombic perovskite ErMnO3 SO PHYSICAL REVIEW B LA English DT Article ID FERROELECTRICITY; MULTIFERROICS; POLARIZATION; YMNO3; HO; ER AB By combining dielectric, specific heat, and magnetization measurements and high-resolution neutron powder diffraction, we have investigated the thermodynamic and magnetic and structural properties of the metastable orthorhombic perovskite ErMnO3 prepared by high-pressure synthesis. The system becomes antiferromagnetically correlated below 42 K and undergoes a lock-in transition at 28 K with propagation wave vector (0,k(b),0), which remains incommensurate at low temperature. The intercorrelation between the magnetic structure and electric properties and the role of the rare earth moment are discussed. C1 Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. Univ Houston, TCSUH, Houston, TX 77204 USA. Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Ye, F (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RI Ye, Feng/B-3210-2010; Dai, Pengcheng /C-9171-2012; Fernandez-Baca, Jaime/C-3984-2014 OI Ye, Feng/0000-0001-7477-4648; Dai, Pengcheng /0000-0002-6088-3170; Fernandez-Baca, Jaime/0000-0001-9080-5096 NR 30 TC 28 Z9 28 U1 3 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 6 AR 060402 DI 10.1103/PhysRevB.76.060402 PG 4 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200004 ER PT J AU Yunoki, S Moreo, A Dagotto, E Okamoto, S Kancharla, SS Fujimori, A AF Yunoki, S. Moreo, A. Dagotto, E. Okamoto, S. Kancharla, S. S. Fujimori, A. TI Electron doping of cuprates via interfaces with manganites SO PHYSICAL REVIEW B LA English DT Article ID CHEMICAL-POTENTIAL SHIFT; X-RAY-SCATTERING; THIN-FILMS; PHASE-SEPARATION; UNDERDOPED LA2-XSRXCUO4; SUPERCONDUCTING OXIDES; RESONANT-PHOTOEMISSION; INSULATOR-TRANSITION; MOTT INSULATOR; WORK FUNCTION AB The electron doping of undoped high-T-c cuprates via the transfer of charge from manganites (or other oxides) using heterostructure geometries is discussed theoretically here. This possibility is mainly addressed via a detailed analysis of photoemission and diffusion voltage experiments, which locate the Fermi level of manganites above the bottom of the upper-Hubbard band of some cuprate parent compounds. A diagram with the relative location of Fermi levels and gaps for several oxides is presented. The procedure discussed here is generic, allowing for the qualitative prediction of the charge flow direction at several oxide interfaces. The addition of electrons to antiferromagnetic Cu oxides may lead to a superconducting state at the interface with minimal quenched disorder. Model calculations using static and dynamical mean-field theory, supplemented by a Poisson equation formalism to address charge redistribution at the interface, support this view. The magnetic state of the manganites could be antiferromagnetic or ferromagnetic. The former is better to induce superconductivity than the latter, since the spin-polarized charge transfer will be detrimental to singlet superconductivity. It is concluded that in spite of the robust Hubbard gaps, the electron doping of undoped cuprates at interfaces appears possible, and its realization may open an exciting area of research in oxide heterostructures. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. RP Yunoki, S (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RI Yunoki, Seiji/B-1831-2008; Okamoto, Satoshi/G-5390-2011 OI Okamoto, Satoshi/0000-0002-0493-7568 NR 75 TC 70 Z9 71 U1 2 U2 24 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 AUG PY 2007 VL 76 IS 6 AR 064532 DI 10.1103/PhysRevB.76.064532 PG 11 WC Physics, Condensed Matter SC Physics GA 206AB UT WOS:000249155200120 ER PT J AU Zheludev, A Garlea, VO Masuda, T Manaka, H Regnault, LP Ressouche, E Grenier, B Chung, JH Qiu, Y Habicht, K Kiefer, K Boehm, M AF Zheludev, A. Garlea, V. O. Masuda, T. Manaka, H. Regnault, L.-P. Ressouche, E. Grenier, B. Chung, J.-H. Qiu, Y. Habicht, K. Kiefer, K. Boehm, M. TI Dynamics of quantum spin liquid and spin solid phases in IPA-CuCl3 under an applied magnetic field studied with neutron scattering SO PHYSICAL REVIEW B LA English DT Article ID HEISENBERG; (CH3)(2)CHNH3CUCL3; ANTIFERROMAGNETS; CONDENSATION; CHAIN; STATE AB Inelastic and elastic neutron scattering is used to study spin correlations in the quasi-one-dimensional quantum antiferromagnet IPA-CuCl3 in strong applied magnetic fields. A condensation of magnons and commensurate transverse long-range ordering is observe at a critical field H-c=9.5 T. The field dependencies of the energies and polarizations of all magnon branches are investigated both below and above the transition point. Their dispersion is measured across the entire one-dimensional Brillouin zone in magnetic fields up to 14 T. The critical wave vector of magnon spectrum truncation [Masuda , Phys. Rev. Lett. 96, 047210 (2006)] is found to shift from h(c)approximate to 0.35 at H < H-c to h(c)=0.25 for H>H-c. A drastic reduction of magnon bandwidths in the ordered phase [Garlea , Phys. Rev. Lett. 98, 167202 (2007)] is observed and studied in detail. New features of the spectrum, presumably related to this bandwidth collapse, are observed just above the transition field. C1 Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. Yokohama City Univ, Int Grad Sch Arts & Sci, Kanazawa Ku, Yokohama, Kanagawa 2360027, Japan. Kagoshima Univ, Grad Sch Sci & Engn, Kagoshima 8900065, Japan. CEA Grenoble, DRFMC SPSMS MDN, F-38054 Grenoble 9, France. Natl Inst Stand & Technol, NCNR, Gaithersburg, MD 20899 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. Hahn Meitner Inst Berlin GmbH, BENSC, D-14109 Berlin, Germany. Inst Laue Langevin, F-38042 Grenoble 9, France. RP Zheludev, A (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RI Kiefer, Klaus/J-3544-2013; Garlea, Vasile/A-4994-2016; Habicht, Klaus/K-3636-2013 OI Kiefer, Klaus/0000-0002-5178-0495; Garlea, Vasile/0000-0002-5322-7271; Habicht, Klaus/0000-0002-9915-7221 NR 29 TC 28 Z9 28 U1 0 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054450 DI 10.1103/PhysRevB.76.054450 PG 10 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100121 ER PT J AU Zong, X Niazi, A Borsa, F Ma, X Johnston, DC AF Zong, X. Niazi, A. Borsa, F. Ma, X. Johnston, D. C. TI Structure, magnetization, and NMR studies of the spin-glass compound (LixV1-x)(3)BO5 (x approximate to 0.40 and 0.33) SO PHYSICAL REVIEW B LA English DT Article ID HOST NUCLEAR-RESONANCE; MONTE-CARLO; TIME DECAY; RELAXATION; DYNAMICS; TRANSITION; FIELD; CUMN; PHASE; MODEL AB Structural and magnetic properties of (LixV1-x)(3)BO5 powders (x=0.33) and single crystals (x=0.40) were studied by x-ray diffraction, magnetization, and NMR measurements. Both powder and single crystal x-ray diffraction data are consistent with the previously reported structure of the system. Magnetization measurements show an overall antiferromagnetic interaction among vanadium spins and reveal a transition into a spin glass state at a sample and magnetic field dependent temperature below similar to 10 K. The high temperature (T > 20 K) susceptibility is analyzed using a linear spin trimer model suggested in the literature but such a model is found to be insufficient to explain the data. Li-7 and B-11 NMR studies indicate an inhomogeneous dynamics close to the zero-field spin-glass transition temperature. The distribution of electronic spin relaxation times is derived using a recently proposed method and the broad temperature-dependent distribution obtained gives a consistent description of the NMR results. The temperature dependence of the distribution indicates a strong slowing down of the local moment spin dynamics as the system cools toward the zero-field spin-glass transition temperature even in the presence of a strong applied magnetic field up to 4.7 T. C1 Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Zong, X (reprint author), Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. RI Ma, Xiaofei/B-3569-2011; Zong, Xiaopeng/F-1529-2011 NR 69 TC 2 Z9 2 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-0121 J9 PHYS REV B JI Phys. Rev. B PD AUG PY 2007 VL 76 IS 5 AR 054452 DI 10.1103/PhysRevB.76.054452 PG 15 WC Physics, Condensed Matter SC Physics GA 206AA UT WOS:000249155100123 ER PT J AU Abelev, BI Aggarwal, MM Ahammed, Z Anderson, BD Arkhipkin, D Averichev, GS Bai, Y Balewski, J Barannikova, O Barnby, LS Baudot, J Baumgart, S Belaga, VV Bellingeri-Laurikainen, A Bellwied, R Benedosso, F Betts, RR Bhardwaj, S Bhasin, A Bhati, AK Bichsel, H Bielcik, J Bielcikova, J Bland, LC Blyth, SL Bombara, M Bonner, BE Botje, M Bouchet, J Brandin, AV Burton, TP Bystersky, M Cai, XZ Caines, H Sanchez, CDLB Callner, J Catu, O Cebra, D Cervantes, MC Chajecki, Z Chaloupka, P Chattopadhyay, S Chen, HF Chen, JH Chen, JY Cheng, J Cherney, M Chikanian, A Christie, W Chung, SU Clarke, RF Codrington, MJM Coffin, JP Cormier, TM Cosentino, MR Cramer, JG Crawford, HJ Das, D Dash, S Daugherity, M de Moura, MM Dedovich, TG DePhillips, M Derevschikov, AA Didenko, L Dietel, T Djawotho, P Dogra, SM Dong, X Drachenberg, JL Draper, JE Du, F Dunin, VB Dunlop, JC Mazumdar, MRD Edwards, WR Efimov, LG Emelianov, V Engelage, J Eppley, G Erazmus, B Estienne, M Fachini, P Fatemi, R Fedorisin, J Feng, A Filip, P Finch, E Fine, V Fisyak, Y Fu, J Gagliardi, CA Gaillard, L Ganti, MS Garcia-Solis, E Ghazikhanian, V Ghosh, P Gorbunov, YN Gos, H Grebenyuk, O Grosnick, D Grube, B Guertin, SM Guimaraes, KSFF Gupta, A Gupta, N Haag, B Hallman, TJ Hamed, A Harris, JW He, W Heinz, M Henry, TW Heppelmann, S Hippolyte, B Hirsch, A Hjort, E Hoffman, AM Hoffmann, GW Hofman, DJ Hollis, RS Horner, MJ Huang, HZ Hughes, EW Humanic, TJ Igo, G Iordanova, A Jacobs, P Jacobs, WW Jakl, P Jones, PG Judd, EG Kabana, S Kang, K Kapitan, J Kaplan, M Keane, D Kechechyan, A Kettler, D Khodyrev, VY Kiryluk, J Kisiel, A Kislov, EM Klein, SR Knospe, AG Kocoloski, A Koetke, DD Kollegger, T Kopytine, M Kotchenda, L Kouchpil, V Kowalik, KL Kravtsov, P Kravtsov, VI Krueger, K Kuhn, C Kulikov, AI Kumar, A Kurnadi, P Kuznetsov, AA Lamont, MAC Landgraf, JM Lange, S LaPointe, S Laue, F Lauret, J Lebedev, A Lednicky, R Lee, CH Lehocka, S LeVine, MJ Li, C Li, Q Li, Y Lin, G Lin, X Lindenbaum, SJ Lisa, MA Liu, F Liu, H Liu, J Liu, L Ljubicic, T Llope, WJ Longacre, RS Love, WA Lu, Y Ludlam, T Lynn, D Ma, GL Ma, JG Ma, YG Mahapatra, DP Majka, R Mangotra, LK Manweiler, R Margetis, S Markert, C Martin, L Matis, HS Matulenko, YA McShane, TS Meschanin, A Millane, J Miller, ML Minaev, NG Mioduszewski, S Mischke, A Mitchell, J Mohanty, B Morozov, DA Munhoz, MG Nandi, BK Nattrass, C Nayak, TK Nelson, JM Nepali, C Netrakanti, PK Nogach, LV Nurushev, SB Odyniec, G Ogawa, A Okorokov, V Olson, D Pachr, M Pal, SK Panebratsev, Y Pavlinov, AI Pawlak, T Peitzmann, T Perevoztchikov, V Perkins, C Peryt, W Phatak, SC Planinic, M Pluta, J Poljak, N Porile, N Poskanzer, AM Potekhin, M Potrebenikova, E Potukuchi, BVKS Prindle, D Pruneau, C Pruthi, NK Putschke, J Qattan, IA Raniwala, R Raniwala, S Ray, RL Relyea, D Ridiger, A Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Rose, A Roy, C Ruan, L Russcher, MJ Sahoo, R Sakrejda, I Sakuma, T Salur, S Sandweiss, J Sarsour, M Sazhin, PS Schambach, J Scharenberg, RP Schmitz, N Seger, J Selyuzhenkov, I Seyboth, P Shabetai, A Shahaliev, E Shao, M Sharma, M Shen, WQ Shimanskiy, SS Sichtermann, EP Simon, F Singaraju, RN Smirnov, N Snellings, R Sorensen, P Sowinski, J Speltz, J Spinka, HM Srivastava, B Stadnik, A Stanislaus, TDS Staszak, D Stock, R Strikhanov, M Stringfellow, B de Toledo, AS Takahashi, J Tang, AH Tarnowsky, T Thomas, JH Timmins, AR Timoshenko, S Tokarev, M Trainor, TA Trentalange, S Tribble, RE Tsai, OD Ulery, J Ullrich, T Underwood, DG Van Buren, G van der Kolk, N van Leeuwen, M Molen, AMV Varma, R Vasilevski, IM Vasiliev, AN Vernet, R Vigdor, SE Viyogi, YP Vokal, S Voloshin, SA Wada, M Waggoner, WT Wang, F Wang, G Wang, JS Wang, XL Wang, Y Webb, JC Westfall, GD Whitten, C Wieman, H Wissink, SW Witt, R Wu, J Wu, Y Xu, N Xu, QH Xu, Z Yepes, P Yoo, IK Yue, Q Yurevich, VI Zhan, W Zhang, H Zhang, WM Zhang, Y Zhang, ZP Zhao, Y Zhong, C Zhou, J Zoulkarneev, R Zoulkarneeva, Y Zubarev, AN Zuo, JX AF Abelev, B. I. Aggarwal, M. M. Ahammed, Z. Anderson, B. D. Arkhipkin, D. Averichev, G. S. Bai, Y. Balewski, J. Barannikova, O. Barnby, L. S. Baudot, J. Baumgart, S. Belaga, V. V. Bellingeri-Laurikainen, A. Bellwied, R. Benedosso, F. Betts, R. R. Bhardwaj, S. Bhasin, A. Bhati, A. K. Bichsel, H. Bielcik, J. Bielcikova, J. Bland, L. C. Blyth, S.-L. Bombara, M. Bonner, B. E. Botje, M. Bouchet, J. Brandin, A. V. Burton, T. P. Bystersky, M. Cai, X. Z. Caines, H. Sanchez, Calderon de la Barca Callner, J. Catu, O. Cebra, D. Cervantes, M. C. Chajecki, Z. Chaloupka, P. Chattopadhyay, S. Chen, H. F. Chen, J. H. Chen, J. Y. Cheng, J. Cherney, M. Chikanian, A. Christie, W. Chung, S. U. Clarke, R. F. Codrington, M. J. M. Coffin, J. P. Cormier, T. M. Cosentino, M. R. Cramer, J. G. Crawford, H. J. Das, D. Dash, S. Daugherity, M. de Moura, M. M. Dedovich, T. G. DePhillips, M. Derevschikov, A. A. Didenko, L. Dietel, T. Djawotho, P. Dogra, S. M. Dong, X. Drachenberg, J. L. Draper, J. E. Du, F. Dunin, V. B. Dunlop, J. C. Mazumdar, M. R. Dutta Edwards, W. R. Efimov, L. G. Emelianov, V. Engelage, J. Eppley, G. Erazmus, B. Estienne, M. Fachini, P. Fatemi, R. Fedorisin, J. Feng, A. Filip, P. Finch, E. Fine, V. Fisyak, Y. Fu, J. Gagliardi, C. A. Gaillard, L. Ganti, M. S. Garcia-Solis, E. Ghazikhanian, V. Ghosh, P. Gorbunov, Y. N. Gos, H. Grebenyuk, O. Grosnick, D. Grube, B. Guertin, S. M. Guimaraes, K. S. F. F. Gupta, A. Gupta, N. Haag, B. Hallman, T. J. Hamed, A. Harris, J. W. He, W. Heinz, M. Henry, T. W. Heppelmann, S. Hippolyte, B. Hirsch, A. Hjort, E. Hoffman, A. M. Hoffmann, G. W. Hofman, D. J. Hollis, R. S. Horner, M. J. Huang, H. Z. Hughes, E. W. Humanic, T. J. Igo, G. Iordanova, A. Jacobs, P. Jacobs, W. W. Jakl, P. Jones, P. G. Judd, E. G. Kabana, S. Kang, K. Kapitan, J. Kaplan, M. Keane, D. Kechechyan, A. Kettler, D. Khodyrev, V. Yu. Kiryluk, J. Kisiel, A. Kislov, E. M. Klein, S. R. Knospe, A. G. Kocoloski, A. Koetke, D. D. Kollegger, T. Kopytine, M. Kotchenda, L. Kouchpil, V. Kowalik, K. L. Kravtsov, P. Kravtsov, V. I. Krueger, K. Kuhn, C. Kulikov, A. I. Kumar, A. Kurnadi, P. Kuznetsov, A. A. Lamont, M. A. C. Landgraf, J. M. Lange, S. LaPointe, S. Laue, F. Lauret, J. Lebedev, A. Lednicky, R. Lee, C.-H. Lehocka, S. LeVine, M. J. Li, C. Li, Q. Li, Y. Lin, G. Lin, X. Lindenbaum, S. J. Lisa, M. A. Liu, F. Liu, H. Liu, J. Liu, L. Ljubicic, T. Llope, W. J. Longacre, R. S. Love, W. A. Lu, Y. Ludlam, T. Lynn, D. Ma, G. L. Ma, J. G. Ma, Y. G. Mahapatra, D. P. Majka, R. Mangotra, L. K. Manweiler, R. Margetis, S. Markert, C. Martin, L. Matis, H. S. Matulenko, Yu. A. McShane, T. S. Meschanin, A. Millane, J. Miller, M. L. Minaev, N. G. Mioduszewski, S. Mischke, A. Mitchell, J. Mohanty, B. Morozov, D. A. Munhoz, M. G. Nandi, B. K. Nattrass, C. Nayak, T. K. Nelson, J. M. Nepali, C. Netrakanti, P. K. Nogach, L. V. Nurushev, S. B. Odyniec, G. Ogawa, A. Okorokov, V. Olson, D. Pachr, M. Pal, S. K. Panebratsev, Y. Pavlinov, A. I. Pawlak, T. Peitzmann, T. Perevoztchikov, V. Perkins, C. Peryt, W. Phatak, S. C. Planinic, M. Pluta, J. Poljak, N. Porile, N. Poskanzer, A. M. Potekhin, M. Potrebenikova, E. Potukuchi, B. V. K. S. Prindle, D. Pruneau, C. Pruthi, N. K. Putschke, J. Qattan, I. A. Raniwala, R. Raniwala, S. Ray, R. L. Relyea, D. Ridiger, A. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Rose, A. Roy, C. Ruan, L. Russcher, M. J. Sahoo, R. Sakrejda, I. Sakuma, T. Salur, S. Sandweiss, J. Sarsour, M. Sazhin, P. S. Schambach, J. Scharenberg, R. P. Schmitz, N. Seger, J. Selyuzhenkov, I. Seyboth, P. Shabetai, A. Shahaliev, E. Shao, M. Sharma, M. Shen, W. Q. Shimanskiy, S. S. Sichtermann, E. P. Simon, F. Singaraju, R. N. Smirnov, N. Snellings, R. Sorensen, P. Sowinski, J. Speltz, J. Spinka, H. M. Srivastava, B. Stadnik, A. Stanislaus, T. D. S. Staszak, D. Stock, R. Strikhanov, M. Stringfellow, B. de Toledo, A. Szanto Takahashi, J. Tang, A. H. Tarnowsky, T. Thomas, J. H. Timmins, A. R. Timoshenko, S. Tokarev, M. Trainor, T. A. Trentalange, S. Tribble, R. E. Tsai, O. D. Ulery, J. Ullrich, T. Underwood, D. G. Van Buren, G. van der Kolk, N. van Leeuwen, M. Molen, A. M. Vander Varma, R. Vasilevski, I. M. Vasiliev, A. N. Vernet, R. Vigdor, S. E. Viyogi, Y. P. Vokal, S. Voloshin, S. A. Wada, M. Waggoner, W. T. Wang, F. Wang, G. Wang, J. S. Wang, X. L. Wang, Y. Webb, J. C. Westfall, G. D. Whitten, C., Jr. Wieman, H. Wissink, S. W. Witt, R. Wu, J. Wu, Y. Xu, N. Xu, Q. H. Xu, Z. Yepes, P. Yoo, I.-K. Yue, Q. Yurevich, V. I. Zhan, W. Zhang, H. Zhang, W. M. Zhang, Y. Zhang, Z. P. Zhao, Y. Zhong, C. Zhou, J. Zoulkarneev, R. Zoulkarneeva, Y. Zubarev, A. N. Zuo, J. X. TI Global polarization measurement in Au plus Au collisions SO PHYSICAL REVIEW C LA English DT Article ID RELATIVISTIC NUCLEAR COLLISIONS; TIME PROJECTION CHAMBER; STAR; PARTICLE; LAMBDA; K-S(0); FLOW AB The system created in noncentral relativistic nucleus-nucleus collisions possesses large orbital angular momentum. Because of spin-orbit coupling, particles produced in such a system could become globally polarized along the direction of the system angular momentum. We present the results of Lambda and (Lambda) over bar hyperon global polarization measurements in Au+Au collisions at root s(NN)=62.4 and 200 GeV performed with the STAR detector at the BNL Relativistic Heavy Ion Collider (RHIC). The observed global polarization of Lambda and (Lambda) over bar hyperons in the STAR acceptance is consistent with zero within the precision of the measurements. The obtained upper limit, |P-Lambda,P-(Lambda) over bar|<= 0.02, is compared with the theoretical values discussed recently in the literature. C1 Univ Illinois, Chicago, IL 60607 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Birmingham, Birmingham, W Midlands, England. Brookhaven Natl Lab, Upton, NY 11973 USA. CALTECH, Pasadena, CA 91125 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. Nucl Phys Inst AS CR, Prague 25068, Czech Republic. Joint Inst Nucl Res Dubna, Lab High Energy, Dubna, Russia. Joint Inst Nucl Res Dubna, Particle Phys Lab, Dubna, Russia. Goethe Univ Frankfurt, D-6000 Frankfurt, Germany. Inst Phys, Bhubaneswar 751005, Orissa, India. Indian Inst Technol, Bombay 400076, Maharashtra, India. Indiana Univ, Bloomington, IN 47408 USA. Inst Rech Subatom, Strasbourg, France. Univ Jammu, Jammu 180001, India. Kent State Univ, Kent, OH 44242 USA. Inst Modern Phys, Lanzhou, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. MIT, Cambridge, MA 02139 USA. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Michigan State Univ, E Lansing, MI 48824 USA. Moscow Engn Phys Inst, Moscow 115409, Russia. CUNY City Coll, New York, NY 10031 USA. NIKHEF, Amsterdam, Netherlands. Univ Utrecht, Amsterdam, Netherlands. Ohio State Univ, Columbus, OH 43210 USA. Panjab Univ, Chandigarh 160014, India. Penn State Univ, University Pk, PA 16802 USA. Inst High Energy Phys, Protvino, Russia. Purdue Univ, W Lafayette, IN 47907 USA. Pusan Natl Univ, Pusan 609735, South Korea. Univ Rajasthan, Jaipur 302004, Rajasthan, India. Rice Univ, Houston, TX 77251 USA. Univ Sao Paulo, Sao Paulo, Brazil. Univ Sci & Technol China, Hefei 230026, Peoples R China. Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. SUBATECH, Nantes, France. Texas A&M Univ, College Stn, TX 77843 USA. Univ Texas, Austin, TX 78712 USA. Tsinghua Univ, Beijing 100084, Peoples R China. Valparaiso Univ, Valparaiso, IN 46383 USA. Ctr Variable Energy Cyclotron, Kolkata 700064, India. Warsaw Univ Technol, Warsaw, Poland. Univ Washington, Seattle, WA 98195 USA. Wayne State Univ, Detroit, MI 48201 USA. CCNU HZNU, Inst Particle Phys, Wuhan 430079, Peoples R China. Yale Univ, New Haven, CT 06520 USA. Univ Zagreb, HR-10002 Zagreb, Croatia. RP Abelev, BI (reprint author), Univ Illinois, Chicago, IL 60607 USA. RI Nattrass, Christine/J-6752-2016; van der Kolk, Naomi/M-9423-2016; Inst. of Physics, Gleb Wataghin/A-9780-2017; Okorokov, Vitaly/C-4800-2017; Barnby, Lee/G-2135-2010; Voloshin, Sergei/I-4122-2013; Lednicky, Richard/K-4164-2013; Mischke, Andre/D-3614-2011; Takahashi, Jun/B-2946-2012; Cosentino, Mauro/L-2418-2014; Strikhanov, Mikhail/P-7393-2014; Dogra, Sunil /B-5330-2013; Fornazier Guimaraes, Karin Silvia/H-4587-2016; Chaloupka, Petr/E-5965-2012; Planinic, Mirko/E-8085-2012; Peitzmann, Thomas/K-2206-2012; Witt, Richard/H-3560-2012 OI Sorensen, Paul/0000-0001-5056-9391; Thomas, James/0000-0002-6256-4536; Qattan, Issam/0000-0001-5079-9840; Nattrass, Christine/0000-0002-8768-6468; van der Kolk, Naomi/0000-0002-8670-0408; Okorokov, Vitaly/0000-0002-7162-5345; Mohanty, Bedangadas/0000-0001-9610-2914; Fisyak, Yuri/0000-0002-3151-8377; Bhasin, Anju/0000-0002-3687-8179; Barnby, Lee/0000-0001-7357-9904; Takahashi, Jun/0000-0002-4091-1779; Cosentino, Mauro/0000-0002-7880-8611; Strikhanov, Mikhail/0000-0003-2586-0405; Fornazier Guimaraes, Karin Silvia/0000-0003-0578-9533; Peitzmann, Thomas/0000-0002-7116-899X; NR 29 TC 32 Z9 32 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 024915 DI 10.1103/PhysRevC.76.024915 PG 10 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600067 ER PT J AU Aznauryan, IG AF Aznauryan, I. G. TI Electroexcitation of the Roper resonance in relativistic quark models SO PHYSICAL REVIEW C LA English DT Article ID TRANSITION FORM-FACTORS; PION-PHOTOPRODUCTION; DECAYS; BARYONS; CHROMODYNAMICS; REGION AB The amplitudes of the transition gamma N-*-> P-11(1440) are calculated within light-front relativistic quark model assuming that the P-11(1440) is the first radial excitation of the 3q ground state. The results are presented along with the predictions obtained in other relativistic quark models. In comparison with the previous calculations, we have extended the range of Q(2) up to 4.5 GeV2 to cover the kinematic interval of the forthcoming experimental data. Using approach based on the hypothesis of partially conserved axial-vector current, we checked the relative sign between quark model predictions for the N and P-11(1440) contributions to the pi electroproduction found in previous investigations. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Aznauryan, IG (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. NR 33 TC 43 Z9 43 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 025212 DI 10.1103/PhysRevC.76.025212 PG 6 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600079 ER PT J AU Bonneau, L Quentin, P Moller, P AF Bonneau, L. Quentin, P. Moeller, P. TI Global microscopic calculations of ground-state spins and parities for odd-mass nuclei SO PHYSICAL REVIEW C LA English DT Article ID SELF-CONSISTENT; FISSION-BARRIERS; HEAVY-NUCLEI; PARAMETRIZATION; ISOTOPES AB Systematic calculations of ground-state spins and parities of odd-mass nuclei have been performed within the Hartree-Fock-BCS (HFBCS) approach and the finite-range droplet model for nuclei for which experimental data are available. The unpaired nucleon has been treated perturbatively, and axial and left-right reflection symmetries have been assumed. As for the HFBCS approach, three different Skyrme forces have been used in the particle-hole channel, whereas the particle-particle matrix elements have been approximated by a seniority force. The calculations have been done for the 621 nuclei for which the Nubase 2003 data set gives assignments of spins and parities with strong arguments. The agreement of both spin and parity in the self-consistent model reaches about 80% for spherical nuclei, and about 40% for well-deformed nuclei regardless of the Skyrme force used. As for the macroscopic-microscopic approach, the agreement for spherical nuclei is about 90% and about 40% for well-deformed nuclei, with different sets of spherical and deformed nuclei found in each model. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Bordeaux 1, CNRS, IN2P3, Ctr Etud Nucl Bordeaux Gradignan, F-33175 Gradignan, France. RP Bonneau, L (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Moller, Peter/0000-0002-5848-3565 NR 20 TC 30 Z9 30 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 024320 DI 10.1103/PhysRevC.76.024320 PG 5 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600037 ER PT J AU Dugger, M Ritchie, BG Ball, JP Collins, P Pasyuk, E Arndt, RA Briscoe, WJ Strakovsky, II Workman, RL Adams, G Amarian, M Ambrozewicz, P Anciant, E Anghinolfi, M Asavapibhop, B Asryan, G Audit, G Avakian, H Bagdasaryan, H Baillie, N Baltzell, NA Barrow, S Battaglieri, M Beard, K Bedlinskiy, I Bektasoglu, M Bellis, M Benmouna, N Berman, BL Bianchi, N Biselli, AS Bonner, BE Bouchigny, S Boiarinov, S Bradford, R Branford, D Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Carnahan, B Chen, S Cole, PL Coleman, A Coltharp, P Cords, D Corvisiero, P Crabb, D Crannell, H Cummings, JP De Sanctis, E De Vita, R Degtyarenko, PV Denizli, H Dennis, L Deur, A Dharmawardane, KV Dhuga, KS Dickson, R Djalali, C Dodge, GE Donnelly, J Doughty, D Dragovitsch, P Dytman, S Dzyubak, OP Egiyan, H Egiyan, KS Elouadrhiri, L Empl, A Eugenio, P Fatemi, R Fedotov, G Feldman, G Feuerbach, RJ Ficenec, J Forest, TA Funsten, H Garcon, M Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gothe, RW Griffioen, KA Guidal, M Guillo, M Guler, N Guo, L Gyurjyan, V Hadjidakis, C Hakobyan, RS Hardie, J Heddle, D Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hu, J Huertas, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Ito, MM Jenkins, D Jo, HS Joo, K Juengst, HG Kalantarians, N Kellie, JD Khandaker, M Kim, KY Kim, K Kim, W Klein, A Klein, FJ Klimenko, AV Klusman, M Kossov, M Krahn, Z Kramer, LH Kubarovsky, V Kuhn, J Kuhn, SE Kuznetsov, V Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Lima, ACS Livingston, K Lukashin, K Manak, JJ Marchand, C Maximon, LC McAleer, S McKinnon, B McNabb, JWC Mecking, BA Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mokeev, V Moriya, K Morrow, SA Muccifora, V Mueller, J Mutchler, GS Nadel-Turonski, P Napolitano, J Nasseripour, R Niccolai, S Niculescu, G Niculescu, I Niczyporuk, BB Niroula, M Niyazov, RA Nozar, M O'Rielly, GV Osipenko, M Ostrovidov, AI Park, K Paterson, C Philips, SA Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Preedom, BM Price, JW Prok, Y Protopopescu, D Qin, LM Raue, BA Riccardi, G Ricco, G Ripani, M Ronchetti, F Rosner, G Rossi, P Rowntree, D Rubin, PD Sabatie, F Slamanca, J Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Shafi, A Sharabian, YG Shaw, J Simionatto, S Skabelin, AV Smith, ES Smith, LC Sober, DI Spraker, M Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Stoler, P Strauch, S Taiuti, M Taylor, S Tedeschi, DJ Thompson, R Tkabladze, A Tkachenko, S Todor, L Tur, C Ungaro, M Vineyard, MF Vlassov, AV Wang, K Weinstein, LB Weller, H Weygand, DP Williams, M Wolin, E Wood, MH Yegneswaran, A Yun, J Zana, L Zhang, J AF Dugger, M. Ritchie, B. G. Ball, J. P. Collins, P. Pasyuk, E. Arndt, R. A. Briscoe, W. J. Strakovsky, I. I. Workman, R. L. Adams, G. Amarian, M. Ambrozewicz, P. Anciant, E. Anghinolfi, M. Asavapibhop, B. Asryan, G. Audit, G. Avakian, H. Bagdasaryan, H. Baillie, N. Baltzell, N. A. Barrow, S. Battaglieri, M. Beard, K. Bedlinskiy, I. Bektasoglu, M. Bellis, M. Benmouna, N. Berman, B. L. Bianchi, N. Biselli, A. S. Bonner, B. E. Bouchigny, S. Boiarinov, S. Bradford, R. Branford, D. Brooks, W. K. Bueltmann, S. Burkert, V. D. Butuceanu, C. Calarco, J. R. Careccia, S. L. Carman, D. S. Carnahan, B. Chen, S. Cole, P. L. Coleman, A. Coltharp, P. Cords, D. Corvisiero, P. Crabb, D. Crannell, H. Cummings, J. P. De Sanctis, E. De Vita, R. Degtyarenko, P. V. Denizli, H. Dennis, L. Deur, A. Dharmawardane, K. V. Dhuga, K. S. Dickson, R. Djalali, C. Dodge, G. E. Donnelly, J. Doughty, D. Dragovitsch, P. Dytman, S. Dzyubak, O. P. Egiyan, H. Egiyan, K. S. Elouadrhiri, L. Empl, A. Eugenio, P. Fatemi, R. Fedotov, G. Feldman, G. Feuerbach, R. J. Ficenec, J. Forest, T. A. Funsten, H. Garcon, M. Gavalian, G. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Goetz, J. T. Gothe, R. W. Griffioen, K. A. Guidal, M. Guillo, M. Guler, N. Guo, L. Gyurjyan, V. Hadjidakis, C. Hakobyan, R. S. Hardie, J. Heddle, D. Hersman, F. W. Hicks, K. Hleiqawi, I. Holtrop, M. Hu, J. Huertas, M. Hyde-Wright, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Ito, M. M. Jenkins, D. Jo, H. S. Joo, K. Juengst, H. G. Kalantarians, N. Kellie, J. D. Khandaker, M. Kim, K. Y. Kim, K. Kim, W. Klein, A. Klein, F. J. Klimenko, A. V. Klusman, M. Kossov, M. Krahn, Z. Kramer, L. H. Kubarovsky, V. Kuhn, J. Kuhn, S. E. Kuznetsov, V. Lachniet, J. Laget, J. M. Langheinrich, J. Lawrence, D. Lee, T. Lima, A. C. S. Livingston, K. Lukashin, K. Manak, J. J. Marchand, C. Maximon, L. C. McAleer, S. McKinnon, B. McNabb, J. W. C. Mecking, B. A. Mestayer, M. D. Meyer, C. A. Mibe, T. Mikhailov, K. Minehart, R. Mirazita, M. Miskimen, R. Mokeev, V. Moriya, K. Morrow, S. A. Muccifora, V. Mueller, J. Mutchler, G. S. Nadel-Turonski, P. Napolitano, J. Nasseripour, R. Niccolai, S. Niculescu, G. Niculescu, I. Niczyporuk, B. B. Niroula, M. Niyazov, R. A. Nozar, M. O'Rielly, G. V. Osipenko, M. Ostrovidov, A. I. Park, K. Paterson, C. Philips, S. A. Pierce, J. Pivnyuk, N. Pocanic, D. Pogorelko, O. Pozdniakov, S. Preedom, B. M. Price, J. W. Prok, Y. Protopopescu, D. Qin, L. M. Raue, B. A. Riccardi, G. Ricco, G. Ripani, M. Ronchetti, F. Rosner, G. Rossi, P. Rowntree, D. Rubin, P. D. Sabatie, F. Slamanca, J. Salgado, C. Santoro, J. P. Sapunenko, V. Schumacher, R. A. Serov, V. S. Shafi, A. Sharabian, Y. G. Shaw, J. Simionatto, S. Skabelin, A. V. Smith, E. S. Smith, L. C. Sober, D. I. Spraker, M. Stavinsky, A. Stepanyan, S. S. Stepanyan, S. Stokes, B. E. Stoler, P. Strauch, S. Taiuti, M. Taylor, S. Tedeschi, D. J. Thompson, R. Tkabladze, A. Tkachenko, S. Todor, L. Tur, C. Ungaro, M. Vineyard, M. F. Vlassov, A. V. Wang, K. Weinstein, L. B. Weller, H. Weygand, D. P. Williams, M. Wolin, E. Wood, M. H. Yegneswaran, A. Yun, J. Zana, L. Zhang, J. CA CLAS Collaboration TI pi(0) photoproduction on the proton for photon energies from 0.675 to 2.875 GeV SO PHYSICAL REVIEW C LA English DT Article ID CLAS; MODEL AB Differential cross sections for the reaction gamma p -> p pi(0) have been measured with the CEBAF Large Acceptance Spectrometer (CLAS) and a tagged photon beam with energies from 0.675 to 2.875 GeV. The results reported here possess greater accuracy in the absolute normalization than previous measurements. They disagree with recent CB-ELSA measurements for the process at forward scattering angles. Agreement with the SAID and MAID fits is found below 1 GeV. The present set of cross sections has been incorporated into the SAID database, and exploratory fits have been extended to 3 GeV. Resonance couplings have been extracted and compared to previous determinations. C1 Arizona State Univ, Tempe, AZ 85287 USA. George Washington Univ, Washington, DC 20052 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Calif State Univ Dominguez Hills, Carson, CA 90747 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Catholic Univ Amer, Washington, DC 20064 USA. CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. Christopher Newport Univ, Newport News, VA 23606 USA. Univ Connecticut, Storrs, CT 06269 USA. Duke Univ, Durham, NC 27708 USA. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Florida Int Univ, Miami, FL 33199 USA. Florida State Univ, Tallahassee, FL 32306 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Univ Giessen, Inst Phys, D-35392 Giessen, Germany. Idaho State Univ, Pocatello, ID 83209 USA. Ist Nazl Fis Nucl, Sect Genova, I-00044 Frascati, Italy. Inst Phys Nucl ORSAY, Orsay, France. Inst Theoret & Expt Phys, RU-117259 Moscow, Russia. James Madison Univ, Harrisonburg, VA 22807 USA. Kyungpook Natl Univ, Taegu 702701, South Korea. MIT, Cambridge, MA 02139 USA. Univ Massachusetts, Amherst, MA 01003 USA. Moscow MV Lomonosov State Univ, Gen Nucl Phys Inst, RU-119899 Moscow, Russia. Univ New Hampshire, Durham, NH 03824 USA. Ohio Univ, Athens, OH 45701 USA. Norfolk State Univ, Norfolk, VA 23504 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Rensselaer Polytech Inst, Troy, NY 12180 USA. Rice Univ, Houston, TX 77005 USA. Univ Richmond, Richmond, VA 23173 USA. Univ S Carolina, Columbia, SC 29208 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Union Coll, Schenectady, NY 12308 USA. Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. Univ Virginia, Charlottesville, VA 22901 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Dugger, M (reprint author), Arizona State Univ, Tempe, AZ 85287 USA. RI Brooks, William/C-8636-2013; Schumacher, Reinhard/K-6455-2013; Meyer, Curtis/L-3488-2014; Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; Ireland, David/E-8618-2010; Bektasoglu, Mehmet/A-2074-2012; Protopopescu, Dan/D-5645-2012; riccardi, gabriele/A-9269-2012; Zana, Lorenzo/H-3032-2012; Ishkhanov, Boris/E-1431-2012 OI Sapunenko, Vladimir/0000-0003-1877-9043; Hyde, Charles/0000-0001-7282-8120; Bellis, Matthew/0000-0002-6353-6043; Brooks, William/0000-0001-6161-3570; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973; Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; Ireland, David/0000-0001-7713-7011; NR 33 TC 62 Z9 63 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 025211 DI 10.1103/PhysRevC.76.025211 PG 16 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600078 ER PT J AU Esbensen, H Hagino, K Mueller, P Sagawa, H AF Esbensen, H. Hagino, K. Mueller, P. Sagawa, H. TI Charge radius and dipole response of Li-11 SO PHYSICAL REVIEW C LA English DT Article ID NUCLEI; STATES AB We investigate the consistency of the measured charge radius and dipole response of Li-11 within a three-body model. We show how these observables are related to the mean-square distance between the Li-9 core and the center of mass of the two valence neutrons. In this representation we find by considering the effect of smaller corrections that the discrepancy between the results of the two measurements is of the order of 1.5 sigma. We also investigate the sensitivity to the three-body structure of Li-11 and find that the charge radius measurement favors a model with a 50% s-wave component in the ground state of the two-neutron halo, whereas the dipole response is consistent with a smaller s-wave component of about 25% value. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. Univ Aizu, Ctr Math Sci, Fukushima 9658560, Japan. RP Esbensen, H (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Mueller, Peter/E-4408-2011 OI Mueller, Peter/0000-0002-8544-8191 NR 27 TC 35 Z9 35 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 024302 DI 10.1103/PhysRevC.76.024302 PG 6 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600019 ER PT J AU Fukushima, K AF Fukushima, Kenji TI Initial fields and instabilities in the classical model of relativistic heavy-ion collisions SO PHYSICAL REVIEW C LA English DT Article ID GLUON DISTRIBUTION-FUNCTIONS; NUCLEUS-NUCLEUS COLLISIONS; TRANSVERSE-MOMENTUM; ENERGY DENSITY; PLASMA; QUARK; THERMALIZATION; GLASMA AB Color Glass Condensate (CGC) provides a classical description of dense gluon matter at high energies. Using the McLerran-Venugopalan (MV) model we calculate the initial energy density epsilon(tau) in the early stage of the relativistic nucleus-nucleus collision. Our analytical formula reproduces the quantitative results from lattice discretized simulations and leads to an estimate epsilon(tau=0.1 fm)=40 similar to 50 GeV center dot fm(-3) in the (central) Au-Au collision at BNL Relativistic Heavy Ion Collider. We then formulate instabilities with respect to soft fluctuations that violate boost invariance inherent in hard CGC backgrounds. We find unstable modes arising, which are attributed to ensemble average over the initial CGC fields. C1 RIKEN, Brookhaven Natl Lab, BNL Res Ctr, Upton, NY 11973 USA. RP Fukushima, K (reprint author), RIKEN, Brookhaven Natl Lab, BNL Res Ctr, Upton, NY 11973 USA. OI Fukushima, Kenji/0000-0003-0899-740X NR 36 TC 30 Z9 30 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 021902 DI 10.1103/PhysRevC.76.021902 PG 5 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600013 ER PT J AU Guo, L Weygand, DP Battaglieri, M De Vita, R Kubarovsky, V Stoler, P Amaryan, MJ Ambrozewicz, P Anghinolfi, M Asryan, G Avakian, H Bagdasaryan, H Baillie, N Ball, JP Baltzell, NA Batourine, V Battaglieri, M Bedlinskiy, I Bellis, M Benmouna, N Berman, BL Biselli, AS Blaszczyk, L Bouchigny, S Boiarinov, S Bradford, R Branford, D Briscoe, WJ Brooks, WK Bultmann, S Burkert, VD Butuceanu, C Calarco, JR Careccia, SL Carman, DS Chen, S Cole, PL Collins, P Coltharp, P Crabb, D Crannell, H Crede, V Cummings, JP Dashyan, N De Masi, R De Vita, R De Sanctis, E Degtyarenko, PV Deur, A Dharmawardane, KV Dickson, R Djalali, C Dodge, GE Donnelly, J Doughty, D Dugger, M Dzyubak, OP Egiyan, H Egiyan, KS El Fassi, L Elouadrhiri, L Eugenio, P Fedotov, G Feldman, G Funsten, H Garcon, M Gavalian, G Gilfoyle, GP Giovanetti, KL Girod, FX Goetz, JT Gonenc, A Gordon, CIO Gothe, RW Griffioen, KA Guidal, M Guler, N Gyurjyan, V Hadjidakis, C Hafidi, K Hakobyan, H Hakobyan, RS Hanretty, C Hardie, J Hersman, FW Hicks, K Hleiqawi, I Holtrop, M Hyde-Wright, CE Ilieva, Y Ireland, DG Ishkhanov, BS Isupov, EL Ito, MM Jenkins, D Johnstone, R Jo, HS Joo, K Juengst, HG Kalantarians, N Kellie, JD Khandaker, M Kim, W Klein, A Klein, FJ Klimenko, AV Kossov, M Krahn, Z Kramer, LH Kuhn, J Kuhn, SE Kuleshov, SV Lachniet, J Laget, JM Langheinrich, J Lawrence, D Lee, T Li, J Livingston, K Lu, HY MacCormick, M Markov, N Mattione, P McKinnon, B Mecking, BA Melone, JJ Mestayer, MD Meyer, CA Mibe, T Mikhailov, K Minehart, R Mirazita, M Miskimen, R Mokeev, V Moriya, K Morrow, SA Moteabbed, M Munevar, E Mutchler, GS Nadel-Turonski, P Nasseripour, R Niccolai, S Niculescu, G Niculescu, I Niczyporuk, BB Niroula, MR Niyazov, RA Nozar, M Osipenko, M Ostrovidov, AI Park, K Pasyuk, E Paterson, C Pereira, SA Pierce, J Pivnyuk, N Pocanic, D Pogorelko, O Pozdniakov, S Price, JW Prok, Y Protopopescu, D Raue, BA Riccardi, G Ricco, G Ripani, M Ritchie, BG Ronchetti, F Rosner, G Rossi, P Sabatie, F Salamanca, J Salgado, C Santoro, JP Sapunenko, V Schumacher, RA Serov, VS Sharabian, YG Sharov, D Shvedunov, NV Smith, ES Smith, LC Sober, DI Sokhan, D Stavinsky, A Stepanyan, SS Stepanyan, S Stokes, BE Strakovsky, II Strauch, S Taiuti, M Tedeschi, DJ Thoma, U Tkabladze, A Tkachenko, S Todor, L Tur, C Ungaro, M Vineyard, MF Vlassov, AV Watts, DP Weinstein, LB Williams, M Wolin, E Wood, MH Yegneswaran, A Zana, L Zhang, J Zhao, B Zhao, ZW AF Guo, L. Weygand, D. P. Battaglieri, M. De Vita, R. Kubarovsky, V. Stoler, P. Amaryan, M. J. Ambrozewicz, P. Anghinolfi, M. Asryan, G. Avakian, H. Bagdasaryan, H. Baillie, N. Ball, J. P. Baltzell, N. A. Batourine, V. Battaglieri, M. Bedlinskiy, I. Bellis, M. Benmouna, N. Berman, B. L. Biselli, A. S. Blaszczyk, L. Bouchigny, S. Boiarinov, S. Bradford, R. Branford, D. Briscoe, W. J. Brooks, W. K. Bueltmann, S. Burkert, V. D. Butuceanu, C. Calarco, J. R. Careccia, S. L. Carman, D. S. Chen, S. Cole, P. L. Collins, P. Coltharp, P. Crabb, D. Crannell, H. Crede, V. Cummings, J. P. Dashyan, N. De Masi, R. De Vita, R. De Sanctis, E. Degtyarenko, P. V. Deur, A. Dharmawardane, K. V. Dickson, R. Djalali, C. Dodge, G. E. Donnelly, J. Doughty, D. Dugger, M. Dzyubak, O. P. Egiyan, H. Egiyan, K. S. El Fassi, L. Elouadrhiri, L. Eugenio, P. Fedotov, G. Feldman, G. Funsten, H. Garcon, M. Gavalian, G. Gilfoyle, G. P. Giovanetti, K. L. Girod, F. X. Goetz, J. T. Gonenc, A. Gordon, C. I. O. Gothe, R. W. Griffioen, K. A. Guidal, M. Guler, N. Gyurjyan, V. Hadjidakis, C. Hafidi, K. Hakobyan, H. Hakobyan, R. S. Hanretty, C. Hardie, J. Hersman, F. W. Hicks, K. Hleiqawi, I. Holtrop, M. Hyde-Wright, C. E. Ilieva, Y. Ireland, D. G. Ishkhanov, B. S. Isupov, E. L. Ito, M. M. Jenkins, D. Johnstone, R. Jo, H. S. Joo, K. Juengst, H. G. Kalantarians, N. Kellie, J. D. Khandaker, M. Kim, W. Klein, A. Klein, F. J. Klimenko, A. V. Kossov, M. Krahn, Z. Kramer, L. H. Kuhn, J. Kuhn, S. E. Kuleshov, S. V. Lachniet, J. Laget, J. M. Langheinrich, J. Lawrence, D. Lee, T. Li, Ji Livingston, K. Lu, H. Y. MacCormick, M. Markov, N. Mattione, P. McKinnon, B. Mecking, B. A. Melone, J. J. Mestayer, M. D. Meyer, C. A. Mibe, T. Mikhailov, K. Minehart, R. Mirazita, M. Miskimen, R. Mokeev, V. Moriya, K. Morrow, S. A. Moteabbed, M. Munevar, E. Mutchler, G. S. Nadel-Turonski, P. Nasseripour, R. Niccolai, S. Niculescu, G. Niculescu, I. Niczyporuk, B. B. Niroula, M. R. Niyazov, R. A. Nozar, M. Osipenko, M. Ostrovidov, A. I. Park, K. Pasyuk, E. Paterson, C. Pereira, S. Anefalos Pierce, J. Pivnyuk, N. Pocanic, D. Pogorelko, O. Pozdniakov, S. Price, J. W. Prok, Y. Protopopescu, D. Raue, B. A. Riccardi, G. Ricco, G. Ripani, M. Ritchie, B. G. Ronchetti, F. Rosner, G. Rossi, P. Sabatie, F. Salamanca, J. Salgado, C. Santoro, J. P. Sapunenko, V. Schumacher, R. A. Serov, V. S. Sharabian, Y. G. Sharov, D. Shvedunov, N. V. Smith, E. S. Smith, L. C. Sober, D. I. Sokhan, D. Stavinsky, A. Stepanyan, S. S. Stepanyan, S. Stokes, B. E. Strakovsky, I. I. Strauch, S. Taiuti, M. Tedeschi, D. J. Thoma, U. Tkabladze, A. Tkachenko, S. Todor, L. Tur, C. Ungaro, M. Vineyard, M. F. Vlassov, A. V. Watts, D. P. Weinstein, L. B. Williams, M. Wolin, E. Wood, M. H. Yegneswaran, A. Zana, L. Zhang, J. Zhao, B. Zhao, Z. W. TI Cascade production in the reactions gamma p -> K+K+(X) and gamma p -> K+K+pi(-)(X) SO PHYSICAL REVIEW C LA English DT Article ID INCLUSIVE PHOTOPRODUCTION; CLAS; ENERGY; SYSTEM; MASS; RESONANCE; BARYONS; RANGE; JLAB AB Photoproduction of the cascade resonances has been investigated in the reactions gamma p -> K+K+(X) and gamma p -> K+K+pi(-)(X). The mass splitting of the ground state (Xi(-),Xi(0)) doublet is measured to be 5.4 +/- 1.8 MeV/c(2), consistent with existing measurements. The differential (total) cross sections for the Xi(-) have been determined for photon beam energies from 2.75 to 3.85 (4.75) GeV and are consistent with a production mechanism of Y-*-> K+Xi(-) through a t-channel process. The reaction gamma p -> K+K+pi(-)[Xi(0)] has also been investigated to search of excited cascade resonances. No significant signal of excited cascade states other than the Xi(-)(1530) is observed. The cross-section results of the Xi(-)(1530) have also been obtained for photon beam energies from 3.35 to 4.75 GeV. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. Rensselaer Polytech Inst, Troy, NY 12180 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Arizona State Univ, Tempe, AZ 85287 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Calif State Univ Dominguez Hills, Carson, CA 90747 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Catholic Univ Amer, Washington, DC 20064 USA. CEA Saclay, Serv Phys Nucl, F-91191 Gif Sur Yvette, France. Christopher Newport Univ, Newport News, VA 23606 USA. Univ Connecticut, Storrs, CT 06269 USA. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Fairfield Univ, Fairfield, CT 06284 USA. Florida Int Univ, Miami, FL 33199 USA. Florida State Univ, Tallahassee, FL 32306 USA. George Washington Univ, Washington, DC 20052 USA. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Idaho State Univ, Pocatello, ID 83209 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Inst Phys Nucl ORSAY, Orsay, France. Inst Theoret & Expt Phys, RU-117259 Moscow, Russia. James Madison Univ, Harrisonburg, VA 22807 USA. Kyungpook Natl Univ, Taegu 702701, South Korea. Univ Massachusetts, Amherst, MA 01003 USA. Moscow MV Lomonosov State Univ, Skobeltsyn Nucl Phys Inst, RU-119899 Moscow, Russia. Univ New Hampshire, Durham, NH 03824 USA. Norfolk State Univ, Norfolk, VA 23504 USA. Ohio Univ, Athens, OH 45701 USA. Old Dominion Univ, Norfolk, VA 23529 USA. Rice Univ, Houston, TX 77005 USA. Univ Richmond, Richmond, VA 23173 USA. Univ S Carolina, Columbia, SC 29208 USA. TRIUMF, Vancouver, BC V6T 2A3, Canada. Union Coll, Schenectady, NY 12308 USA. Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. Univ Virginia, Charlottesville, VA 22901 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. RP Guo, L (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. RI Sabatie, Franck/K-9066-2015; Osipenko, Mikhail/N-8292-2015; Zhang, Jixie/A-1461-2016; riccardi, gabriele/A-9269-2012; Ireland, David/E-8618-2010; Lu, Haiyun/B-4083-2012; Protopopescu, Dan/D-5645-2012; Zana, Lorenzo/H-3032-2012; Isupov, Evgeny/J-2976-2012; Ishkhanov, Boris/E-1431-2012; Zhao, Bo/J-6819-2012; Brooks, William/C-8636-2013; Kuleshov, Sergey/D-9940-2013; Schumacher, Reinhard/K-6455-2013; Meyer, Curtis/L-3488-2014 OI Sabatie, Franck/0000-0001-7031-3975; Osipenko, Mikhail/0000-0001-9618-3013; Sapunenko, Vladimir/0000-0003-1877-9043; Bellis, Matthew/0000-0002-6353-6043; Ireland, David/0000-0001-7713-7011; Zhao, Bo/0000-0003-3171-5335; Brooks, William/0000-0001-6161-3570; Kuleshov, Sergey/0000-0002-3065-326X; Schumacher, Reinhard/0000-0002-3860-1827; Meyer, Curtis/0000-0001-7599-3973 NR 30 TC 29 Z9 29 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 EI 1089-490X J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 025208 DI 10.1103/PhysRevC.76.025208 PG 11 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600075 ER PT J AU Koehler, PE Ullmann, JL Bredeweg, TA O'Donnell, JM Reifarth, R Rundberg, RS Vieira, DJ Wouters, JM AF Koehler, P. E. Ullmann, J. L. Bredeweg, T. A. O'Donnell, J. M. Reifarth, R. Rundberg, R. S. Vieira, D. J. Wouters, J. M. TI Spin measurements for Sm-147+n resonances: Further evidence for nonstatistical effects SO PHYSICAL REVIEW C LA English DT Article ID COMPOUND NUCLEAR-STATES; NONCONSERVING NEUTRON-SCATTERING; OPTICAL-MODEL; PARITY NONCONSERVATION; EPITHERMAL ENERGIES; SIGN CORRELATIONS; CROSS-SECTIONS; CAPTURE; GAMMA; VIOLATION AB We have determined the spins J of resonances in the Sm-147(n,gamma) reaction by measuring multiplicities of gamma-ray cascades following neutron capture. Using this technique, we were able to determine J values for all but 14 of the 141 known resonances below E-n=1 keV, including 41 firm J assignments for resonances whose spins previously were either unknown or tentative. These new spin assignments, together with previously determined resonance parameters, allowed us to extract level spacings (D-0,D-3=11.76 +/- 0.93 and D-0,D-4=11.21 +/- 0.85 eV) and neutron strength functions (10(4)S(0,3)=4.70 +/- 0.91 and 10(4)S(0,4)=4.93 +/- 0.92) for J=3 and 4 resonances, respectively. Furthermore, cumulative numbers of resonances and cumulative reduced neutron widths as functions of resonance energy indicate that very few resonances of either spin have been missed below E-n=700 eV. This conclusion is strengthened by the facts that, over this energy range, Wigner distributions calculated using these D-0 values agree with the measured nearest-neighbor level spacings to within the experimental uncertainties, and that the Delta(3) values calculated from the data also agree with the expected values. Because a nonstatistical effect recently was reported near E-n=350 eV from an analysis of Sm-147(n,alpha) data, we divided the data into two regions; 0 < E-n < 350 eV and 350 < E-n < 700 eV. Using neutron widths from a previous measurement (corrected for new unresolved doublets identified in this work) and published techniques for correcting for missed resonances and for testing whether data are consistent with a Porter-Thomas distribution, we found that the Gamma(0)(n) distribution for resonances below 350 eV is consistent with the expected Porter-Thomas distribution. However, we found that Gamma(0)(n) data in the 350 < E-n < 700 eV region are inconsistent with a Porter-Thomas distribution, but in good agreement with a chi(2) distribution having nu >= 2 We discuss possible explanations for these observed nonstatistical effects and their possible relation to similar effects previously observed in other nuclides. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Koehler, PE (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM koehlerpe@ornl.gov OI Koehler, Paul/0000-0002-6717-0771 NR 58 TC 26 Z9 26 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 025804 DI 10.1103/PhysRevC.76.025804 PG 15 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600088 ER PT J AU Lee, DW Perajarvi, K Powell, J O'Neil, JP Moltz, DM Goldberg, VZ Cerny, J AF Lee, D. W. Peraejaervi, K. Powell, J. O'Neil, J. P. Moltz, D. M. Goldberg, V. Z. Cerny, Joseph TI Low-lying resonant states in F-16 using a O-15 radioactive ion beam SO PHYSICAL REVIEW C LA English DT Article ID O-16(P,N)F-16 REACTION; LIGHT-NUCLEI; ENERGIES; N-15; TRANSITION; SCATTERING AB A 120 MeV O-15 radioactive ion beam with an intensity on target of 4.5x10(4) pps has been developed at the 88-Inch Cyclotron at the Lawrence Berkeley National Laboratory. This beam has been used to study the level structure of F-16 at low energies via the p(O-15, p) reaction using the thick target inverse kinematics method on a polyethylene target. The experimental excitation function was analyzed using R-matrix calculations. Significantly improved values for the level widths of the four low-lying states in F-16 are reported. Good agreement with the theoretical spectroscopic factors is also obtained. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. RP Lee, DW (reprint author), Radiat & Nucl Safety Author, Helsinki, Finland. EM dwlee@lb1.gov RI Lee, Dongwon/F-8675-2012 OI Lee, Dongwon/0000-0003-3133-5199 NR 40 TC 8 Z9 8 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 024314 DI 10.1103/PhysRevC.76.024314 PG 8 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600031 ER PT J AU Liu, CP Engel, J AF Liu, C.-P. Engel, J. TI Schiff screening of relativistic nucleon electric-dipole moments by electrons SO PHYSICAL REVIEW C LA English DT Article AB We show, at leading-order in the multipole expansion of the electron-nucleus interaction, that nucleon electric-dipole moments are completely shielded by electrons so that they contribute nothing to atomic electric-dipole moments, even when relativity in the nucleus is taken into account. It is well known that relativistic electron motion, by contrast, leads to dipole moments that are not screened; we discuss the reasons for the difference. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. RP Liu, CP (reprint author), Los Alamos Natl Lab, Div Theoret, T-16, Los Alamos, NM 87545 USA. EM cpliu@lanl.gov; engelj@physics.unc.edu NR 8 TC 5 Z9 5 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 028501 DI 10.1103/PhysRevC.76.028501 PG 2 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600098 ER PT J AU Rzaca-Urban, T Urban, W Durell, JL Smith, AG Ahmad, I AF Rzaca-Urban, T. Urban, W. Durell, J. L. Smith, A. G. Ahmad, I. TI New excited states in Ge-82: Possible weakening of the N=50 closed shell SO PHYSICAL REVIEW C LA English DT Article ID FISSION FRAGMENTS; SPIN EXCITATIONS; NEUTRON; ISOTONES; NUCLEI; ENERGY; NI-78 AB Excited states in Ge-82, populated in the spontaneous fission of Cm-248, have been studied by means of prompt gamma spectroscopy, using the EUROGAM2 multidetector array. The known level at 2287 keV is assigned spin and parity 4(+). Two new excited levels in Ge-82, with spins and parities 5,6(+), are proposed at 2930 and 3228 keV. At least one of the new levels is expected to be be due to neutron excitations across the N=50 shell gap. Its low energy, as compared to heavier N=50 isotones, supports the suggestion of other works that the N=50 shell closure is weakening when approaching the expected double shell closure at Ni-78. C1 Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. Univ Manchester, Dept Phys & Astron, Schuster Lab, Manchester M13 9PL, Lancs, England. Argonne Natl Lab, Argonne, IL 60439 USA. RP Rzaca-Urban, T (reprint author), Univ Warsaw, Fac Phys, Hoza 69, PL-00681 Warsaw, Poland. NR 21 TC 17 Z9 17 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 027302 DI 10.1103/PhysRevC.76.027302 PG 4 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600091 ER PT J AU Wang, G Keane, D Tang, A Voloshin, SA AF Wang, Gang Keane, Declan Tang, Aihong Voloshin, Sergei A. TI Method for determining event-by-event elliptic flow fluctuations based on the first-order event plane in heavy-ion collisions SO PHYSICAL REVIEW C LA English DT Article ID RELATIVISTIC NUCLEAR COLLISIONS AB A new method is presented for determining event-by-event fluctuations of elliptic flow, v(2), using first-order event planes. By studying the event-by-event distributions of v(2) observables and first-order event-plane observables, average flow < v(2)> and event-by-event flow fluctuations can be separately determined, making appropriate allowance for the effects of finite multiplicity and nonflow. The method has been tested with Monte Carlo simulations. The connection between flow fluctuations and fluctuations of the initial-state participant eccentricity is discussed. C1 Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Kent State Univ, Kent, OH 44242 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Wayne State Univ, Detroit, MI 48201 USA. RP Wang, G (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. RI Voloshin, Sergei/I-4122-2013 NR 20 TC 3 Z9 3 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0556-2813 J9 PHYS REV C JI Phys. Rev. C PD AUG PY 2007 VL 76 IS 2 AR 024907 DI 10.1103/PhysRevC.76.024907 PG 4 WC Physics, Nuclear SC Physics GA 206AF UT WOS:000249155600059 ER PT J AU Achterberg, A Ackermann, M Adams, J Ahrens, J Andeen, K Auffenberg, J Bai, X Baret, B Barwick, SW Bay, R Beattie, K Becka, T Becker, JK Becker, KH Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Blaufuss, E Boersma, DJ Bohm, C Bolmont, J Boser, S Botner, O Bouchta, A Braun, J Burgess, T Castermans, T Chirkin, D Christy, B Clem, J Cowen, DF D'Agostino, MV Davour, A Day, CT De Clercq, C Demirors, L Descamps, F Desiati, P DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Edwards, WR Ehrlich, R Eisch, J Ellsworth, RW Evenson, PA Fadiran, O Fazely, AR Filimonov, K Finley, C Foerster, MM Fox, BD Franckowiak, A Franke, R Gaisser, TK Gallagher, J Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Goodman, JA Gozzini, R Griesel, T Gross, A Grullon, S Gunasingha, RM Gurtner, M Ha, C Hallgren, A Halzen, F Han, K Hanson, K Hardtke, D Hardtke, R Hart, JE Hasegawa, Y Hauschildt, T Hays, D Heise, J Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hoffman, KD Hommez, B Hoshina, K Hubert, D Hughey, B Hulss, JP Hulth, PO Hultqvist, K Hundertmark, S Inaba, M Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Jones, A Joseph, JM Kampert, KH Kappes, A Karg, T Karle, A Kawai, H Kelley, JL Kislat, F Kitamura, N Klein, SR Klepser, S Kohnen, G Kolanoski, H Kopke, L Kowalski, M Kowarik, T Krasberg, M Kuehn, K Labare, M Landsman, H Lauer, R Leich, H Leier, D Liubarsky, I Lundberg, J Lunemann, J Madsen, J Maruyama, R Mase, K Matis, HS McCauley, T McParland, CP Meli, A Messarius, T Meszaros, P Miyamoto, H Mokhtarani, A Montaruli, T Morey, A Morse, R Movit, SM Munich, K Nahnhauer, R Nam, JW Niessen, P Nygren, DR Ogelman, H Olivas, A Patton, S Pena-Garay, C de los Heros, CPL Piegsa, A Pieloth, D Pohl, AC Porrata, R Pretz, J Price, PB Przybylski, GT Rawlins, K Razzaque, S Resconi, E Rhode, W Ribordy, M Rizzo, A Robbins, S Roth, P Rothmaier, F Rott, C Rutledge, D Ryckbosch, D Sander, HG Sarkar, S Satalecka, K Schlenstedt, S Schmidt, T Schneider, D Seckel, D Semburg, B Seo, SH Sestayo, Y Seunarine, S Silvestri, A Smith, AJ Solarz, M Song, C Sopher, JE Spiczak, GM Spiering, C Stamatikos, M Stanev, T Stezelberger, T Stokstad, RG Stoufer, MC Stoyanov, S Strahler, EA Straszheim, T Sulanke, KH Sullivan, GW Sumner, TJ Taboada, I Tarasova, O Tepe, A Thollander, L Tilav, S Tluczykont, M Toale, PA Tosi, D Turcan, D van Eijndhoven, N Vandenbroucke, J Van Overloop, A Viscomi, V Voigt, B Wagner, W Walck, C Waldmann, H Walter, M Wang, YR Wendt, C Wiebusch, H Wiedemann, C Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, XW Yodh, G Yoshida, S Zornoza, JD AF Achterberg, A. Ackermann, M. Adams, J. Ahrens, J. Andeen, K. Auffenberg, J. Bai, X. Baret, B. Barwick, S. W. Bay, R. Beattie, K. Becka, T. Becker, J. K. Becker, K.-H. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Blaufuss, E. Boersma, D. J. Bohm, C. Bolmont, J. Boeser, S. Botner, O. Bouchta, A. Braun, J. Burgess, T. Castermans, T. Chirkin, D. Christy, B. Clem, J. Cowen, D. F. D'Agostino, M. V. Davour, A. Day, C. T. De Clercq, C. Demirors, L. Descamps, F. Desiati, P. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Edwards, W. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Evenson, P. A. Fadiran, O. Fazely, A. R. Filimonov, K. Finley, C. Foerster, M. M. Fox, B. D. Franckowiak, A. Franke, R. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geenen, H. Gerhardt, L. Goldschmidt, A. Goodman, J. A. Gozzini, R. Griesel, T. Gross, A. Grullon, S. Gunasingha, R. M. Gurtner, M. Ha, C. Hallgren, A. Halzen, F. Han, K. Hanson, K. Hardtke, D. Hardtke, R. Hart, J. E. Hasegawa, Y. Hauschildt, T. Hays, D. Heise, J. Helbing, K. Hellwig, M. Herquet, P. Hill, G. C. Hodges, J. Hoffman, K. D. Hommez, B. Hoshina, K. Hubert, D. Hughey, B. Hulss, J.-P. Hulth, P. O. Hultqvist, K. Hundertmark, S. Inaba, M. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Jones, A. Joseph, J. M. Kampert, K.-H. Kappes, A. Karg, T. Karle, A. Kawai, H. Kelley, J. L. Kislat, F. Kitamura, N. Klein, S. R. Klepser, S. Kohnen, G. Kolanoski, H. Koepke, L. Kowalski, M. Kowarik, T. Krasberg, M. Kuehn, K. Labare, M. Landsman, H. Lauer, R. Leich, H. Leier, D. Liubarsky, I. Lundberg, J. Luenemann, J. Madsen, J. Maruyama, R. Mase, K. Matis, H. S. McCauley, T. McParland, C. P. Meli, A. Messarius, T. Meszaros, P. Miyamoto, H. Mokhtarani, A. Montaruli, T. Morey, A. Morse, R. Movit, S. M. Muenich, K. Nahnhauer, R. Nam, J. W. Niessen, P. Nygren, D. R. Oegelman, H. Olivas, A. Patton, S. Pena-Garay, C. de los Heros, C. Perez Piegsa, A. Pieloth, D. Pohl, A. C. Porrata, R. Pretz, J. Price, P. B. Przybylski, G. T. Rawlins, K. Razzaque, S. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Robbins, S. Roth, P. Rothmaier, F. Rott, C. Rutledge, D. Ryckbosch, D. Sander, H.-G. Sarkar, S. Satalecka, K. Schlenstedt, S. Schmidt, T. Schneider, D. Seckel, D. Semburg, B. Seo, S. H. Sestayo, Y. Seunarine, S. Silvestri, A. Smith, A. J. Solarz, M. Song, C. Sopher, J. E. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Stezelberger, T. Stokstad, R. G. Stoufer, M. C. Stoyanov, S. Strahler, E. A. Straszheim, T. Sulanke, K.-H. Sullivan, G. W. Sumner, T. J. Taboada, I. Tarasova, O. Tepe, A. Thollander, L. Tilav, S. Tluczykont, M. Toale, P. A. Tosi, D. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. Viscomi, V. Voigt, B. Wagner, W. Walck, C. Waldmann, H. Walter, M. Wang, Y.-R. Wendt, C. Wiebusch, H. Wiedemann, C. Wikstrom, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, X. W. Yodh, G. Yoshida, S. Zornoza, J. D. TI Multiyear search for a diffuse flux of muon neutrinos with AMANDA-II SO PHYSICAL REVIEW D LA English DT Article ID HIGH-ENERGY NEUTRINOS; ASTROPHYSICAL SOURCES; COSMIC-RAYS; LIMITS; SPECTROMETER; SELECTION; CASCADES; DETECTOR; SPECTRA; NUCLEI AB A search for TeV-PeV muon neutrinos from unresolved sources was performed on AMANDA-II data collected between 2000 and 2003 with an equivalent live time of 807 days. This diffuse analysis sought to find an extraterrestrial neutrino flux from sources with nonthermal components. The signal is expected to have a harder spectrum than the atmospheric muon and neutrino backgrounds. Since no excess of events was seen in the data over the expected background, an upper limit of E-2 Phi(90%C.L.)< 7.4x10(-8) GeV cm(-2) s(-1) sr(-1) is placed on the diffuse flux of muon neutrinos with a Phi proportional to E-2 spectrum in the energy range 16 TeV to 2.5 PeV. This is currently the most sensitive Phi proportional to E-2 diffuse astrophysical neutrino limit. We also set upper limits for astrophysical and prompt neutrino models, all of which have spectra different from Phi proportional to E-2. C1 Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. Univ Alaska, Dept Phys & Astron, Anchorage, AK 99508 USA. Clark Atlanta Univ, CTSPS, Atlanta, GA 30314 USA. So Univ, Dept Phys, Baton Rouge, LA 70813 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Libre Bruxelles, Fac Sci, B-1050 Brussels, Belgium. Vrije Univ Brussel VIB, Dienst ELEM, B-1050 Brussels, Belgium. Chiba Univ, Dept Phys, Chiba 2638522, Japan. Univ Canterbury, Dept Phys & Astron, Christchurch, New Zealand. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Mons, B-7000 Mons, Belgium. Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. Univ Oxford, Dept Phys, Oxford OX1 3NP, England. Inst Adv Study, Princeton, NJ 08540 USA. Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. Penn State Univ, Dept Phys & Astron, University Pk, PA 16802 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Univ Uppsala, Div High Energy Phys, S-75121 Uppsala, Sweden. Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. Univ Gesamthsch Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. DESY, D-15735 Zeuthen, Germany. Univ Valencia, CSIC, IFIC, Valencia 46071, Spain. Kalmar Univ, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden. RP Hodges, J (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM hodges@icecube.wisc.edu RI Song, Chihwa/A-3455-2008; Hundertmark, Stephan/A-6592-2010; Kowalski, Marek/G-5546-2012; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Wiebusch, Christopher/G-6490-2012; Auffenberg, Jan/D-3954-2014; Zornoza, Juan de Dios/L-1604-2014; Maruyama, Reina/A-1064-2013; Sarkar, Subir/G-5978-2011 OI Hubert, Daan/0000-0002-4365-865X; Perez de los Heros, Carlos/0000-0002-2084-5866; Wiebusch, Christopher/0000-0002-6418-3008; Auffenberg, Jan/0000-0002-1185-9094; Zornoza, Juan de Dios/0000-0002-1834-0690; Maruyama, Reina/0000-0003-2794-512X; Sarkar, Subir/0000-0002-3542-858X NR 51 TC 99 Z9 99 U1 1 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 4 AR 042008 DI 10.1103/PhysRevD.76.042008 PG 20 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AH UT WOS:000249155800016 ER PT J AU Agashe, K Davoudiasl, H Perez, G Soni, A AF Agashe, Kaustubh Davoudiasl, Hooman Perez, Gilad Soni, Amarjit TI Warped gravitons at the CERN LHC and beyond SO PHYSICAL REVIEW D LA English DT Article ID RANDALL-SUNDRUM MODEL; HIERARCHY; PHYSICS; DIMENSIONS; MILLIMETER; MIXINGS; MASSES; FIELDS; HIGGS AB We study the production and decay of Kaluza-Klein (KK) gravitons at the CERN Large Hadron Collider (LHC), in the framework of a warped extra dimension in which the standard model (SM) fields propagate. Such a scenario can provide solutions to both the Planck-weak hierarchy problem and the flavor puzzle of the SM. In this scenario, the production via q(q)over-bar annihilation and decays to the conventional photon and lepton channels are highly suppressed. However, we show that graviton production via gluon fusion followed by decay to longitudinal Z/W can be significant; vector boson fusion is found to be a subdominant production mode. In particular, the golden ZZ decay mode offers a distinctive 4-lepton signal that could lead to the observation at the LHC with 300 fb(-1) (SLHC with 3 ab(-1)) of a KK graviton with a mass up to similar to 2 (similar to 3) TeV for the ratio of the AdS(5) curvature to the Planck scale modestly above unity. We argue that (contrary to the lore) such a size of the curvature scale can still be within the regime of validity of the framework. Upgrades beyond the SLHC luminosity are required to discover gravitons heavier than similar to 4 TeV, as favored by the electroweak and flavor precision tests in the simplest such models. C1 Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Agashe, K (reprint author), Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. NR 45 TC 95 Z9 96 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 036006 DI 10.1103/PhysRevD.76.036006 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700058 ER PT J AU Atwood, D Bar-Shalom, S Soni, A AF Atwood, David Bar-Shalom, Shaouly Soni, Amarjit TI Signature of heavy Majorana neutrinos at a linear collider: Enhanced charged Higgs pair production SO PHYSICAL REVIEW D LA English DT Article ID DOUBLE-BETA-DECAY; LEPTON FLAVOR VIOLATION; ELECTRON-POSITRON; MASSES; ENERGIES; BOSONS; MODEL AB A charged Higgs pair can be produced at an ee collider through a t-channel exchange of a heavy neutrino (N) via e(+)e(-)-> H+H- and, if N is a Majorana particle, also via the lepton number violating (LNV) like-sign reaction e(+/-)e(+/-)->(HH +/-)-H-+/-. Assuming no a priori relation between the effective eNH(+) coupling (xi) and light neutrino masses, we show that this interaction vertex can give a striking enhancement to these charged Higgs pair production processes. In particular, the LNV H-H- signal can probe N at the International Linear Collider (ILC) in the mass range 100 GeV less than or similar to m(N)less than or similar to 10(4) TeV and with the effective mixing angle xi in the range 10(-4)less than or similar to xi(2)less than or similar to 10(-8)-well within its perturbative unitarity bound and the beta beta(0 nu) limit. The lepton number conserving e(+)e(-)-> H+H- mode can be sensitive to, e.g., an O(10) TeV heavy Majorana neutrino at a 500 GeV ILC, if xi(2)greater than or similar to 0.001. C1 Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel. Brookhaven Natl Lab, Theory Grp, Upton, NY 11973 USA. RP Atwood, D (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM atwood@iastate.edu; shaouly@physics.technion.ac.il; soni@bnl.gov NR 32 TC 22 Z9 22 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 033004 DI 10.1103/PhysRevD.76.033004 PG 6 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700012 ER PT J AU Aubert, B Bona, M Boutigny, D Karyotakis, Y Lees, JP Poireau, V Prudent, X Tisserand, V Zghiche, A Tico, JG Grauges, E Lopez, L Palano, A Eigen, G Ofte, I Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Button-Shafer, J Cahn, RN Groysman, Y Jacobsen, RG Kadyk, JA Kerth, LT Kolomensky, YG Kukartsev, G Pegna, DL Lynch, G Mir, LM Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Tackmann, K Wenzel, WA Sanchez, PDA Hawkes, CM Watson, AT Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Cottingham, WN Walker, D Asgeirsson, DJ Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Saleem, M Teodorescu, L Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Foulkes, SD Gary, JW Liu, F Long, O Shen, BC Zhang, L Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Kovalskyi, D Richman, JD Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Schalk, T Schumm, BA Seiden, A Williams, DC Wilson, MG Winstrom, LO Chen, E Cheng, CH Dvoretskii, A Fang, F Hitlin, DG Narsky, I Piatenko, T Porter, FC Mancinelli, G Meadows, BT Mishra, K Sokoloff, MD Blanc, F Bloom, PC Chen, S Ford, WT Hirschauer, JF Kreisel, A Nagel, M Nauenberg, U Olivas, A Smith, JG Ulmer, KA Wagner, SR Zhang, J Gabareen, AM Soffer, A Toki, WH Wilson, RJ Winklmeier, F Zeng, Q Altenburg, DD Feltresi, E Hauke, A Jasper, H Merkel, J Petzold, A Spaan, B Wacker, K Brandt, T Klose, V Lacker, HM Mader, WF Nogowski, R Schubert, J Schubert, KR Schwierz, R Sundermann, JE Volk, A Bernard, D Bonneaud, GR Latour, E Lombardo, V Thiebaux, C Verderi, M Clark, PJ Gradl, W Muheim, F Playfer, S Robertson, AI Xie, Y Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Franchini, P Luppi, E Negrini, M Petrella, A Piemontese, L Prencipe, E Santoro, V Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Buzzo, A Contri, R Lo Vetere, M Macri, MM Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Chaisanguanthum, KS Morii, M Wu, J Dubitzky, RS Marks, J Schenk, S Uwer, U Bard, DJ Dauncey, PD Flack, RL Nash, JA Nikolich, MB Vazquez, WP Behera, PK Chai, X Charles, MJ Mallik, U Meyer, NT Ziegler, V Cochran, J Crawley, HB Dong, L Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gritsan, AV Guo, ZJ Lae, CK Denig, AG Fritsch, M Schott, G Arnaud, N Bequilleux, J Davier, M Grosdidier, G Hocker, A Lepeltier, V Le Diberder, F Lutz, AM Pruvot, S Rodier, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wang, WF Wormser, G Lange, DJ Wright, DM Chavez, CA Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Schofield, KC Touramanis, C Bevan, AJ George, KA Di Lodovico, F Menges, W Sacco, R Cowan, G Flaecher, HU Hopkins, DA Jackson, PS McMahon, TR Salvatore, F Wren, AC Brown, DN Davis, CL Allison, J Barlow, NR Barlow, RJ Chia, YM Edgar, CL Lafferty, GD West, TJ Yi, JI Anderson, J Chen, C Jawahery, A Roberts, DA Simi, G Tuggle, JM Blaylock, G Dallapiccola, C Hertzbach, SS Li, X Moore, TB Salvati, E Saremi, S Cowan, R Fisher, PH Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Mclachlin, SE Patel, PM Robertson, SH Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Simard, M Taras, P Viaud, FB Nicholson, H De Nardo, G Fabozzi, F Lista, L Monorchio, D Sciacca, C Baak, MA Raven, G Snoek, HL Jessop, CP LoSecco, JM Benelli, G Corwin, LA Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Morris, JP Rahimi, AM Regensburger, JJ Ter-Antonyan, R Wong, QK Blount, NL Brau, J Frey, R Igonkina, O Kolb, JA Lu, M Rahmat, R Sinev, NB Strom, D Strube, J Torrence, E Gagliardi, N Gaz, A Margoni, M Morandin, M Pompili, A Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Ben-Haim, E Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O Hartfiel, BL Leruste, P Malcles, J Ocariz, J Perez, A Gladney, L Biasini, M Covarelli, R Manoni, E Angelini, C Batignani, G Bettarini, S Calderini, G Carpinelli, M Cenci, R Cervelli, A Forti, F Giorgi, MA Lusiani, A Marchiori, G Mazur, MA Morganti, M Neri, N Paoloni, E Rizzo, G Walsh, JJ Haire, M Biesiada, J Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Baracchini, E Bellini, F Cavoto, G D'Orazio, A del Re, D Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Jackson, PD Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Renga, F Voena, C Ebert, M Schroder, H Waldi, R Adye, T Castelli, G Franek, B Olaiya, EO Ricciardi, S Roethel, W Wilson, FF Aleksan, R Emery, S Escalier, M Gaidot, A Ganzhur, SF de Monchenault, GH Kozanecki, W Legendre, M Vasseur, G Yeche, C Zito, M Chen, XR Liu, H Park, W Purohit, MV Wilson, JR Allen, MT Aston, D Bartoldus, R Bechtle, P Berger, N Claus, R Coleman, JP Convery, MR Dingfelder, JC Dorfan, J Dubois-Felsmann, GP Dujmic, D Dunwoodie, W Field, RC Glanzman, T Gowdy, SJ Graham, MT Grenier, P Hast, C Hryn'ova, T Innes, WR Kelsey, MH Kim, H Kim, P Leith, DWGS Li, S Luitz, S Luth, V Lynch, HL MacFarlane, DB Marsiske, H Messner, R Muller, DR O'Grady, CP Perazzo, A Perl, M Pulliam, T Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J van Bakel, N Wagner, AP Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Wilden, L Ahmed, S Alam, MS Bula, R Ernst, JA Jain, V Pan, B Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM 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Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Bhuyan, B. Hamano, K. Kowalewski, R. Nugent, I. M. Roney, J. M. Sobie, R. J. Back, J. J. Harrison, P. F. Latham, T. E. Mohanty, G. B. Pappagallo, M. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Wu, S. L. Yu, Z. Neal, H. CA BABAR Collaboration TI Measurement of decay amplitudes of B -> J/psi K-*, psi(2S)K-*, and chi K-c1(*) with an angular analysis SO PHYSICAL REVIEW D LA English DT Article AB We perform the first three-dimensional measurement of the amplitudes of B ->psi(2S)K-* and B ->chi K-c1(*) decays and update our previous measurement for B -> J/psi K-*. We use a data sample collected with the BABAR detector at the PEP-II storage ring, corresponding to 232x10(6) B (B) over bar pairs. The longitudinal polarization of decays involving a J(PC)=1(++) X-c1 meson is found to be larger than that with a 1(--) J/psi or psi(2S) meson. No direct CP-violating charge asymmetry is observed. C1 CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Savoie, F-74941 Annecy Le Vieux, France. Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. Ist Nazl Fis Nucl, I-70126 Bari, Italy. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys, D-44780 Bochum, Germany. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Univ Bristol, Bristol BS8 1TL, Avon, England. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Riverside, Riverside, CA 92521 USA. 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Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Trieste, Dipartimento Fis, I-10125 Turin, Italy. Univ Politecn Valencia, CSIC, IFIC, E-46071 Valencia, Spain. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Frey, Raymond/E-2830-2016; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Morandin, Mauro/A-3308-2016; Lusiani, Alberto/A-3329-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Lista, Luca/C-5719-2008; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Bellini, Fabio/D-1055-2009; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012 OI Frey, Raymond/0000-0003-0341-2636; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Lusiani, Alberto/0000-0002-6876-3288; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Bellini, Fabio/0000-0002-2936-660X; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455 NR 18 TC 32 Z9 32 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. 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D PD AUG PY 2007 VL 76 IS 3 AR 031102 DI 10.1103/PhysRevD.76.031102 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700002 ER PT J AU Aubert, B Bona, M Boutigny, D Karyotakis, Y Lees, JP Poireau, V Prudent, X Tisserand, V Zghiche, A Tico, JG Grauges, E Lopez, L Palano, A Eigen, G Ofte, I Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Button-Shafer, J Cahn, RN Groysman, Y Jacobsen, RG Kadyk, JA Kerth, LT Kolomensky, YG Kukartsev, G Pegna, DL Lynch, G Mir, M Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Tackmann, K Wenzel, WA Sanchez, PDA Hawkes, CM Watson, AT Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Cottingham, WN Walker, D Asgeirsson, DJ Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Saleem, M Teodorescu, L Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S 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Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Bhuyan, B. Hamano, K. Kowalewski, R. Nugent, I. M. Roney, J. M. Sobie, R. J. Back, J. J. Harrison, P. F. Latham, T. E. Mohanty, G. B. Pappagallo, M. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Wu, S. L. Yu, Z. Neal, H. CA BABAR Collaboration TI Branching fraction and charge asymmetry measurements in B -> J/psi pi pi decays SO PHYSICAL REVIEW D LA English DT Article ID MESONS AB We study the decays B-0 -> J/psi pi(+)pi(-) and B+-> J/psi pi(+)pi(0), including intermediate resonances, using a sample of 382x10(6) B (B) over bar pairs recorded by the BABAR detector at the PEP-II e(+)e(-) B factory. We measure the branching fractions B(B-0 -> J/psi rho(0))=(2.7 +/- 0.3 +/- 0.2)x10(-5) and B(B+-> J/psi rho(+))=(5.0 +/- 0.7 +/- 0.3)x10(-5). We also set the following upper limits at the 90% confidence level: B(B-0 -> J/psi pi(+)pi(-) nonresonant)< 1.2x10(-5), B(B-0 -> J/psi f(2))< 4.6x10(-6), and B(B+-> J/psi pi(+)pi(0) nonresonant)< 7.3x10(-6). We measure the charge asymmetry in charged B decays to J/psi rho to be -0.11 +/- 0.12 +/- 0.08. C1 CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. Ist Nazl Fis Nucl, I-70126 Bari, Italy. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. 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Univ Heidelberg, Inst Phys, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76021 Karlsruhe, Germany. CNRS, IN2P3, Lab Accelerateur Lineaire, F-91898 Orsay, France. Univ Paris 11, Ctr Sci orasy, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. Univ London, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Ist Nazl Fis Nucl, I-80126 Naples, Italy. Univ Naples Federico 2, Dipartimento Sci Fisiche, I-80126 Naples, Italy. Natl Inst Nucl & High Energy Phys, NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 06, Univ Paris 07, CNRS,IN2P3, Phys Nucl & Hautes Energies Lab, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super, I-56127 Pisa, Italy. Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis, I-10125 Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Politecn Valencia, IFIC, CSIC, E-46071 Valencia, Spain. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Frey, Raymond/E-2830-2016; Oyanguren, Arantza/K-6454-2014; Luppi, Eleonora/A-4902-2015; Calabrese, Roberto/G-4405-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Lusiani, Alberto/A-3329-2016; Morandin, Mauro/A-3308-2016; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Della Ricca, Giuseppe/B-6826-2013; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; Roe, Natalie/A-8798-2012; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012 OI Frey, Raymond/0000-0003-0341-2636; Raven, Gerhard/0000-0002-2897-5323; Oyanguren, Arantza/0000-0002-8240-7300; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Della Ricca, Giuseppe/0000-0003-2831-6982; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455 NR 17 TC 7 Z9 7 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. 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Albert, J. Banerjee, Sw. Bhuyan, B. Hamano, K. Kowalewski, R. Nugent, I. M. Roney, J. M. Sobie, R. J. Harrison, P. F. Ilic, J. Latham, T. E. Mohanty, G. B. Pappagallo, M. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Wu, S. L. Neal, H. CA BABAR Collaboration TI Branching fraction and CP-violation charge asymmetry measurements for B-meson decays to eta K-+/-, eta pi(+/-), eta ' K, eta 'pi(+/-), omega K, and omega pi(+/-) SO PHYSICAL REVIEW D LA English DT Article ID QCD FACTORIZATION AB We present measurements of the branching fractions for B-0-meson decays to eta'K-0 and omega K-0, and of the branching fractions and CP-violation charge asymmetries for B+-meson decays to eta pi(+), eta K+, eta'pi(+), eta'K+, omega pi(+), and omega K+. The data, collected with the BABAR detector at the Stanford Linear Accelerator Center, represent 383x10(6) B (B) over bar pairs produced in e(+)e(-) annihilation. 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Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern Teilchenphys, D-01062 Dresden, Germany. Ecole Polytech, CNRS, IN2P3, Lab Leprince ringuet, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Dipartmento Fis, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany. Univ London Imperial Coll Sci Technol & Med, London SW7 2AZ, England. Univ Iowa, Iowa City, IA 52242 USA. Iowa State Univ, Ames, IA 50011 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76021 Karlsruhe, Germany. Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. CNRS, IN2P3, Lab Accelerateur Lineaire, F-91898 Orsay, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. Univ London, London E1 4NS, England. Univ London Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. Univ Louisville, Louisville, KY 40292 USA. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Maryland, College Pk, MD 20742 USA. Univ Massachusetts, Amherst, MA 01003 USA. MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Ist Nazl Fis Nucl, I-20133 Milan, Italy. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Natl Inst Nucl & High Energy Phys, NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Ist Nazl Fis Nucl, I-35131 Padua, Italy. Univ Paris 07, Univ Paris 06, IN2P3 CNRS, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Ist Nazl Fis Nucl, I-06100 Perugia, Italy. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Univ Pisa, Dipartimento Fis, Scuola Normal Super, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Ist Nazl Fis Nucl, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Torino, Dipartimento Fis, I-10125 Turin, Italy. Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. Univ Politecn Valencia, IFIC, CSIC, E-46071 Valencia, Spain. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Luppi, Eleonora/A-4902-2015; Frey, Raymond/E-2830-2016; Negrini, Matteo/C-8906-2014; Lo Vetere, Maurizio/J-5049-2012; Forti, Francesco/H-3035-2011; Martinez Vidal, F*/L-7563-2014; Morandin, Mauro/A-3308-2016; Monge, Maria Roberta/G-9127-2012; Della Ricca, Giuseppe/B-6826-2013; Bellini, Fabio/D-1055-2009; Calabrese, Roberto/G-4405-2015; Saeed, Mohammad Alam/J-7455-2012; Calcaterra, Alessandro/P-5260-2015; Mir, Lluisa-Maria/G-7212-2015; Oyanguren, Arantza/K-6454-2014; Lusiani, Alberto/A-3329-2016; Di Lodovico, Francesca/L-9109-2016; Kolomensky, Yury/I-3510-2015; Lusiani, Alberto/N-2976-2015; Patrignani, Claudia/C-5223-2009; Pappagallo, Marco/R-3305-2016; Lista, Luca/C-5719-2008; Neri, Nicola/G-3991-2012; de Sangro, Riccardo/J-2901-2012; Rotondo, Marcello/I-6043-2012; Cavallo, Nicola/F-8913-2012; Roe, Natalie/A-8798-2012; Peters, Klaus/C-2728-2008; de Groot, Nicolo/A-2675-2009 OI Raven, Gerhard/0000-0002-2897-5323; Luppi, Eleonora/0000-0002-1072-5633; Frey, Raymond/0000-0003-0341-2636; Negrini, Matteo/0000-0003-0101-6963; Egede, Ulrik/0000-0001-5493-0762; Lo Vetere, Maurizio/0000-0002-6520-4480; Forti, Francesco/0000-0001-6535-7965; Martinez Vidal, F*/0000-0001-6841-6035; Morandin, Mauro/0000-0003-4708-4240; Monge, Maria Roberta/0000-0003-1633-3195; Della Ricca, Giuseppe/0000-0003-2831-6982; Bellini, Fabio/0000-0002-2936-660X; Calabrese, Roberto/0000-0002-1354-5400; Saeed, Mohammad Alam/0000-0002-3529-9255; Calcaterra, Alessandro/0000-0003-2670-4826; Mir, Lluisa-Maria/0000-0002-4276-715X; Oyanguren, Arantza/0000-0002-8240-7300; Lusiani, Alberto/0000-0002-6876-3288; Di Lodovico, Francesca/0000-0003-3952-2175; Kolomensky, Yury/0000-0001-8496-9975; Lusiani, Alberto/0000-0002-6876-3288; Patrignani, Claudia/0000-0002-5882-1747; Pappagallo, Marco/0000-0001-7601-5602; Neri, Nicola/0000-0002-6106-3756; de Sangro, Riccardo/0000-0002-3808-5455; Rotondo, Marcello/0000-0001-5704-6163; Peters, Klaus/0000-0001-7133-0662; NR 33 TC 23 Z9 23 U1 1 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 031103 DI 10.1103/PhysRevD.76.031103 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700003 ER PT J AU Bousso, R Harnik, R Kribs, GD Perez, G AF Bousso, Raphael Harnik, Roni Kribs, Graham D. Perez, Gilad TI Predicting the cosmological constant from the causal entropic principle SO PHYSICAL REVIEW D LA English DT Article ID STAR-FORMATION HISTORY; LUMINOSITY FUNCTION; REDSHIFT SURVEY; GALAXIES; SUPERNOVAE; UNIVERSE; NEUTRALIZATION; CONSTRAINTS; EVOLUTION; FIELD AB We compute the expected value of the cosmological constant in our universe from the causal entropic principle. Since observers must obey the laws of thermodynamics and causality, the principle asserts that physical parameters are most likely to be found in the range of values for which the total entropy production within a causally connected region is maximized. Despite the absence of more explicit anthropic criteria, the resulting probability distribution turns out to be in excellent agreement with observation. In particular, we find that dust heated by stars dominates the entropy production, demonstrating the remarkable power of this thermodynamic selection criterion. The alternative approach-weighting by the number of "observers per baryon"-is less well-defined, requires problematic assumptions about the nature of observers, and yet prefers values larger than present experimental bounds. C1 Univ Calif Berkeley, Dept Phys, Ctr Theoret Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Univ Oregon, Dept Phys, Eugene, OR 97403 USA. Univ Oregon, Inst Theoret Sci, Eugene, OR 97403 USA. SUNY Stony Brook, CN Yang Inst Theoret Phys, Stony Brook, NY 11794 USA. RP Bousso, R (reprint author), Univ Calif Berkeley, Dept Phys, Ctr Theoret Phys, Berkeley, CA 94720 USA. NR 60 TC 64 Z9 64 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 4 AR 043513 DI 10.1103/PhysRevD.76.043513 PG 16 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AH UT WOS:000249155800035 ER PT J AU Carena, M Menon, A Wagner, CEM AF Carena, M. Menon, A. Wagner, C. E. M. TI Challenges for MSSM Higgs boson searches at hadron colliders SO PHYSICAL REVIEW D LA English DT Article ID LARGE TAN-BETA; SUPERSYMMETRIC STANDARD MODEL; RADIATIVE-CORRECTIONS; BENCHMARK SCENARIOS; CP VIOLATION; MASSES; PHENOMENOLOGY; MU(+)MU(-); COUPLINGS; DECAYS AB In this article we analyze the impact of B physics and Higgs physics at LEP on standard and nonstandard Higgs bosons searches at the Tevatron and the LHC, within the framework of minimal flavor violating supersymmetric models. The B-physics constraints we consider come from the experimental measurements of the rare B decays b -> s gamma and B-u ->tau nu and the experimental limit on the B-s ->mu(+)mu(-) branching ratio. We show that these constraints are severe for large values of the trilinear soft breaking parameter A(t), rendering the nonstandard Higgs searches at hadron colliders less promising. On the contrary these bounds are relaxed for small values of A(t) and large values of the Higgsino mass parameter mu, enhancing the prospects for the direct detection of nonstandard Higgs bosons at both colliders. We also consider the available ATLAS and CMS projected sensitivities in the standard model Higgs search channels, and we discuss the LHC's ability in probing the whole MSSM parameter space. In addition we also consider the expected Tevatron collider sensitivities in the standard model Higgs h -> b (b) over bar channel to show that it may be able to find 3 sigma evidence in the B-physics allowed regions for small or moderate values of the stop mixing parameter. C1 Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Chicago, KICP, Chicago, IL 60637 USA. Univ Chicago, Dept Phys, Chicago, IL 60637 USA. RP Carena, M (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. NR 62 TC 24 Z9 24 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 035004 DI 10.1103/PhysRevE.76.035004 PG 13 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700048 ER PT J AU Carena, M Ponton, E Santiago, J Wagner, CEM AF Carena, Marcela Ponton, Eduardo Santiago, Jose Wagner, C. E. M. TI Electroweak constraints on warped models with custodial symmetry SO PHYSICAL REVIEW D LA English DT Article ID COMPOSITE HIGGS-MODEL; GAUGE-THEORIES; EXTRA DIMENSIONS; PRECISION TESTS; FERMION MASSES; BULK; SUPERSYMMETRY; BREAKING; UNIFICATION; HIERARCHY AB It has been recently argued that realistic models with warped extra dimensions can have Kaluza-Klein particles accessible at the CERN Large Hadron Collider if a custodial symmetry, SU(2)(V)xP(LR), is used to protect the T parameter and the coupling of the left-handed bottom quark to the Z gauge boson. In this article we emphasize that such a symmetry implies that the loop corrections to both the T parameter and the Zb(L)(b) over bar (L) coupling are calculable. In general, these corrections are correlated, can be sizable, and should be considered to determine the allowed parameter space region in models with warped extra dimensions and custodial symmetry, including Randall-Sundrum models with a fundamental Higgs, models of gauge-Higgs unification, and Higgsless models. As an example, we derive the constraints that arise on a representative model of gauge-Higgs unification from a global fit to the precision electroweak observables. A scan over the parameter space typically leads to a lower bound on the Kaluza-Klein excitations of the gauge bosons of about 2-3 TeV, depending on the configuration. In the fermionic sector one can have Kaluza-Klein excitations with masses of a few hundred GeV. We present the constraints on these light fermions from recent Tevatron searches, and explore interesting discovery channels at the LHC. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. Argonne Natl Lab, HEP Div, Argonne, IL 60439 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Carena, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Ponton, Eduardo/I-4125-2013; Santiago, Jose/D-9109-2016 OI Ponton, Eduardo/0000-0003-3138-1136; Santiago, Jose/0000-0003-3585-5626 NR 63 TC 158 Z9 158 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 035006 DI 10.1103/PhysRevE.76.035006 PG 19 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700050 ER PT J AU Fleming, S Kusunoki, M Mehen, T van Kolck, U AF Fleming, S. Kusunoki, M. Mehen, T. van Kolck, U. TI Pion interactions in the X(3872) SO PHYSICAL REVIEW D LA English DT Article ID EFFECTIVE-FIELD THEORY; HEAVY-QUARK; MESON; DECAYS; DEUTERON AB We consider pion interactions in an effective field theory of the narrow resonance X(3872), assuming it is a weakly bound molecule of the charm mesons D-0(D) over bar (*0) and D-*0(D) over bar (0). Since the hyperfine splitting of the D-0 and D-*0 is only 7 MeV greater than the neutral pion mass, pions can be produced near threshold and are nonrelativistic. We show that pion exchange can be treated in perturbation theory and calculate the next-to-leading-order correction to the partial decay width Gamma[X -> D-0(D) over bar (0)pi(0)]. C1 Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. Jefferson Lab, Newport News, VA 23606 USA. MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA. Univ Groningen, Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. Univ Estadual Paulista, Inst Fis Teor, BR-01405900 Sao Paulo, Brazil. RP Fleming, S (reprint author), Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. EM fleming@physics.arizona.edu; masa@physics.arizona.edu; mehen@phy.duke.edu; vankolck@physics.arizona.edu RI Fleming, Sean/C-3677-2015 OI Fleming, Sean/0000-0002-9553-7198 NR 68 TC 99 Z9 101 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 034006 DI 10.1103/PhysRevD.76.034006 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700022 ER PT J AU Ivanov, MA Korner, JG Kovalenko, SG Roberts, CD AF Ivanov, Mikhail A. Koerner, Juergen G. Kovalenko, Sergey G. Roberts, Craig D. TI B-meson to light-meson transition form factors SO PHYSICAL REVIEW D LA English DT Article ID DYSON-SCHWINGER EQUATIONS; HADRON PHYSICS; COMPOSITE PARTICLES; INFRARED BEHAVIOR; SYMMETRY-BREAKING; CHIRAL-SYMMETRY; DECAY CONSTANT; QUARK-MODEL; QCD; PROPAGATORS AB We report a comprehensive set of results for B-meson heavy-to-light transition form factors calculated using a truncation of, and expression for, the transition amplitudes in which all elements are motivated by the study of Dyson-Schwinger equations in QCD. In this relativistic approach, which realizes confinement and dynamical chiral symmetry breaking, all physical values of momentum transfer in the transition form factors are simultaneously accessible. Our results can be useful in the analysis and correlation of the large body of data being accumulated at extant facilities, and thereby in probing the standard model and beyond. C1 Joint Inst Nucl Res, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Tecn Federico Santa Maria, Ctr Estudios Subatom, Valparaiso, Chile. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Ivanov, MA (reprint author), Joint Inst Nucl Res, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. OI Roberts, Craig/0000-0002-2937-1361 NR 84 TC 40 Z9 40 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 034018 DI 10.1103/PhysRevE.76.034018 PG 12 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700034 ER PT J AU Marquet, C Peschanski, R Soyez, G AF Marquet, C. Peschanski, R. Soyez, G. TI Exclusive vector meson production at HERA from QCD with saturation SO PHYSICAL REVIEW D LA English DT Article ID BALITSKY-KOVCHEGOV EQUATION; DEEP-INELASTIC-SCATTERING; IMPACT PARAMETER; SMALL-X; DIFFRACTIVE ELECTROPRODUCTION; GLUON SATURATION; J/PSI MESONS; MOMENTUM; LEPTOPRODUCTION; FIELD AB Following recent predictions that the geometric scaling properties of deep inelastic scattering data in inclusive gamma(*)p collisions are expected also in exclusive diffractive processes, we investigate the diffractive production of vector mesons. Using analytic results in the framework of the Balitsky-Kovchegov (BK) equation at nonzero momentum transfer, we extend to the nonforward amplitude a QCD-inspired forward saturation model including charm, following the theoretical predictions for the momentum transfer dependence of the saturation scale. We obtain a good fit to the available HERA data and make predictions for deeply virtual Compton scattering measurements. C1 Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. CEA Saclay, Serv Phys Theor, CNRS, UMR 2306, F-91191 Gif Sur Yvette, France. Univ Paris 06, LPTHE, CNRS, UMR 7589, F-75252 Paris 05, France. RP Marquet, C (reprint author), Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. OI Soyez, Gregory/0000-0002-9490-9025 NR 46 TC 58 Z9 58 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 034011 DI 10.1103/PhysRevE.76.034011 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700027 ER PT J AU Sato, I Bedaque, PF AF Sato, Ikuro Bedaque, Paulo F. TI Fitting two nucleons inside a box: Exponentially suppressed corrections to Luscher's formula SO PHYSICAL REVIEW D LA English DT Article ID QUANTUM-FIELD THEORIES; VOLUME DEPENDENCE; ENERGY-SPECTRUM; STATES; SYSTEMS AB Scattering observables can be computed in lattice field theory by measuring the volume dependence of energy levels of two-particle states. The dominant volume dependence, proportional to inverse powers of the volume, is determined by the phase shifts. This universal relation (Luscher's formula) between energy levels and phase shifts is distorted by corrections which, in the large volume limit, are exponentially suppressed. They may be sizable, however, for the volumes used in practice, and they set a limit on how small the lattice can be in these studies. We estimate these corrections, mostly in the case of two nucleons. Qualitatively, we find that the exponentially suppressed corrections are proportional to the square of the potential (or to terms suppressed in the chiral expansion) and the effect due to pions going "around the world" vanishes. Quantitatively, the size of the lattice should be greater than approximate to(5 fm)(3) in order to keep finite volume corrections to the phase less than 1 degrees for realistic pion mass. C1 Univ Maryland, Dept Phys, College Pk, MD 20742 USA. RP Sato, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 17 TC 19 Z9 19 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1550-7998 J9 PHYS REV D JI Phys. Rev. D PD AUG PY 2007 VL 76 IS 3 AR 034502 DI 10.1103/PhysRevE.76.034502 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 206AG UT WOS:000249155700039 ER PT J AU Ben-Naim, E Hengartner, NW AF Ben-Naim, E. Hengartner, N. W. TI Efficiency of competitions SO PHYSICAL REVIEW E LA English DT Article ID PAIRED COMPARISONS; MODEL; RANKING AB League competition is investigated using random processes and scaling techniques. In our model, a weak team can upset a strong team with a fixed probability. Teams play an equal number of head-to-head matches and the team with the largest number of wins is declared to be the champion. The total number of games needed for the best team to win the championship with high certainty T grows as the cube of the number of teams N, i.e., T similar to N(3). This number can be substantially reduced using preliminary rounds where teams play a small number of games and subsequently, only the top teams advance to the next round. When there are k rounds, the total number of games needed for the best team to emerge as champion, T(k), scales as follows, T(k)similar to N(k)(gamma) with gamma(k)=[1-(2/3)(k+1)](-1). For example, gamma(k)=9/5,27/19,81/65 for k=1,2,3. These results suggest an algorithm for how to infer the best team using a schedule that is linear in N. We conclude that league format is an ineffective method of determining the best team, and that sequential elimination from the bottom up is fair and efficient. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Computat Comp & Stat Sci Div, Los Alamos, NM 87545 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Ben-Naim, Eli/C-7542-2009; OI Ben-Naim, Eli/0000-0002-2444-7304; Hengartner, Nicolas/0000-0002-4157-134X NR 28 TC 9 Z9 9 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026106 DI 10.1103/PhysRevE.76.026106 PN 2 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700011 PM 17930103 ER PT J AU Chu, XQ Kolesnikov, AI Moravsky, AP Garcia-Sakai, V Chen, SH AF Chu, X.-Q. Kolesnikov, A. I. Moravsky, A. P. Garcia-Sakai, V. Chen, S.-H. TI Observation of a dynamic crossover in water confined in double-wall carbon nanotubes SO PHYSICAL REVIEW E LA English DT Article ID STRONG LIQUID TRANSITION; SUPERCOOLED WATER; ICE NANOTUBES; SILICA AB High-resolution quasielastic neutron scattering spectroscopy was used to measure H2O hydrated double-wall carbon nanotubes (DWNT). The measurements were made at a series of temperatures from 250 K down to 150 K. The relaxing-cage model was used to analyze the quasielastic spectra. We observed clear evidence of a fragile-to-strong dynamic crossover (FSC) at T-L=190 K in the confined water. We further show that the mean-square atomic displacement of the hydrogen atoms in water exhibits a sharp change in slope at approximately the same temperature 190 K. Comparing the result with that obtained from the confined water in hydrophilic porous silica material MCM-41, we demonstrate experimentally that water confined in a hydrophobic substrate exhibits a lower dynamic crossover temperature by Delta T-L approximate to 35 K. C1 MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. MER Corp, Tucson, AZ 85706 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. RP Chen, SH (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM sowhsin@mit.edu RI Chu, Xiangqiang/A-1572-2011; Kolesnikov, Alexander/I-9015-2012; OI Kolesnikov, Alexander/0000-0003-1940-4649; Garcia Sakai, Victoria/0000-0001-6570-4218; Chu, Xiang-qiang/0000-0003-4320-5316 NR 33 TC 52 Z9 52 U1 0 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 021505 DI 10.1103/PhysRevE.76.021505 PN 1 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZV UT WOS:000249154600048 PM 17930042 ER PT J AU Harris, JR Neumann, JG Tian, K O'Shea, PG AF Harris, J. R. Neumann, J. G. Tian, K. O'Shea, P. G. TI Longitudinal density modulation and energy conversion in intense beams SO PHYSICAL REVIEW E LA English DT Article ID SPACE-CHARGE WAVES; DOMINATED ELECTRON-BEAMS; LOCALIZED PERTURBATIONS; VACUUM ELECTRONICS; PHOTOCATHODES; GUNS AB Density modulation of charged particle beams may occur as a consequence of deliberate action, or may occur inadvertently because of imperfections in the particle source or acceleration method. In the case of intense beams, where space charge and external focusing govern the beam dynamics, density modulation may, under some circumstances, be converted to velocity modulation, with a corresponding conversion of potential energy to kinetic energy. Whether this will occur depends on the properties of the beam and the initial modulation. This paper describes the evolution of discrete and continuous density modulations on intense beams and discusses three recent experiments related to the dynamics of density-modulated electron beams. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Naval Res Lab, Washington, DC 20379 USA. Univ Maryland, Dept Elect & Comp Engn, College Pk, MD 20740 USA. RP Harris, JR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Tian, Kai/B-8023-2012 NR 45 TC 9 Z9 9 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026402 DI 10.1103/PhysRevE.76.026402 PN 2 PG 14 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700065 PM 17930157 ER PT J AU Heim, AJ Gronbech-Jensen, N Germann, TC Holian, BL Kober, EM Lomdahl, PS AF Heim, Andrew J. Gronbech-Jensen, Niels Germann, Timothy C. Holian, Brad Lee Kober, Edward M. Lomdahl, Peter S. TI Influence of interatomic bonding potentials on detonation properties SO PHYSICAL REVIEW E LA English DT Article ID MOLECULAR-DYNAMICS; SIMULATION; INITIATION; SYSTEMS; ENERGY AB The dependences of the macroscopic detonation properties of a two-dimensional (2D) diatomic (AB) molecular system on the fundamental molecular properties were investigated. This includes examining the detonation velocity, reaction zone thickness, and critical width as functions of the exothermicity (Q) of the gasphase reaction [AB -> (1/2)(A(2)+ B(2))] and the gas-phase dissociation energy (D(e)(AB)) for AB -> A+ B. Following previous work, molecular dynamics (MD) simulations with a reactive empirical bond-order potential were used to characterize the shock-induced response of a diatomic AB molecular solid, which exothermically reacts to produce A(2) and B2 gaseous products. Nonequilibrium MD simulations reveal that there is a linear dependence between the square of the detonation velocity and both of these molecular parameters. The detonation velocities were shown to be consistent with the Chapman-Jouguet (CJ) model, demonstrating that these dependences arise from how the equation of state of the products and reactants are affected. Equilibrium MD simulations of microcanonical ensembles were used to determine the CJ states for varying Q's, and radial distribution functions characterize the atomic structure. The character of this material near the CJ conditions was found to be somewhat unusual, consisting of polyatomic clusters rather than discrete molecular species. It was also found that there was a minimum value of Q and a maximum value of De AB for which a pseudo-one-dimensional detonation could not be sustained. The reaction zone of this material was characterized under both equilibrium (CJ) and transient (underdriven) conditions. The basic structure is consistent with the Zeldovich-von Neumann-Doring model, with a sharp shock rise and a reaction zone that extends to 200-300 angstrom. The underdriven systems show a buildup process which requires an extensive time to approach equilibrium conditions. The rate stick failure diameter (critical width in 2D) was also found to depend on Q and De AB. The dependence on Q could be explained in terms of the reaction zone properties. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Kober, EM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM emk@lanl.gov OI Germann, Timothy/0000-0002-6813-238X NR 42 TC 8 Z9 8 U1 1 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026318 DI 10.1103/PhysRevE.76.026318 PG 13 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700061 PM 17930153 ER PT J AU Khan, S Bandyopadhyay, S Ganguly, AR Saigal, S Erickson, DJ Protopopescu, V Ostrouchov, G AF Khan, Shiraj Bandyopadhyay, Sharba Ganguly, Auroop R. Saigal, Sunil Erickson, David J., III Protopopescu, Vladimir Ostrouchov, George TI Relative performance of mutual information estimation methods for quantifying the dependence among short and noisy data SO PHYSICAL REVIEW E LA English DT Article ID TIME-SERIES AB Commonly used dependence measures, such as linear correlation, cross-correlogram, or Kendall's tau, cannot capture the complete dependence structure in data unless the structure is restricted to linear, periodic, or monotonic. Mutual information (MI) has been frequently utilized for capturing the complete dependence structure including nonlinear dependence. Recently, several methods have been proposed for the MI estimation, such as kernel density estimators (KDEs), k-nearest neighbors (KNNs), Edgeworth approximation of differential entropy, and adaptive partitioning of the XY plane. However, outstanding gaps in the current literature have precluded the ability to effectively automate these methods, which, in turn, have caused limited adoptions by the application communities. This study attempts to address a key gap in the literature-specifically, the evaluation of the above methods to choose the best method, particularly in terms of their robustness for short and noisy data, based on comparisons with the theoretical MI estimates, which can be computed analytically, as well with linear correlation and Kendall's tau. Here we consider smaller data sizes, such as 50, 100, and 1000, and within this study we characterize 50 and 100 data points as very short and 1000 as short. We consider a broader class of functions, specifically linear, quadratic, periodic, and chaotic, contaminated with artificial noise with varying noise-to-signal ratios. Our results indicate KDEs as the best choice for very short data at relatively high noise-to-signal levels whereas the performance of KNNs is the best for very short data at relatively low noise levels as well as for short data consistently across noise levels. In addition, the optimal smoothing parameter of a Gaussian kernel appears to be the best choice for KDEs while three nearest neighbors appear optimal for KNNs. Thus, in situations where the approximate data sizes are known in advance and exploratory data analysis and/or domain knowledge can be used to provide a priori insights into the noise-to-signal ratios, the results in the paper point to a way forward for automating the process of MI estimation. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ S Florida, Tampa, FL 33620 USA. Johns Hopkins Univ, Dept Biomed Engn, Baltimore, MD 21218 USA. RP Ganguly, AR (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM gangulyar@ornl.gov NR 30 TC 62 Z9 64 U1 1 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 EI 1550-2376 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026209 DI 10.1103/PhysRevE.76.026209 PN 2 PG 15 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700031 PM 17930123 ER PT J AU Marginean, I Nemes, P Vertes, A AF Marginean, Ioan Nemes, Peter Vertes, Akos TI Astable regime in electrosprays SO PHYSICAL REVIEW E LA English DT Article ID ELECTRIC-FIELD; FUNCTIONING MODES; LIQUIDS; DYNAMICS; CLASSIFICATION; ATOMIZATION; IONIZATION; DROPS AB Astable regimes are common in nonlinear systems ranging from electrooptic devices to cardiac rhythms under environmental stress. Electrosprays exhibit three main axial regimes (dripping, pulsating, and cone-jet). It is generally accepted that the transition between the pulsating and cone- jet regimes is sudden, accompanied by an abruptly enhanced spray current. Here we present an alternative to this scenario, in which the electrospray follows a new chaotic astable path to the cone- jet regime. The astable regime could be explained as a result of transitions between a limit cycle (pulsating regime) and a fixed point (cone-jet regime) in a subcritical Andronov-Hopf bifurcation due to small external perturbations (noise). With the introduction of this regime, a broader view of the diverse axial regimes becomes possible based on nonlinear dynamics that enables their consistent classification. C1 George Washington Univ, Dept Chem, Washington, DC 20052 USA. RP Marginean, I (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RI Marginean, Ioan/A-4183-2008; Nemes, Peter/C-3145-2008; Vertes, Akos/B-7159-2008; Han, Kyuhee/B-6201-2009 OI Marginean, Ioan/0000-0002-6693-0361; Vertes, Akos/0000-0001-5186-5352; NR 27 TC 44 Z9 44 U1 1 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026320 DI 10.1103/PhysRevE.76.026320 PN 2 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700063 PM 17930155 ER PT J AU Marts, B Simpson, DJW Hagberg, A Lin, AL AF Marts, Bradley Simpson, David J. W. Hagberg, Aric Lin, Anna L. TI Period doubling in a periodically forced Belousov-Zhabotinsky reaction SO PHYSICAL REVIEW E LA English DT Article ID VANDERPOL OSCILLATOR; DEVILS STAIRCASE; SPIRAL WAVES; DRIVEN OSCILLATOR; CHEMICAL-SYSTEM; ARNOLD TONGUES; CHAOS; BIFURCATIONS; PATTERNS; DEFECTS AB Using an open-flow reactor periodically perturbed with light, we observe subharmonic frequency locking of the oscillatory Belousov-Zhabotinsky chemical reaction at one-sixth the forcing frequency (6:1) over a region of the parameter space of forcing intensity and forcing frequency where the Farey sequence dictates we should observe one-third the forcing frequency (3:1). In this parameter region, the spatial pattern also changes from slowly moving traveling waves to standing waves with a smaller wavelength. Numerical simulations of the FitzHugh-Nagumo equations show qualitative agreement with the experimental observations and indicate that the oscillations in the experiment are a result of period doubling. C1 Duke Univ, Ctr Nonlinear & Complex Syst, Durham, NC 27708 USA. Duke Univ, Dept Phys, Durham, NC 27708 USA. Univ Colorado, Dept Appl Math, Boulder, CO 80309 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Marts, B (reprint author), Duke Univ, Ctr Nonlinear & Complex Syst, Durham, NC 27708 USA. NR 35 TC 7 Z9 8 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026213 DI 10.1103/PhysRevE.76.026213 PN 2 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700035 PM 17930127 ER PT J AU Roy, I Dmitriev, SV Kevrekidis, PG Saxena, A AF Roy, Ishani Dmitriev, Sergey V. Kevrekidis, Panayotis G. Saxena, Avadh TI Comparative study of different discretizations of the phi(4) model SO PHYSICAL REVIEW E LA English DT Article ID KINK-ANTIKINK INTERACTIONS; SINE-GORDON SYSTEM; EQUATIONS; COLLISIONS; DYNAMICS; LATTICES; RESONANCE; SOLITARY; SOLITONS; WAVES AB We examine various recently proposed translationally invariant discretizations of the well-known phi(4) field theory. We compare and contrast the properties of their fundamental solutions including the nature of their kink-type solitary waves and the spectral properties of the linearization around such waves. We study these features as a function of the lattice spacing h, as one deviates from the continuum limit of h -> 0. We then proceed to a more "stringent" comparison of the models, by discussing the scattering properties of a kink-antikink pair for the different discretizations. These collisions are well known to possess properties that quite sensitively depend on the initial speed even at the continuum limit. We examine how typical model behaviors are modified in the presence (and as a function) of discreteness. One of the surprising trends that we observe is the increasing elasticity of kink collisions with deviation from the continuum limit. Another general feature is that the most inelastic kink collisions are observed in the classical discrete phi(4) model, while they are more elastic in the four studied translationally invariant models. C1 Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Tokyo, Inst Ind Sci, Meguro Ku, Tokyo 1538505, Japan. RP Roy, I (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. OI Dmitriev, Sergey/0000-0002-6744-4445 NR 43 TC 10 Z9 11 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026601 DI 10.1103/PhysRevE.76.026601 PN 2 PG 14 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700069 PM 17930161 ER PT J AU Schilling, O Latini, M Don, WS AF Schilling, Oleg Latini, Marco Don, Wai Sun TI Physics of reshock and mixing in single-mode Richtmyer-Meshkov instability SO PHYSICAL REVIEW E LA English DT Article ID RAYLEIGH-TAYLOR INSTABILITY; TWO-DIMENSIONAL TURBULENCE; NUMERICAL-SIMULATION; 2-DIMENSIONAL TURBULENCE; AIR/SF6 INTERFACE; SHEAR-LAYER; SHOCK-WAVE; DEPOSITION; ALGORITHM; ORDER AB The ninth-order weighted essentially nonoscillatory (WENO) shock-capturing method is used to investigate the physics of reshock and mixing in two-dimensional single-mode Richtmyer-Meshkov instability to late times. The initial conditions and computational domain were adapted from the Mach 1.21 air (acetone)/SF6 shock tube experiment of Collins and Jacobs [J. Fluid Mech. 464, 113 (2002)]: the growth of the bubble and spike amplitudes from fifth- and ninth-order WENO simulations of this experiment were compared to the predictions of linear and nonlinear amplitude growth models, and were shown to be in very good agreement with the experimental data prior to reshock by Latini, Schilling, and Don [Phys. Fluids 19, 024104 (2007)]. In the present investigation, the density, vorticity, baroclinic vorticity production, and simulated density Schlieren fields are first presented to qualitatively describe the reshock process. The baroclinic circulation deposition on the interface is shown to agree with the predictions of the Samtaney-Zabusky model and with linear instability theory. The time evolution of the positive and negative circulation on the interface is considered before and after reshock: it is shown that the magnitudes of the circulations are equal before as well as after reshock, until the interaction of the reflected rarefaction with the layer induces flow symmetry breaking and different evolutions of the magnitude of the positive and negative circulation. The post-reshock mixing layer growth is shown to be in generally good agreement with three models predicting linear growth for a short time following reshock. Next, a comprehensive investigation of local and global mixing properties as a function of time is performed. The distribution and amount of mixed fluid along the shock propagation direction is characterized using averaged mole fraction profiles, a fast kinetic reaction model, and mixing fractions. The modal distribution of energy in the mixing layer is quantified using the spectra of the fluctuating kinetic energy, fluctuating enstrophy, pressure variance, density variance, and baroclinic vorticity production variance. It is shown that a broad range of scales already exists prior to reshock, indicating that the single-mode Richtmyer-Meshkov instability develops nontrivial spectral content from its inception. The comparison of the spectra to the predictions of classical inertial subrange scalings in two-dimensional turbulence shows that the post-reshock spectra may be consistent with many of these scalings over wave number ranges less than a decade. At reshock, fluctuations in all fields (except for the density) are amplified across all scales. Reshock strongly amplifies the circulation, profiles, and mixing fractions, as well as the energy spectra and statistics, leading to enhanced mixing followed by a decay. The mole and mixing fraction profiles become nearly self-similar at late times following reshock; the mixing fraction exhibits an approach toward unity across the layer at the latest time, signifying nearly complete mixing of the gases. To directly quantify the amplification of fluctuations by reshock, the previously considered quantities are compared immediately after and before reshock. Finally, to investigate the decay of fluctuations in the absence of additional waves interacting with the mixing layer following reshock, the boundary condition at the end of the computational domain is changed from reflecting to outflow to allow the reflected rarefaction wave to exit the domain. It is demonstrated that the eflected rarefaction has an important role in breaking symmetry and achieving late-time statistical isotropy of the velocity field. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. CALTECH, Pasadena, CA 91125 USA. Brown Univ, Div Appl Math, Providence, RI 02912 USA. RP Schilling, O (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM schilling1@llnl.gov; mlatini@acm.caltech.edu; wsdon@cfm.brown.edu RI Don, Wai Sun/B-7194-2009; HKBU, Mathematics/B-5086-2009; OI Schilling, Oleg/0000-0002-0623-2940 NR 56 TC 37 Z9 39 U1 1 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026319 DI 10.1103/PhysRevE.76.026319 PN 2 PG 28 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700062 PM 17930154 ER PT J AU Schlamp, S Hathorn, BC AF Schlamp, Stefan Hathorn, Bryan C. TI Incomplete molecular chaos within dense-fluid shock waves SO PHYSICAL REVIEW E LA English Estonian DT Article ID EQUATION-OF-STATE; HARD-SPHERE FLUID; NONEQUILIBRIUM; DYNAMICS; NITROGEN; ARGON; GAS; TEMPERATURES; SIMULATION; PRESSURES AB Large-scale molecular dynamics simulations of an M-s=4.3 shock in dense argon (p= 532 kg/m(3), T = 300 K) and an M-s=3.6 shock in dense nitrogen (p=371 kg/m(3), T=300 K) have been performed. The two-point molecular velocity correlation function is calculated within slices in plane with the shock wave. Longrange (similar to ten molecular radii) positive correlations (correlation coefficient 0.05) are observed for the shock-normal velocity component, the in-plane velocity component, and the rotation rates. No correlations are found upstream or downstream of the shock, indicating that this is a nonequilibrium effect. These correlations violate one of the assumptions underlying the Boltzmann equation. C1 ETH, Inst Fluid Dynam, CH-8092 Zurich, Switzerland. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Schlamp, S (reprint author), IFSC, Susquehanna Int Grp, Dublin 1, Ireland. EM schlamp@ifd.mavt.ethz.ch; hathornb@ornl.gov RI Schlamp, Stefan/A-9143-2008 OI Schlamp, Stefan/0000-0002-9933-3096 NR 19 TC 3 Z9 3 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026314 DI 10.1103/PhysRevE.76.026314 PN 2 PG 6 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700057 PM 17930149 ER PT J AU Yu, H Li, N Ecke, RE AF Yu, Huidan Li, Ning Ecke, Robert E. TI Scaling in laminar natural convection in laterally heated cavities: Is turbulence essential in the classical scaling of heat transfer? SO PHYSICAL REVIEW E LA English DT Article ID RAYLEIGH-BENARD CONVECTION; SQUARE CAVITY; VERTICAL SLOT; FLOW; AIR; LAYERS AB 6 We analyze heat transfer and flow properties in laminar natural convection driven by a horizontal temperature gradient in a closed cavity and propose that for the classical scaling of heat transfer turbulence does not play a decisive role. Direct numerical simulations were performed with the Rayleigh number (Ra) from 1 to 10(8) and the Prandtl number Pr=0.71. In the laminar steady flow regime with the Ra approximately from 10(3) to 10(7), power-law scalings of heat transfer and maximum velocity with Ra have exponents of 0.31 and 0.54, respectively. The scalings agree well with results obtained in turbulent Rayleigh-Bernard convection, turbulent convection in laterally heated cavities and laminar convection in inclined enclosures, etc., which, with some simple physical arguments and reviews of the literature, leads us to propose that turbulence is not essential for the classical near 1/3 power-law scaling of Nu. C1 Los Alamos Natl Lab, Comp Computat & Stat Div, Los Alamos, NM 87544 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA. Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87544 USA. RP Yu, H (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Div, POB 1663, Los Alamos, NM 87544 USA. OI Ecke, Robert/0000-0001-7772-5876 NR 28 TC 11 Z9 11 U1 1 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1539-3755 J9 PHYS REV E JI Phys. Rev. E PD AUG PY 2007 VL 76 IS 2 AR 026303 DI 10.1103/PhysRevE.76.026303 PN 2 PG 4 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA 205ZW UT WOS:000249154700046 PM 17930138 ER PT J AU Furman, MA AF Furman, Miguel A. TI Electric field of a 2D elliptical charge distribution inside a cylindrical conductor SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB By combining the method of images with calculus of complex variables, we provide a simple expression for the electric field of a two-dimensional ( 2D) static elliptical charge distribution inside a perfectly conducting circular cylinder. The charge distribution need not be concentric with the cylinder. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Beam Phys, Berkeley, CA 94720 USA. RP Furman, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Beam Phys, Bldg 71R0259,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM mafurman@lbl.gov NR 7 TC 5 Z9 5 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD AUG PY 2007 VL 10 IS 8 AR 081001 DI 10.1103/PhysRevSTAB.10.081001 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 209QG UT WOS:000249402500005 ER PT J AU Kim, KJ Kumar, V AF Kim, Kwang-Je Kumar, Vinit TI Electron beam requirements for a three-dimensional Smith-Purcell backward-wave oscillator for intense terahertz radiation SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article ID LASER AB A Smith-Purcell device can operate as a backward-wave oscillator for intense, narrow-bandwidth, continuous wave radiation at terahertz wavelengths. We determine the requirements on electron beam current and emittance for the system to oscillate based on a three-dimensional extension of our previous two-dimensional analysis. It is found that specially designed electron beams are required with a current that exceeds a certain threshold value and a flat transverse profile that allows the beam to travel very close to the grating surface. Two methods for producing electron beams with the required characteristics are discussed. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Raja Ramanna Ctr Adv Technol, Indore, India. RP Kim, KJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 32 TC 27 Z9 28 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD AUG PY 2007 VL 10 IS 8 AR 080702 DI 10.1103/PhysRevSTAB.10.080702 PG 8 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 209QG UT WOS:000249402500003 ER PT J AU Pozdeyev, E AF Pozdeyev, E. TI Ion trapping and cathode bombardment by trapped ions in dc photoguns SO PHYSICAL REVIEW SPECIAL TOPICS-ACCELERATORS AND BEAMS LA English DT Article AB Ion back bombardment is believed to be a main cause of degradation of quantum efficiency of photocathodes in fixed- voltage photoguns. Ions produced in collisions of the electron beam with residual gas in the cathode- anode gap are accelerated towards the cathode and bombard the cathode surface, reducing its quantum efficiency. In addition to ions produced in the accelerating gap, there is another source of ions that has been overlooked so far in existing models of ion bombardment: ions produced in a beam transport line beyond the anode and trapped in the electron beam. These ions can drift back to the cathode and increase the rate of ion bombardment. This article shows that the flux of trapped ions can significantly exceed the flux of ions produced directly in the accelerating cathode- anode gap. The paper also describes a simple and effective solution to the problem of trapped ions, a positive potential barrier. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Pozdeyev, E (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM pozdeyev@bnl.gov NR 14 TC 3 Z9 4 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1098-4402 J9 PHYS REV SPEC TOP-AC JI Phys. Rev. Spec. Top.-Accel. Beams PD AUG PY 2007 VL 10 IS 8 AR 083501 DI 10.1103/PhysRevSTAB.10.083501 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 209QG UT WOS:000249402500010 ER PT J AU Birn, J Hesse, M AF Birn, J. Hesse, M. TI Reconnection rates in driven magnetic reconnection SO PHYSICS OF PLASMAS LA English DT Article ID COALESCENCE INSTABILITY; CURRENT SHEETS; ISLANDS; MAGNETOTAIL; CHALLENGE; FIELDS AB Using resistive magnetohydrodynamic simulations, we investigate the influence of various parameters on the reconnection rate in two scenarios of magnetic reconnection. The first scenario consists of the "Newton Challenge" problem [Birn , Geophys. Res. Lett. 32, L06105 (2005)]. In this scenario, reconnection is initiated in a plane Harris-type current sheet by temporally limited, spatially varying, inflow of magnetic flux. The second scenario consists of the well-studied island coalescence problem. This scenario starts from an equilibrium containing periodic magnetic islands with parallel current filaments. Due to the attraction between parallel currents, pairs of islands may move toward each other, forming a current sheet in between. This leads to reconnection and ultimately the merging of islands. In either scenario, magnetic reconnection may be considered as being driven by external or internal forcing. Consistent with that interpretation we find that in either case the maximum reconnection rate (electric field) depends approximately linearly on the maximum driving electric field, when other parameters remain unchanged. However, this can be understood mostly from the change of characteristic background parameters; particularly, the increase of the magnetic field strength in the inflow region due to the added magnetic flux. This interpretation is consistent with the result that the maximum of the reconnection electric field is assumed significantly later (tens of Alfven times) than the maximum driving and typically does not match the instantaneous driving electric field. Furthermore, the reconnection rate also depends on the resistivity and the time scale of the driving. (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Birn, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Hesse, Michael/D-2031-2012; NASA MMS, Science Team/J-5393-2013 OI NASA MMS, Science Team/0000-0002-9504-5214 NR 28 TC 14 Z9 14 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 082306 DI 10.1063/1.2752510 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600019 ER PT J AU Gao, Z Fisch, NJ Qin, H Myra, JR AF Gao, Zhe Fisch, Nathaniel J. Qin, Hong Myra, J. R. TI Nonlinear nonresonant forces by radio-frequency waves in plasmas SO PHYSICS OF PLASMAS LA English DT Article ID LOW-FREQUENCY WAVES; CURRENT DRIVE; TOKAMAK PLASMAS; PONDEROMOTIVE FORCES; HELICITY INJECTION; CURRENT GENERATION; SHEAR SUPPRESSION; POLOIDAL FLOW; TRANSPORT; FORMULATION AB Nonresonant forces by applied rf waves in plasmas are analyzed. Along the background dc magnetic field, the force arises from the gradient of the ponderomotive potential. Only when the dc magnetic field is straight, however, is this parallel force completely consistent with that from the single particle picture, where the ponderomotive force depends on the gradients of rf fields only. Across the dc magnetic field, besides the ponderomotive force from the particle picture, additional Reynolds stress and polarization stress contribute to the total force. For waves with frequency much lower than the cyclotron frequency, the perpendicular forces from the particle and fluid pictures can have opposite signs. In plasmas with a symmetry angle (e.g., toroidal systems), nonresonant forces cannot drive net flow or current in the flux surface, but the radial force may influence macroscopic behavior of plasma. Moreover, nonresonant forces may drive flow or current in linear plasmas or in a localized region of toroidal plasmas. C1 Tsing Hua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Lodestar Res Corp, Boulder, CO 80301 USA. RP Gao, Z (reprint author), Tsing Hua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. NR 36 TC 9 Z9 10 U1 2 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 084502 DI 10.1063/1.2775431 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600056 ER PT J AU Nevins, WM Parker, SE Chen, Y Candy, J Dimit, A Dorland, W Hammett, GW Jenko, F AF Nevins, W. M. Parker, S. E. Chen, Y. Candy, J. Dimit, A. Dorland, W. Hammett, G. W. Jenko, F. TI Verification of gyrokinetic delta f simulations of electron temperature gradient turbulence SO PHYSICS OF PLASMAS LA English DT Article ID DRIVEN TURBULENCE; TRANSPORT; MICROTURBULENCE; DYNAMICS AB The GEM gyrokinetic delta f simulation code [Y. Chen and S. Parker, J. Comput. Phys. 189, 463 (2003); and ibid.220, 839 (2007)] is shown to reproduce electron temperature gradient turbulence at the benchmark operating point established in previous work [W. M. Nevins, J. Candy, S. Cowley, T. Dannert, A. Dimits, W. Dorland, C. Estrada-Mila, G. W. Hammett, F. Jenko, M. J. Pueschel, and D. E. Shumaker, Phys. Plasmas 13, 122306 (2006)]. The electron thermal transport is within 10% of the expected value, while the turbulent fluctuation spectrum is shown to have the expected intensity and two-point correlation function. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Colorado, Boulder, CO 80309 USA. Gen Atom Co, San Diego, CA 92186 USA. Univ Maryland, College Pk, MD 20742 USA. Princeton Plasma Phys Lab, Princeton, NJ 08536 USA. Max Planck Inst Plasma Phys, D-85748 Garching, Germany. RP Nevins, WM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Hammett, Gregory/D-1365-2011; Dorland, William/B-4403-2009 OI Hammett, Gregory/0000-0003-1495-6647; Dorland, William/0000-0003-2915-724X NR 21 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 084501 DI 10.1063/1.2759890 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600055 ER PT J AU Schroeder, CB Esarey, E Shadwick, BA AF Schroeder, C. B. Esarey, E. Shadwick, B. A. TI Wave-breaking limits for relativistic electrostatic waves in a one-dimensional warm plasma SO PHYSICS OF PLASMAS LA English DT Editorial Material ID FLUID C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. Inst Adv Phys, Conifer, CO 80433 USA. RP Schroeder, CB (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 NR 11 TC 5 Z9 5 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 084701 DI 10.1063/1.2752521 PG 3 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600060 ER PT J AU Tracy, ER Kaufman, AN Jaun, A AF Tracy, E. R. Kaufman, A. N. Jaun, A. TI Local fields for asymptotic matching in multidimensional mode conversion SO PHYSICS OF PLASMAS LA English DT Article ID LEVEL-CROSSING PROBLEM; SEMICLASSICAL ANALYSIS; INELASTIC COLLISIONS; NONUNIFORM MEDIA; GEOMETRIC OPTICS; WAVE CONVERSION; NORMAL FORMS; FORMULATION; RESONANCE; EMISSION AB The problem of resonant mode conversion in multiple spatial dimensions is considered. Using phase space methods, a complete theory is developed for constructing matched asymptotic expansions that fit incoming and outgoing WKB solutions. These results provide, for the first time, a complete and practical method for including multidimensional conversion in ray tracing algorithms. The paper provides a self-contained description of the following topics: (1) how to use eikonal (also known as ray tracing or WKB) methods to solve vector wave equations and how to detect conversion regions while following rays; (2) once conversion is detected, how to fit to a generic saddle structure in ray phase space associated with the most common type of conversion; (3) given the saddle structure, how to carry out a local projection of the full vector wave equation onto a local two-component normal form that governs the two resonantly interacting waves. This determines both the uncoupled dispersion functions and the coupling constant, which in turn determine the uncoupled WKB solutions; (4) given the normal form of the local two-component wave equation, how to find the particular solution that matches the amplitude, phase, and polarization of the incoming ray, to the amplitude, phase, and polarization of the two outgoing rays: the transmitted and converted rays. (C) 2007 American Institute of Physics. C1 Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Royal Inst Technol, NADA, S-10044 Stockholm, Sweden. RP Tracy, ER (reprint author), Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. EM ertrac@wm.edu NR 47 TC 7 Z9 8 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 082102 DI 10.1063/1.2748051 PG 28 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600003 ER PT J AU Zhou, Y AF Zhou, Ye TI Unification and extension of the similarity scaling criteria and mixing transition for studying astrophysics using high energy density laboratory experiments or numerical simulations SO PHYSICS OF PLASMAS LA English DT Article ID NATIONAL IGNITION FACILITY; HIGH REYNOLDS-NUMBER; ISOTROPIC TURBULENCE; INTENSE LASERS; FUSION; SUPERNOVAE; TAYLOR; FLOWS AB The Euler similarity criteria for laboratory experiments and time-dependent mixing transition are important concepts introduced recently for application to prediction and analysis of astrophysical phenomena. However, Euler scaling by itself provides no information on the distinctive spectral range of high Reynolds number turbulent flows found in astrophysics situations. On the other hand, time-dependent mixing transition gives no indication on whether a flow that just passed the mixing transition is sufficient to capture all of the significant dynamics of the complete astrophysical spectral range. In this paper, a new approach, based on additional insight gained from review of Navier-Stokes turbulence theory, is developed. It allows for revelations about the distinctive spectral scale dynamics associated with high Reynolds number astrophysical flows. From this perspective, the energy-containing range of the turbulent flow measured in a laboratory setting must not be unintentionally contaminated in such a way that the interactive influences of this spectral scale range in the corresponding astrophysical situation cannot be faithfully represented. In this paper, the concept of a minimum state is introduced as the lowest Reynolds number turbulent flow that a time-dependent mixing transition must achieve to fulfill this objective. Later in the paper, the Reynolds number of the minimum state is determined as 1.6x10(5). The temporal criterion for the minimum state is also obtained. The efforts here can be viewed as a unification and extension of the concepts of both similarity scaling and transient mixing transition concepts. Finally, the implications of our approach in planning future intensive laser experiments or massively parallel numerical simulations are discussed. A systematic procedure is outlined so that as the capabilities of the laser interaction experiments and supporting results from detailed numerical simulations performed in recently advanced supercomputing facilities increase progressively, a strategy is developed so that a progressively increasing range of dynamic structures and their statistical influences on evolving astrophysical flows can be attained in laboratory investigations. (C) 2007 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Zhou, Y (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 52 TC 38 Z9 38 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD AUG PY 2007 VL 14 IS 8 AR 082701 DI 10.1063/1.2739439 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 206AP UT WOS:000249156600040 ER PT J AU Jackson, JD Quigg, C AF Jackson, J. David Quigg, Chris TI Maurice Rene Georges Jacob - Obituary SO PHYSICS TODAY LA English DT Biographical-Item C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Jackson, JD (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. NR 1 TC 0 Z9 0 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 0031-9228 J9 PHYS TODAY JI Phys. Today PD AUG PY 2007 VL 60 IS 8 BP 72 EP 73 DI 10.1063/1.2774112 PG 2 WC Physics, Multidisciplinary SC Physics GA 196PX UT WOS:000248495600025 ER PT J AU Crease, RP AF Crease, Robert P. TI Critical point experts SO PHYSICS WORLD LA English DT Editorial Material C1 SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD AUG PY 2007 VL 20 IS 8 BP 18 EP 18 PG 1 WC Physics, Multidisciplinary SC Physics GA 197MP UT WOS:000248560200018 ER PT J AU Nollett, K AF Nollett, Kenneth TI Testing the elements of the big bang SO PHYSICS WORLD LA English DT Article ID STARS C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Nollett, K (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. EM nollett@anl.gov OI Nollett, Kenneth/0000-0002-0671-320X NR 5 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD AUG PY 2007 VL 20 IS 8 BP 20 EP 26 PG 7 WC Physics, Multidisciplinary SC Physics GA 197MP UT WOS:000248560200025 ER PT J AU Morse, AM Tschaplinski, TJ DerviniS, C Pijut, PM Schmelz, EA Day, W Davis, JM AF Morse, Alison M. Tschaplinski, Timothy J. DerviniS, Christopher Pijut, Paula M. Schmelz, Eric A. Day, Wendy Davis, John M. TI Salicylate and catechol levels are maintained in nahG transgenic poplar SO PHYTOCHEMISTRY LA English DT Article DE Populus treniula x P. alba hybrid; salicaceae; phenolic glycoside; catechol; quinic acid; salicylic acid; salicylate hydroxylase; nahG ID SYSTEMIC ACQUIRED-RESISTANCE; FOREST TENT CATERPILLARS; PHENOLIC GLYCOSIDES; METABOLITE PROFILES; DISEASE RESISTANCE; ACID BIOSYNTHESIS; GENE-EXPRESSION; GYPSY MOTHS; ACCUMULATION; ASPEN AB Metabolic profiling was used to investigate the molecular phenotypes of a transgenic Populus tremula x P. alba hybrid expressing the nahG transgene, a bacteria] gene encoding salicylate hydroxylase that converts salicylic acid to catechol. Despite the efficacy of this transgenic approach to reduce salicylic acid levels in other model systems and thereby elucidate roles for salicylic acid in plant signaling, transgenic poplars had similar foliar levels of salicylic acid and catechol to that of non-transformed controls and exhibited no morphological phenotypes. To gain a deeper understanding of the basis for these observations, we analyzed metabolic profiles of leaves as influenced by transgene expression. Expression of nahG decreased quinic acid conjugates and increased catechol glucoside, while exerting little effect on levels of salicylic acid and catechol, the substrate and product, respectively, of the nahG enzyme. This suggests a biological role of elevated constitutive salicylic acid levels in Populus, in contrast to other plant systems in which nahG dramatically reduces salicylic acid levels. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. USDA, Forest Serv, Hardwood Tree Improvement & Regenerat Ctr, No Res Stn, W Lafayette, IN 47907 USA. USDA, Agr Res Serv, Chem Res Unit, Gainesville, FL 32608 USA. Univ Florida, Genet Inst, Gainesville, FL 32611 USA. RP Morse, AM (reprint author), Univ Florida, Sch Forest Resources & Conservat, POB 110410, Gainesville, FL 32611 USA. EM ammorse@ufl.edu RI Pijut, Paula/N-6789-2015; OI Schmelz, Eric/0000-0002-2837-734X; Tschaplinski, Timothy/0000-0002-9540-6622 NR 44 TC 16 Z9 16 U1 4 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0031-9422 J9 PHYTOCHEMISTRY JI Phytochemistry PD AUG PY 2007 VL 68 IS 15 BP 2043 EP 2052 DI 10.1016/j.phytochem.2007.05.014 PG 10 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA 203LS UT WOS:000248976700003 PM 17599371 ER PT J AU Libourel, IGL Gehan, JP Shachar-Hill, Y AF Libourel, Igor G. L. Gehan, Jackson P. Shachar-Hill, Yair TI Design of substrate label for steady state flux measurements in plant systems using the metabolic network of Brassica napus embryos SO PHYTOCHEMISTRY LA English DT Article DE metabolic flux analysis; optimal design; Brassica napus; C-13 labeling ID BIDIRECTIONAL REACTION STEPS; ISOTOPOMER MAPPING MATRICES; STATISTICAL-ANALYSIS; EFFICIENCY AB Steady state metabolic flux analysis using C-13 labeled substrates is of growing importance in plant physiology and metabolic engineering. The quality of the flux estimates in C-13 metabolic flux analysis depend on the: (i) network structure; (ii) flux values; (iii) design of the labeling substrate; and (iv) label measurements performed. Whereas the first two parameters are facts of nature, the latter two are to some extent controlled by the experimenter, yet they have received little attention in most plant studies. Using the metabolic flux map of developing Brassica napus (Rapeseed) embryos, this study explores the value of optimal substrate label designs obtained with different statistical criteria and addresses the applicability of different optimal designs to biological questions. The results demonstrate the value of optimizing the choice of labeled substrates and show that substrate combinations commonly used in bacterial studies can be far from optimal for mapping fluxes in plant systems. The value of performing additional experiments and the, inclusion of measurements is also evaluated. (C) 2007 Elsevier Ltd. All rights reserved. C1 Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Libourel, IGL (reprint author), Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. EM libourel@msu.edu RI Shachar-Hill, Yair/B-6165-2013 OI Shachar-Hill, Yair/0000-0001-8793-5084 NR 22 TC 32 Z9 32 U1 0 U2 6 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0031-9422 J9 PHYTOCHEMISTRY JI Phytochemistry PD AUG-SEP PY 2007 VL 68 IS 16-18 BP 2211 EP 2221 DI 10.1016/j.phytochem.2007.04.033 PG 11 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA 211QT UT WOS:000249539100009 PM 17568637 ER PT J AU Junker, BH Lonien, J Heady, LE Rogers, A Schwender, J AF Junker, Bjoern H. Lonien, Joachim Heady, Lindsey E. Rogers, Alistair Schwender, Joerg TI Parallel determination of enzyme activities and in vivo fluxes in Brassica napus embryos grown on organic or inorganic nitrogen source SO PHYTOCHEMISTRY LA English DT Article DE Brassica napus; central metabolism; enzyme activity profiling; metabolic flux analysis ID OILSEED RAPE; ARABIDOPSIS-THALIANA; GENE-EXPRESSION; METABOLISM; PLANT; INTEGRATION; NETWORKS; STORAGE; CYCLE; TRANSCRIPTOMICS AB After the completion of the genomic sequencing of model organisms, numerous post-genomic studies, integrating transcriptome and metabolome data, are aimed at developing a more complete understanding of cell physiology. Here, we measure in vivo metabolic fluxes by steady state labeling, and in parallel, the activity of enzymes in central metabolism in cultured developing embryos of Brassica napus. Embryos were grown on either the amino acids glutamine and alanine as an organic nitrogen source, or on ammonium nitrate as an inorganic nitrogen source. The type of nitrogen made available to developing embryos caused substantial differences in fluxes associated with the tricarboxylic acid cycle, including flux reversion. The changes observed in enzyme activity were not consistent with our estimates of metabolic flux. Furthermore, most extractable enzyme activities are in large surplus relative to the requirements for the observed in vivo fluxes. The results demonstrate that in this model system the metabolic response of central metabolism to changes in environmental conditions can be achieved largely without regulatory reprogramming of the enzyme machinery. (C) 2007 Elsevier Ltd. All rights reserved. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. RP Schwender, J (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM schwender@bnl.gov RI Rogers, Alistair/E-1177-2011; Schwender, Jorg/P-2282-2014 OI Rogers, Alistair/0000-0001-9262-7430; Schwender, Jorg/0000-0003-1350-4171 NR 36 TC 69 Z9 70 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0031-9422 J9 PHYTOCHEMISTRY JI Phytochemistry PD AUG-SEP PY 2007 VL 68 IS 16-18 BP 2232 EP 2242 DI 10.1016/j.phytochem.2007.03.032 PG 11 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA 211QT UT WOS:000249539100011 PM 17509628 ER PT J AU Candy, J Waltz, RE Fahey, MR Holland, C AF Candy, J. Waltz, R. E. Fahey, M. R. Holland, C. TI The effect of ion-scale dynamics on electron-temperature-gradient turbulence SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article ID SIMULATIONS; TRANSPORT; MICROTURBULENCE AB This work reports on numerical studies of small-scale electron-temperature-gradient (ETG) turbulence embedded in large-scale turbulence driven by both ion-temperature-gradient (ITG) modes and trapped-electron modes. To begin with, we find that the simplified adiabatic-ion model of ETG turbulence does not always saturate nonlinearly, suggesting that corrections to the purely adiabatic ion response are required for robust saturation. Our results also qualitatively confirm a prediction of Holland and Diamond that the back-reaction of ETG on ITG turbulence is insignificant. For the parameters studied, we find that ETG turbulence levels are reduced as ion driving gradients are increased. This result is at least partially explained by linear physics. An important practical result of this work is the finding that most of the electron energy transport arises from ion scales (k(theta)p(i) < 1) in cases for which ion-scale instabilities are not suppressed. Specifically, for the Cyclone base case parameters, only 16% of the energy diffusivity, X,, arises from the spectral region k(theta)p(i) > 1.0. C1 Gen Atom Co, San Diego, CA 92186 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. RP Candy, J (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM candy@fusion.gat.com NR 18 TC 40 Z9 40 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2007 VL 49 IS 8 BP 1209 EP 1220 DI 10.1088/0741-3335/49/8/008 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 205PA UT WOS:000249125900010 ER PT J AU Delgado-Aparicio, LF Stutman, D Tritz, K Finkenthal, M Bell, R Gates, D Kaita, R Leblanc, B Maingi, R Yuh, H Levinton, F Heidbrink, W AF Delgado-Aparicio, L. F. Stutman, D. Tritz, K. Finkenthal, M. Bell, R. Gates, D. Kaita, R. Leblanc, B. Maingi, R. Yuh, H. Levinton, F. Heidbrink, W. TI A 'multi-colour' SXR diagnostic for time and space-resolved measurements of electron temperature, MHD activity and particle transport in MU plasmas SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article ID RESOLUTION AB A fast (<= 0.1 ms) and compact 'multi-colour' soft x-ray array has been developed for time and space-resolved electron temperature (T-e) measurements in magnetically confined fusion (MCF) plasmas. The electron temperature is obtained by modelling the slope of the continuum radiation from ratios of the available 1D-Abel inverted radial emissivity profiles over different energy ranges, with no a priori assumptions of plasma profiles, magnetic field reconstruction constraints or need of shot-to-shot reproducibility. This technique has been used to perform fast T-e measurements in the National Spherical Torus Experiment (NSTX), avoiding the limitations imposed by the well-known multi-point Thompson scattering, electron cyclotron emission and electron Bernstein wave mode conversion diagnostics. The applicability of this 'multi-colour' technique for magnetohydrodynamic,(MHD) mode recognition and a variety of perturbative electron and impurity transport studies in MCF plasmas is also discussed. Reconstructed 'multi-colour' emissivity profiles for a, variety of NSTX scenarios are presented here for the first time. C1 Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Oak Ridge Natl Lab, UT Battelle, Oak Ridge, TN 37831 USA. Nova Photon Inc, Princeton, NJ 08540 USA. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. RP Delgado-Aparicio, LF (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. EM delgapa@pha.jhu.edu RI Stutman, Dan/P-4048-2015 NR 21 TC 15 Z9 15 U1 0 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD AUG PY 2007 VL 49 IS 8 BP 1245 EP 1257 DI 10.1088/0741-3335/49/8/010 PG 13 WC Physics, Fluids & Plasmas SC Physics GA 205PA UT WOS:000249125900012 ER PT J AU Costes, SV Ponomarev, A Chen, JL Nguyen, D Cucinotta, FA Barcellos-Hoff, MH AF Costes, Sylvain V. Ponomarev, Artem Chen, James L. Nguyen, David Cucinotta, Francis A. Barcellos-Hoff, Mary Helen TI Image-based modeling reveals dynamic redistribution of DNA damage into nuclear sub-domains SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID DOUBLE-STRAND BREAKS; PHOSPHORYLATED HISTONE H2AX; HIGH-LET; SIGNALING PATHWAYS; CELLULAR-RESPONSE; SIZE-DISTRIBUTION; MAMMALIAN-CELLS; PARTICLE TRACKS; RADIATION; FOCI AB Several proteins involved in the response to DNA double strand breaks ( DSB) form microscopically visible nuclear domains, or foci, after exposure to ionizing radiation. Radiation- induced foci ( RIF) are believed to be located where DNA damage occurs. To test this assumption, we analyzed the spatial distribution of 53BP1, phosphorylated ATM, and gamma H2AX RIF in cells irradiated with high linear energy transfer ( LET) radiation and low LET. Since energy is randomly deposited along high- LET particle paths, RIF along these paths should also be randomly distributed. The probability to induce DSB can be derived from DNA fragment data measured experimentally by pulsed- field gel electrophoresis. We used this probability in Monte Carlo simulations to predict DSB locations in synthetic nuclei geometrically described by a complete set of human chromosomes, taking into account microscope optics from real experiments. As expected, simulations produced DNA- weighted random ( Poisson) distributions. In contrast, the distributions of RIF obtained as early as 5 min after exposure to high LET ( 1 GeV/ amu Fe) were non- random. This deviation from the expected DNA- weighted random pattern can be further characterized by " relative DNA image measurements.'' This novel imaging approach shows that RIF were located preferentially at the interface between high and low DNA density regions, and were more frequent than predicted in regions with lower DNA density. The same preferential nuclear location was also measured for RIF induced by 1 Gy of low- LET radiation. This deviation from random behavior was evident only 5 min after irradiation for phosphorylated ATM RIF, while gamma H2AX and 53BP1 RIF showed pronounced deviations up to 30 min after exposure. These data suggest that DNA damage - induced foci are restricted to certain regions of the nucleus of human epithelial cells. It is possible that DNA lesions are collected in these nuclear sub- domains for more efficient repair. C1 Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. NASA, Lyndon B Johnson Space Ctr, Houston, TX 77058 USA. Univ Space Res Assoc, Houston, TX USA. RP Costes, SV (reprint author), Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. EM svcostes@lbl.gov RI Costes, Sylvain/D-2522-2013 OI Costes, Sylvain/0000-0002-8542-2389 NR 44 TC 61 Z9 62 U1 1 U2 2 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1553-734X EI 1553-7358 J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD AUG PY 2007 VL 3 IS 8 BP 1477 EP 1488 AR e155 DI 10.1371/journal.pcbi.0030155 PG 12 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA 214VU UT WOS:000249767100008 PM 17676951 ER PT J AU Brumme, ZL Brumme, CJ Heckerman, D Korber, BT Daniels, M Carlson, J Kadie, C Bhattacharya, T Chui, C Szinger, J Mo, T Hogg, RS Montaner, JSG Frahm, N Brander, C Walker, BD Harrigan, PR AF Brumme, Zabrina L. Brumme, Chanson J. Heckerman, David Korber, Bette T. Daniels, Marcus Carlson, Jonathan Kadie, Carl Bhattacharya, Tanmoy Chui, Celia Szinger, James Mo, Theresa Hogg, Robert S. Montaner, Julio S. G. Frahm, Nicole Brander, Christian Walker, Bruce D. Harrigan, P. Richard TI Evidence of differential HLA class I-Mediated viral evolution in functional and Accessory/Regulatory genes of HIV-1 (Vol 3, art no e94, 2007) SO PLOS PATHOGENS LA English DT Correction C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Santa Fe Inst, Santa Fe, NM 87501 USA. RP Brumme, ZL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Hogg, Robert/B-2783-2012; Bhattacharya, Tanmoy/J-8956-2013 OI Bhattacharya, Tanmoy/0000-0002-1060-652X NR 1 TC 1 Z9 2 U1 0 U2 1 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1553-7366 J9 PLOS PATHOG JI PLoS Pathog. PD AUG PY 2007 VL 3 IS 8 BP 1187 EP 1187 AR e121 DI 10.1371/journal.ppat.0030121 PG 1 WC Microbiology; Parasitology; Virology SC Microbiology; Parasitology; Virology GA 214WF UT WOS:000249768200016 ER PT J AU Nagle, DJ Celina, M Rintoul, L Fredericks, PM AF Nagle, Dylan J. Celina, Mathew Rintoul, Llewellyn Fredericks, Peter M. TI Infrared microspectroscopic study of the thermo-oxidative degradation of hydroxy-terminated polybutadiene/isophorone diisocyanate polyurethane rubber SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE polyurethane; butadiene; FTIR; microspectroscopy; oxidation ID DIFFUSION-LIMITED OXIDATION; FOURIER-TRANSFORM RAMAN; SEGMENTED POLYURETHANES; PHOTOCHEMICAL BEHAVIOR; THERMAL-DEGRADATION; PROPELLANT BINDER; THEORETICAL-MODEL; OXYGEN DIFFUSION; HTPB ELASTOMER; SOFT SEGMENT AB Hydroxy-terminated polybutadiene/isophorone diisocyanate (HTPB/IPDI) polyurethane rubber which was aged in air at elevated temperatures has been studied by infrared microspectroscopy. Spectra were collected in transmission mode on microtomed samples. Analysis of sets of spectra taken across the sectioned material showed that most of the degradation occurred in the polybutadiene part of the polymer and that the urethane linkage was essentially unchanged. The trans isomer of the polybutadiene appears to be preferentially degraded compared with the vinyl isomer. The IR technique does not provide significant information about the cis isomer. The IR spectra indicated that likely degradation products included acids, esters, alcohols, and small amounts of other products containing a carbonyl functional group. Band area ratios, supported by a principal components analysis, were used to derive degradation profiles for the material. These profiles were steep-sided indicating an oxygen diffusion limited process. (c) 2007 Elsevier Ltd. All rights reserved. C1 Queesland Univ Technol, Sch Phys & Chem Sci, Brisbane, Qld 4001, Australia. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Fredericks, PM (reprint author), Queesland Univ Technol, Sch Phys & Chem Sci, 2 George St,GPO Box 2434, Brisbane, Qld 4001, Australia. EM p.fredericks@qut.edu.au NR 45 TC 33 Z9 37 U1 2 U2 44 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2007 VL 92 IS 8 BP 1446 EP 1454 DI 10.1016/j.polymdegradstab.2007.05.010 PG 9 WC Polymer Science SC Polymer Science GA 207EL UT WOS:000249234300004 ER PT J AU Urgun-Demirtas, M Singh, D Pagilla, K AF Urgun-Demirtas, Meltem Singh, Dileep Pagilla, Krishna TI Laboratory investigation of biodegradability of a polyurethane foam under anaerobic conditions SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE polyurethane; biodegradation; anaerobic conditions; landfill applications ID IN-VIVO BIOSTABILITY; POLYESTER POLYURETHANE; POLYETHER POLYURETHANES; GAS ENHANCEMENT; DEGRADATION; DETERIORATION; WASTE; HYDROLYSIS; BACTERIA; RANGE AB Polyurethane (PU) foams can be used in many remediation applications as an isolation material to prevent the release of hazardous materials into the environment. The integrity of a PU foam was investigated in this study using short-term accelerated laboratory experiments including bioavailability assays, soil burial experiments, and accelerated bioreactors to determine the fate of PU foam in the soil where anaerobic processes are dominant. The experimental results have shown that the studied PU foam is likely not biodegradable under anaerobic conditions. Neither weight loss nor a change in the tensile strength of the PU material after biological exposure was observed. The FT-IR chemical signature of the PU foams was also nearly identical before and after biological exposure. The composition of the PU material (aromatic polyester and polyether PU) used in this study could have played a significant role in its resistance to microbial attack during the short-term accelerated experiments. (c) 2007 Elsevier Ltd. All rights reserved. C1 IIT, Dept Civil Environm & Architectural Engn, Chicago, IL 60616 USA. Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Pagilla, K (reprint author), IIT, Dept Civil Environm & Architectural Engn, 10 W 33rd St, Chicago, IL 60616 USA. EM pagilla@iit.edu RI Pagilla, Krishna/K-9254-2013 NR 43 TC 23 Z9 25 U1 1 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2007 VL 92 IS 8 BP 1599 EP 1610 DI 10.1016/j.polymdegradstab.2007.04.013 PG 12 WC Polymer Science SC Polymer Science GA 207EL UT WOS:000249234300021 ER PT J AU Sloan, D Fiveiand, W Zitney, SE Osawe, M AF Sloan, David Fiveiand, Woody Zitney, Stephen E. Osawe, Maxwell TI Integrating plant and equipment models SO POWER LA English DT Editorial Material C1 Alstom Power Inc, Windsor, CT 06095 USA. US DOE, Natl Energy Technol Lab, Washington, DC 20585 USA. Ansys Inc, Canonsburg, PA 15317 USA. RP Sloan, D (reprint author), Alstom Power Inc, Windsor, CT 06095 USA. EM woodyfiveland@poweralstom.com NR 0 TC 0 Z9 0 U1 0 U2 0 PU TRADEFAIR GROUP PI HOUSTON PA 11000 RICHMOND, STE 500, HOUSTON, TX 77042 USA SN 0032-5929 J9 POWER JI Power PD AUG PY 2007 VL 151 IS 8 BP 20 EP + PG 3 WC Energy & Fuels SC Energy & Fuels GA 206NK UT WOS:000249190000013 ER PT J AU Biedron, SG Lewellen, JW Milton, SV Gopalsami, N Schneider, JF Skubal, L Li, YL Virgo, M Gallerano, GP Doria, A Giovenale, E Messina, G Spassovsky, IP AF Biedron, Sandra G. Lewellen, John W. Milton, Stephen Val Gopalsami, Nachappa Schneider, John F. Skubal, Laura Li, Yuelin Virgo, Mathew Gallerano, Gian Piero Doria, Andrea Giovenale, Emilio Messina, Giovanni Spassovsky, Ivan Panov TI Compact, high-power electron beam based terahertz sources SO PROCEEDINGS OF THE IEEE LA English DT Article DE bunching; coherent radiation; electron beam; free-electron laser; intense particle beams; radiation sources; terahertz ID COHERENT SYNCHROTRON-RADIATION; ENERGY-PHASE CORRELATION; LASER-DRIVEN; FEL; EMISSION; MILLIMETER; MICROTRON AB Although terahertz (THz) radiation was first observed about 100 years ago, this portion of the electromagnetic spectrum at the boundary between the microwaves and the infrared has been, for a long time, rather poorly explored. This situation changed with the rapid development of coherent THz sources such as solid-state oscillators, quantum cascade lasers, optically pumped solid-state devices, and novel coherent radiator devices. These in turn have stimulated a wide variety of applications from material science to telecommunications, from biology to biomedicine. Recently, there have been two related compact coherent radiation devices invented able to produce up to megawatts of peak THz power by inducing a ballistic bunching effect on the electron beam, forcing the beam to radiate coherently. An introduction to the two systems and the corresponding output photon beam characteristics will be provided. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Maryland, College Pk, MD 20742 USA. Ctr Ric Frascati, Dipartimento Tecnol Fis & Nuovi Mat, Frascati 00044, Italy. RP Biedron, SG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM biedron@anl.gov NR 41 TC 16 Z9 16 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9219 J9 P IEEE JI Proc. IEEE PD AUG PY 2007 VL 95 IS 8 BP 1666 EP 1678 DI 10.1109/JPROC.2007.898858 PG 13 WC Engineering, Electrical & Electronic SC Engineering GA 221GJ UT WOS:000250215100016 ER PT J AU Sabau, AS Hatfield, EC AF Sabau, A. S. Hatfield, E. C. TI Measurement of heat flux and heat transfer coefficient due to spray application for the die casting process SO PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART B-JOURNAL OF ENGINEERING MANUFACTURE LA English DT Article DE die casting; die lubrication; heat flux sensor; heat flux measurement; spray cooling; heat transfer ID SENSOR; WATER AB Lubricant spray application experiments were conducted for the die casting process. The heat flux was measured in situ using a differential thermopile sensor for three application techniques. First, the lubricant was applied under a constant flowrate while the nozzle was held in the same position. Second, the lubricant was applied in a pulsed, static manner, in which the nozzle was held over the same surface while it was turned on and off several times. Third, the lubricant was applied in a sweeping manner, in which the nozzle was moved along the die surface while it was held open. The experiments were conducted at several die temperatures and at sweep speeds of 20, 23, and 68 cm/s. The heat flux data, which were obtained with a sensor that was located in the centre of the test plate, were presented and discussed. The sensor can be used to evaluate lubricants, monitor the consistency of die lubrication process, and obtain useful process data, such as surface temperature, heat flux, and heat transfer coefficients. The heat removed from the die surface during lubricant application is necessary for (a) designing the cooling channels in the die, i.e. their size and placement, and (b) performing accurate numerical simulations of the die casting process. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Sabau, AS (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Bldg 4508, Oak Ridge, TN 37831 USA. EM sabaua@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 NR 12 TC 3 Z9 3 U1 0 U2 5 PU PROFESSIONAL ENGINEERING PUBLISHING LTD PI WESTMINISTER PA 1 BIRDCAGE WALK, WESTMINISTER SW1H 9JJ, ENGLAND SN 0954-4054 J9 P I MECH ENG B-J ENG JI Proc. Inst. Mech. Eng. Part B-J. Eng. Manuf. PD AUG PY 2007 VL 221 IS 8 BP 1307 EP 1316 DI 10.1243/09544054JEM690 PG 10 WC Engineering, Manufacturing; Engineering, Mechanical SC Engineering GA 216SP UT WOS:000249899600004 ER PT J AU Green, MA Emery, K Hisikawa, Y Warta, W AF Green, Martin A. Emery, Keith Hisikawa, Yoshihiro Warta, Wilhelm TI Solar cell efficiency tables (Version 30) SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE solar cell efficiency; photovoltaic efficiency; energy conversion efficiency ID 20-PERCENT EFFICIENCY; MULTICRYSTALLINE AB Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined and new entries since January 2007 are reviewed. Copyright (C) 2007 John Wiley & Sons, Ltd. C1 Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. Natl Renewable Energy Lab, Golden, CO 80401 USA. Natl Inst Adv Ind Sci & Technol, Res Ctr Photovolta, Tsukuba, Ibaraki, Japan. Fraunhofer Inst Solar Energy Syst, Dept Solar Cells Mat & Technol, D-79110 Freiburg, Germany. RP Green, MA (reprint author), Univ New S Wales, ARC Photovolta Ctr Excellence, Sydney, NSW 2052, Australia. EM m.green@unsw.edu.au NR 49 TC 93 Z9 94 U1 4 U2 24 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2007 VL 15 IS 5 BP 425 EP 430 DI 10.1002/pip.781 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 195GJ UT WOS:000248400200005 ER PT J AU Souers, PC Vitello, P AF Souers, P. Clark Vitello, Peter TI Initiation pressure thresholds from three sources SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article AB Pressure thresholds are minimum pressures needed to start explosive initiation that ends in detonation. We obtain pressure thresholds from three sources. Run-to-detonation times are the poorest source but the fitting of a function gives rough results. Flyer-induced initiation gives the best results because the initial conditions are the best known. However, very thick flyers are needed to give the lowest, asymptotic pressure thresholds used in modern models and this kind of data is rarely available. Gap test data are in much larger supply but the various test sizes and materials are confusing. We find that explosive pressures are almost the same if the distance in the gap test spacers are in units of donor explosive radius. Calculated half-width time pulses in the spacers may be used to create a pressure-time curve similar to that of the flyers. The very-large Eglin gap tests give asymptotic thresholds comparable to extrapolated flyer results. The three sources are assembled into a much-expanded set of near-asymptotic pressure thresholds. These thresholds vary greatly with density: for TATB/LX-17/PBX 9502, we find values of 4.9 and 8.7 GPa at 1.80 and 1.90 g/cm(3), respectively. C1 Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Souers, PC (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. NR 38 TC 5 Z9 5 U1 1 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0721-3115 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD AUG PY 2007 VL 32 IS 4 BP 288 EP 295 DI 10.1002/prep.200700030 PG 8 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA 208XI UT WOS:000249352100003 ER PT J AU Rubenchik, AM AF Rubenchik, Alexander M. TI On the initiation of high explosives by laser radiation SO PROPELLANTS EXPLOSIVES PYROTECHNICS LA English DT Article DE Heat transport; high explosive; laser initiation; thermal explosion; TNT AB The problem of laser initiation of high explosives in munitions is considered. In this situation, the laser illuminates a small spot on the casing, and lateral thermal transport affects the initiation temperature. We use a variational method to calculate the critical temperature for explosives' initiation as a function of the laser spot size for common high explosives. The effect of the dwelling time of the irradiation is then evaluated. We demonstrate that in typical situations the critical temperature is determined by the dwelling time rather than by the laser spot size. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Rubenchik, AM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM rubenchik1@llnl.gov NR 8 TC 12 Z9 13 U1 2 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0721-3115 J9 PROPELL EXPLOS PYROT JI Propellants Explos. Pyrotech. PD AUG PY 2007 VL 32 IS 4 BP 296 EP 300 DI 10.1002/prep.200700031 PG 5 WC Chemistry, Applied; Engineering, Chemical SC Chemistry; Engineering GA 208XI UT WOS:000249352100004 ER PT J AU Goldschmidt, L Cooper, DR Derewenda, ZS Eisenberg, D AF Goldschmidt, Lukasz Cooper, David R. Derewenda, Zygmunt S. Eisenberg, David TI Toward rational protein crystallization: A Web server for the design of crystallizable protein variants SO PROTEIN SCIENCE LA English DT Article DE crystallography; SER variants; sequence replacements; surface entropy reduction (SER); X-ray methods ID ANGSTROM RESOLUTION; SECONDARY STRUCTURE; BACILLUS-SUBTILIS; STRUCTURAL BASIS; GENE-PRODUCT; RECOGNITION; MECHANISM; RESIDUES; DATABASE; ENTROPY AB Growing well-diffracting crystals constitutes a serious bottleneck in structural biology. A recently proposed crystallization methodology for "stubborn crystallizers'' is to engineer surface sequence variants designed to form intermolecular contacts that could support a crystal lattice. This approach relies on the concept of surface entropy reduction (SER), i. e., the replacement of clusters of flexible, solvent-exposed residues with residues with lower conformational entropy. This strategy minimizes the loss of conformational entropy upon crystallization and renders crystallization thermodynamically favorable. The method has been successfully used to crystallize more than 15 novel proteins, all stubborn crystallizers. But the choice of suitable sites for mutagenesis is not trivial. Herein, we announce a Web server, the surface entropy reduction prediction server (SERp server), designed to identify mutations that may facilitate crystallization. Suggested mutations are predicted based on an algorithm incorporating a conformational entropy profile, a secondary structure prediction, and sequence conservation. Minor considerations include the nature of flanking residues and gaps between mutation candidates. While designed to be used with default values, the server has many user- controlled parameters allowing for considerable flexibility. Within, we discuss (1) the methodology of the server, (2) how to interpret the results, and (3) factors that must be considered when selecting mutations. We also attempt to benchmark the server by comparing the server's predictions with successful SER structures. In most cases, the structure yielding mutations were easily identified by the SERp server. The server can be accessed at http://www.doe-mbi.ucla.edu/Services/SER. C1 Univ Calif Los Angeles, Howard Hughes Med Inst, Inst Genom & Proteom, DOE, Los Angeles, CA 90095 USA. Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA. RP Eisenberg, D (reprint author), Univ Calif Los Angeles, Howard Hughes Med Inst, Inst Genom & Proteom, DOE, 611 Charles E Young Dr E,Boyer 105, Los Angeles, CA 90095 USA. EM david@mbi.ucla.edu NR 27 TC 122 Z9 125 U1 3 U2 23 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0961-8368 J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2007 VL 16 IS 8 BP 1569 EP 1576 DI 10.1110/ps.072914007 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 194RD UT WOS:000248360600006 PM 17656576 ER PT J AU Bordner, AJ Gorin, AA AF Bordner, Andrew J. Gorin, Andrey A. TI Protein docking using surface matching and supervised machine learning SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article DE Random Forest; evolutionary conservation; contacting residues; residue propensities; shape complementarity; protein complexes ID SHAPE COMPLEMENTARITY; AMINO-ACID; INTERFACES; COMPLEXES; ALGORITHM; DISCRIMINATION; OPTIMIZATION; RECOGNITION; SPECIFICITY; ASSEMBLIES AB Computational prediction of protein complex structures through docking offers a means to gain a mechanistic understanding of protein interactions that mediate biological processes. This is particularly important as the number of experimentally determined structures of isolated proteins exceeds the number of structures of complexes. A comprehensive docking procedure is described in which efficient sampling of conformations is achieved by matching surface normal vectors, fast filtering for shape complementarity, clustering by RMSD, and scoring the docked conformations using a supervised machine learning approach. Contacting residue pair frequencies, residue propensities, evolutionary conservation, and shape complementarity score for each docking conformation are used as input data to a Random Forest classifier. The performance of the Random Forest approach for selecting correctly docked conformations was assessed by cross-validation using a nonredundant benchmark set of X-ray structures for 93 heterodimer and 733 homodimer complexes. The single highest rank docking solution was the correct (near-native) structure for slightly more than one third of the complexes. Furthermore, the fraction of highly ranked correct structures was significantly higher than the overall fraction of correct structures, for almost all complexes. A detailed analysis of the difficult to predict complexes revealed that the majority of the homodimer cases were explained by incorrect oligomeric state annotation. Evolutionary conservation and shape complementarity score as well as both underrepresented and overrepresented residue types and residue pairs were found to make the largest contributions to the overall prediction accuracy. Finally, the method was also applied to docking unbound subunit structures from a previously published benchmark set. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Bordner, AJ (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008,MS 6173, Oak Ridge, TN 37831 USA. EM bordner@ornl.gov; agor@ornl.gov RI Gorin, Andrey/B-1545-2014 NR 52 TC 18 Z9 18 U1 1 U2 5 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-3585 J9 PROTEINS JI Proteins PD AUG 1 PY 2007 VL 68 IS 2 BP 488 EP 502 DI 10.1002/prot.21406 PG 15 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 179IX UT WOS:000247284100006 PM 17444516 ER PT J AU Pecharsky, VK Gschneidner, KA AF Pecharsky, V. K. Gschneidner, K. A., Jr. TI Structure, magnetism, and thermodynamics of the novel rare earth-based R5T4 intermetallics SO PURE AND APPLIED CHEMISTRY LA English DT Article; Proceedings Paper CT 19th Annual Meeting of the International-Association-of-Chemical-Thermodynamics CY JUL 30-AUG 04, 2006 CL Boulder, CO SP Int Assoc Chem Thermodynam DE intermetallic compounds; crystal structures; phase relationships; magnetic properties; experimental thermodynamic properties; structure-property relationships ID 1ST-ORDER MAGNETOSTRUCTURAL TRANSITION; CRYSTAL-STRUCTURE; PHASE-RELATIONSHIPS; ELECTRONIC-STRUCTURE; GD-5(SIXGE1-X)(4) SYSTEM; GIANT MAGNETORESISTANCE; ELECTRICAL-RESISTANCE; SILICON COMPOUNDS; ALLOYS; GD-5(SI2GE2) AB After approximately 30 years of dormancy, the binary, ternary, and multicomponent intermetallic compounds of rare earth metals (R) with the group 14 elements (T) at the R5T4 stoichiometry have become a goldmine for materials science, condensed matter physics, and solid-state chemistry. In addition to providing numerous opportunities to clarify elusive structure-property relationships, the R5T4 compounds may soon be developed into practical materials by exploiting their unique sensitivity toward a variety of chemical and physical triggers. The distinctiveness of this series is in the remarkable flexibility of the chemical bonding between well-defined, self-assembled, subnanometer-thick slabs and the resultant magnetic, transport, and thermodynamic properties of the R5T4 compounds that can be controlled by varying either or both R and T, including mixed rare earth elements on the R-sites and different group 14 (and 13 or 15) elements occupying the T-sites. In addition to chemical means, the interslab interactions are tunable by temperature, pressure, and magnetic field. Presently, a substantial, yet far from complete, body of knowledge exists about the Gd compounds with T = Si and Ge. In contrast. only a little is known about the physics and chemistry of R5T4 alloys with other lanthanides, while compounds with T = Sn and Pb remain virtually unexplored. C1 US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Pecharsky, VK (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. NR 119 TC 52 Z9 52 U1 2 U2 16 PU INT UNION PURE APPLIED CHEMISTRY PI RES TRIANGLE PK PA 104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USA SN 0033-4545 J9 PURE APPL CHEM JI Pure Appl. Chem. PD AUG PY 2007 VL 79 IS 8 BP 1383 EP 1402 DI 10.1351/pac200779081383 PG 20 WC Chemistry, Multidisciplinary SC Chemistry GA 195DE UT WOS:000248391900005 ER PT J AU Prausnitz, J Foose, L AF Prausnitz, John Foose, Loddie TI Three frontiers in the thermodynamics of protein solutions SO PURE AND APPLIED CHEMISTRY LA English DT Article; Proceedings Paper CT 19th Annual Meeting of the International-Association-of-Chemical-Thermodynamics CY JUL 30-AUG 04, 2006 CL Boulder, CO SP Int Assoc Chem Thermodynam DE proteins; crystallization; phase diagrams; calorimetry; HIV-protease inhibitors ID SALT; CRYSTALLIZATION; INSULIN AB Three examples illustrate the versatility and usefulness of biothermodynamics. The first example concerns calculation of a phase diagram for aqueous lysozyme with a new potential of mean force that takes the Hofmeister effect into account; such calculations may be useful for design of a separation process where addition of a salt to an aqueous protein mixture precipitates a target protein. The second example concerns thermodynamic studies to elucidate the effect of an organic cosolvent on the mechanism of crystallizing aqueous insulin. The final example concerns a thermodynamic contribution to mitigating the AIDS epidemic; it indicates how isothermal-titration-calorimetry studies are helpful for choosing an optimum inhibitor that is effective not only for the wild-type HIV protease but also for at least some of its mutants. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Prausnitz, J (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. NR 8 TC 13 Z9 13 U1 3 U2 13 PU INT UNION PURE APPLIED CHEMISTRY PI RES TRIANGLE PK PA 104 TW ALEXANDER DR, PO BOX 13757, RES TRIANGLE PK, NC 27709-3757 USA SN 0033-4545 J9 PURE APPL CHEM JI Pure Appl. Chem. PD AUG PY 2007 VL 79 IS 8 BP 1435 EP 1444 DI 10.1351/pac200779081435 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 195DE UT WOS:000248391900008 ER PT J AU Liang, L Anderson-Cook, CM Robinson, TJ AF Liang, Li Anderson-Cook, Christine M. Robinson, Timothy J. TI Cost-penalized estimation and prediction evaluation for split-plot designs SO QUALITY AND RELIABILITY ENGINEERING INTERNATIONAL LA English DT Article DE restricted randomization; optimality criteria; scaled prediction variance; cost-based comparisons ID RESPONSE-SURFACE DESIGNS; OPTIMIZATION; VARIABLES; FRACTION; SPACE AB Comparisons between different designs have traditionally focused on balancing the quality of estimation or prediction relative to the overall size of the design. For split-plot designs with two levels of randomization, the total number of observations may not accurately summarize the true cost of the experiment, because different costs are likely associated with setting up the whole and subplot levels. In this paper, we present several flexible measures for design assessment based on D-, G- and V-optimality criteria that take into account potentially different cost structures for the split-plot designs. The new measures are illustrated with two examples: a 23 factorial experiment for first-order models, where all possible designs are considered, and selective designs for a three-factor second-order model. Copyright (C) 2006 John Wiley & Sons, Ltd. C1 Virginia Polytech Inst & State Univ, Blacksburg, VA 24060 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Wyoming, Laramie, WY 82071 USA. RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663, Los Alamos, NM 87545 USA. EM c-and-cook@lanl.gov NR 31 TC 5 Z9 5 U1 1 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0748-8017 J9 QUAL RELIAB ENG INT JI Qual. Reliab. Eng. Int. PD AUG PY 2007 VL 23 IS 5 BP 577 EP 596 DI 10.1002/qre.835 PG 20 WC Engineering, Multidisciplinary; Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA 198KB UT WOS:000248625900006 ER PT J AU Putnam, CD Hammel, M Hura, GL Tainer, JA AF Putnam, Christopher D. Hammel, Michal Hura, Greg L. Tainer, John A. TI X-ray solution scattering (SAXS) combined with crystallography and computation: defining accurate macromolecular structures, conformations and assemblies in solution SO QUARTERLY REVIEWS OF BIOPHYSICS LA English DT Review ID SMALL-ANGLE SCATTERING; PROTEIN-PROTEIN INTERACTIONS; INDIRECT FOURIER TRANSFORMATION; PHOSPHOLIPID-BILAYER NANODISCS; MOLECULAR-DYNAMICS SIMULATIONS; ELASTIC DEFORMATIONAL MODEL; CU,ZN SUPEROXIDE-DISMUTASE; RESIDUAL DIPOLAR COUPLINGS; DIRECT SHAPE DETERMINATION; ESCHERICHIA-COLI RIBOSOME AB Crystallography supplies unparalleled detail on structural information critical for mechanistic analyses; however, it is restricted to describing low energy conformations of macromolecules within crystal lattices. Small angle X-ray scattering (SAXS) offers complementary information about macromolecular folding, unfolding, aggregation, extended conformations, flexibly linked domains, shape, conformation, and assembly state in solution, albeit at the lower resolution range of about 50 A to 10 A resolution, but without the size limitations inherent in NMR and electron microscopy studies. Together these techniques can allow multi-scale modeling to create complete and accurate images of macromolecules for modeling allosteric mechanisms, supramolecular complexes, and dynamic molecular machines acting in diverse processes ranging from eukaryotic DNA replication, recombination and repair to microbial membrane secretion and assembly systems. This review addresses both theoretical and practical concepts, concerns and considerations for using these techniques in conjunction with computational methods to productively combine solution scattering data with high-resolution structures. Detailed aspects of SAXS experimental results are considered with a focus on data interpretation tools suitable to model protein and nucleic acid macromolecular structures, including membrane protein, RNA, DNA, and protein-nucleic acid complexes. The methods discussed provide the basis to examine molecular interactions in solution and to study macromolecular flexibility and conformational changes that have become increasingly relevant for accurate understanding, simulation, and prediction of mechanisms in structural cell biology and nanotechnology. C1 [Hura, Greg L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Putnam, Christopher D.] Ludwig Inst Canc Res, La Jolla, CA USA. [Hammel, Michal; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tainer, John A.] Scripps Res Inst, Dept Mol Biol MB4, La Jolla, CA 92037 USA. [Tainer, John A.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Hura, GL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM GLHura@lbl.gov; jat@scripps.edu FU NCI NIH HHS [CA 104660, CA 81967, CA 92584]; NIAID NIH HHS [AI 22160]; NIGMS NIH HHS [GM 46312] NR 355 TC 550 Z9 553 U1 34 U2 273 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0033-5835 EI 1469-8994 J9 Q REV BIOPHYS JI Q. Rev. Biophys. PD AUG PY 2007 VL 40 IS 3 BP 191 EP 285 DI 10.1017/S0033583507004635 PG 95 WC Biophysics SC Biophysics GA 254OB UT WOS:000252594800001 PM 18078545 ER PT J AU Belykh, SF Palitsin, VV Veryovkin, IV Kovarsky, AP Chang, RJH Adriaens, A Dowsett, MG Adams, F AF Belykh, S. F. Palitsin, V. V. Veryovkin, I. V. Kovarsky, A. P. Chang, R. J. H. Adriaens, A. Dowsett, M. G. Adams, F. TI New Cs sputter ion source with polyatomic ion beams for secondary ion mass spectrometry applications SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID CESIUM-SPUTTER; CLUSTER IONS; NEGATIVE-IONS; SIMS ANALYSIS; STATIC SIMS; BOMBARDMENT; C-60; PROJECTILES; SILICON; SAMPLE AB A simple design for a cesium sputter ion source compatible with vacuum and ion-optical systems as well as with electronics of the commercially available Cameca IMS-4f instrument is reported. This ion source has been tested with the cluster primary ions of Si-n(-) and Cu-n(-). Our experiments with surface characterization and depth profiling conducted to date demonstrate improvements of the analytical capabilities of the secondary ion mass spectrometry instrument due to the nonadditive enhancement of secondary ion emission and shorter ion ranges of polyatomic projectiles compared to atomic ones with the same impact energy. C1 Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. Univ Ghent, Dept Analyt Chem, B-9000 Ghent, Belgium. Univ Antwerp, Dept Chem, B-2610 Antwerp, Belgium. RP Belykh, SF (reprint author), Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. RI Adriaens, Annemie/F-2520-2013 OI Adriaens, Annemie/0000-0003-4034-1881 NR 46 TC 1 Z9 1 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 085101 DI 10.1063/1.2761021 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700044 PM 17764349 ER PT J AU Forsberg, J Duda, LC Olsson, A Schmitt, T Andersson, J Nordgren, J Hedberg, J Leygraf, C Aastrup, T Wallinder, D Guo, JH AF Forsberg, J. Duda, L.-C. Olsson, A. Schmitt, T. Andersson, J. Nordgren, J. Hedberg, J. Leygraf, C. Aastrup, T. Wallinder, D. Guo, J.-H. TI System for in situ studies of atmospheric corrosion of metal films using soft x-ray spectroscopy and quartz crystal microbalance SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SYNCHROTRON-RADIATION; COPPER; STATES AB We present a versatile chamber ("atmospheric corrosion cell") for soft x-ray absorption/emission spectroscopy of metal surfaces in a corrosive atmosphere allowing novel in situ electronic structure studies. Synchrotron x rays passing through a thin window separating the corrosion cell interior from a beamline vacuum chamber probe a metal film deposited on a quartz crystal microbalance (QCM) or on the inside of the window. We present some initial results on chloride induced corrosion of iron surfaces in humidified synthetic air. By simultaneous recording of QCM signal and soft x-ray emission from the corroding sample, correlation between mass changes and variations in spectral features is facilitated. (c) 2007 American Institute of Physics. C1 Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden. KTH, Div Corros Sci, SE-10044 Stockholm, Sweden. Attana AB, SE-11347 Stockholm, Sweden. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Forsberg, J (reprint author), Univ Uppsala, Dept Phys, Box 530, S-75121 Uppsala, Sweden. EM johan.forsberg@fysik.uu.se RI Schmitt, Thorsten/A-7025-2010; Andersson, Joakim/A-3017-2009 OI Andersson, Joakim/0000-0003-2991-1927 NR 19 TC 23 Z9 23 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 083110 DI 10.1063/1.2777391 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700011 PM 17764316 ER PT J AU Haskel, D Tseng, YC Lang, JC Sinogeikin, S AF Haskel, D. Tseng, Y. C. Lang, J. C. Sinogeikin, S. TI Instrument for x-ray magnetic circular dichroism measurements at high pressures SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ABSORPTION FINE-STRUCTURE; GD-5(SIXGE1-X)(4) AB An instrument has been developed for x-ray magnetic circular dichroism (XMCD) measurements at high pressures and low temperatures. This instrument couples a nonmagnetic copper-beryllium diamond anvil cell featuring perforated diamonds with a helium flow cryostat and an electromagnet. The applied pressure can be controlled in situ using a gas membrane and calibrated using Cu K-edge x-ray absorption fine structure measurements. The performance of this instrument was tested by measuring the XMCD spectra of the Gd5Si2Ge2 giant magnetocaloric material. C1 Argonne Natl Lab, Adv Photon Source, Magnet Mat Grp, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, HPCAT, Carnegie Inst Washington, Argonne, IL 60439 USA. RP Haskel, D (reprint author), Argonne Natl Lab, Adv Photon Source, Magnet Mat Grp, Argonne, IL 60439 USA. EM haskel@aps.anl.gov NR 25 TC 26 Z9 26 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 083904 DI 10.1063/1.2773800 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700027 PM 17764332 ER PT J AU Hawreliak, J Lorenzana, HE Remington, BA Lukezic, S Wark, JS AF Hawreliak, J. Lorenzana, H. E. Remington, B. A. Lukezic, S. Wark, J. S. TI Nanosecond x-Ray diffraction from polycrystalline and amorphous materials in a pinhole camera geometry suitable for laser shock compression experiments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID PLASTIC-DEFORMATION; HIGH-PRESSURE; SILICON AB Nanosecond pulses of quasimonochromatic x-rays emitted from the K shell of ions within a laser-produced plasma are of sufficient spectral brightness to allow single-shot recording of powder diffraction patterns from thin foils of order millimeter diameter. Strong diffraction signals have been observed in a cylindrical pinhole camera arrangement from both polycrystalline and amorphous foils, and the experimental arrangement and foil dimensions are such that they allow for laser shocking or quasi-isentropic loading of the foil during the diffraction process. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. RP Hawreliak, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM hawreliak1@llnl.gov NR 30 TC 19 Z9 19 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 083908 DI 10.1063/1.2772210 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700031 PM 17764336 ER PT J AU Kline, JL Shimada, T Johnson, RP Montgomery, DS Hegelich, BM Esquibel, DM Flippo, KA Gonzales, RP Hurry, TR Reid, SL AF Kline, J. L. Shimada, T. Johnson, R. P. Montgomery, D. S. Hegelich, B. M. Esquibel, D. M. Flippo, K. A. Gonzales, R. P. Hurry, T. R. Reid, S. L. TI Short pulse laser train for laser plasma interaction experiments SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID DRIVEN AB A multiframe, high-time resolution pump-probe diagnostic consisting of a consecutive train of ultrashort laser pulses (similar to ps) has been developed for use with a chirped pulse amplification (CPA) system. A system of high quality windows is used to create a series of 1054 nm picosecond-laser pulses which are injected into the CPA system before the pulse stretcher and amplifiers. By adding or removing windows in the pulse train forming optics, the number of pulses can be varied. By varying the distance and thickness of the respective optical elements, the time in between the pulses, i.e., the time in between frames, can be set. In our example application, the CPA pulse train is converted to 527 nm using a KDP crystal and focused into a preformed plasma and the reflected laser light due to stimulated Raman scattering is measured. Each pulse samples different plasma conditions as the plasma evolves in time, producing more data on each laser shot than with a single short pulse probe. This novel technique could potentially be implemented to obtain multiple high-time resolution measurements of the dynamics of physical processes over hundreds of picoseconds or even nanoseconds with picosecond resolution on a single shot. (c) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kline, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Flippo, Kirk/C-6872-2009; OI Flippo, Kirk/0000-0002-4752-5141; Kline, John/0000-0002-2271-9919 NR 13 TC 4 Z9 4 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 083501 DI 10.1063/1.2760687 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700015 PM 17764320 ER PT J AU Vizir, A Oks, EM Salvadori, MC Teixeira, FS Brown, IG AF Vizir, A. Oks, E. M. Salvadori, M. C. Teixeira, F. S. Brown, I. G. TI Small plasma source for materials application SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID IONS; GAS AB We describe a small hollow-cathode plasma source suitable for small-scale materials synthesis and modification application. The supporting electrical system is minimal. The gaseous plasma source delivers a plasma ion current of up to about 1 mA. Here we outline the source construction and operation, and present some of its basic performance characteristics. C1 Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. Univ Sao Paulo, Inst Phys, BR-05315970 Sao Paulo, Brazil. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Vizir, A (reprint author), Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. EM vizir@opee.hcei.tsc.ru RI Teixeira, Fernanda/A-9395-2013; Oks, Efim/A-9409-2014; Salvadori, Maria Cecilia/A-9379-2013; Vizir, Alexey/R-2139-2016 OI Oks, Efim/0000-0002-9323-0686; Vizir, Alexey/0000-0002-9563-8650 NR 6 TC 6 Z9 7 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD AUG PY 2007 VL 78 IS 8 AR 086103 DI 10.1063/1.2766837 PG 2 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 206AQ UT WOS:000249156700058 PM 17764363 ER PT J AU Sohn, MD Lorenzetti, DM AF Sohn, Michael D. Lorenzetti, David M. TI Siting bio-samplers in buildings SO RISK ANALYSIS LA English DT Article DE indoor airflow; optimization; sampler networks; sensor ID MULTIZONE AIR-FLOW; SENSOR PLACEMENT; WATER NETWORKS AB We describe a probabilistic approach to siting samplers for detecting accidental or intentional releases of biological material. In the face of uncertainty and variability in the release conditions, we place samplers in order to maximize the probability of detecting a release from among a suite of realistic scenarios. The scenarios may differ in any unknown, for example, the release size or location, weather, mode of building operation, etc. In an illustrative example, we apply the algorithm to a hypothetical 24-room commercial building, finding optimal networks for a variety of assumed sampler types. The results show how sampler characteristics, most importantly the detection limit, affect the network performance. This suggests using the probabilistic approach to guide the priorities of sampler designers, as well as to site samplers in specific buildings. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Sohn, MD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,Mail Stop 90R3058, Berkeley, CA 94720 USA. EM mdsohn@lbl.gov OI Lorenzetti, David/0000-0002-9971-1165 NR 9 TC 5 Z9 5 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0272-4332 J9 RISK ANAL JI Risk Anal. PD AUG PY 2007 VL 27 IS 4 BP 877 EP 886 DI 10.1111/j.1539-6924.2007.00929.x PG 10 WC Public, Environmental & Occupational Health; Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Public, Environmental & Occupational Health; Mathematics; Mathematical Methods In Social Sciences GA 229WJ UT WOS:000250836600007 PM 17958498 ER PT J AU Smith, CL Borgonovo, E AF Smith, C. L. Borgonovo, E. TI Decision making during nuclear power plant incidents - A new approach to the evaluation of precursor events SO RISK ANALYSIS LA English DT Article DE decision analysis; precursor analysis; probalistic safety assessment ID ACCIDENT MANAGEMENT STRATEGIES; SENSITIVITY-ANALYSIS-METHODS; INFLUENCE DIAGRAMS; RISK; RELIABILITY; MODEL AB Renewed interest in precursor analysis has shown that the evaluation of near misses is an interdisciplinary effort, fundamental within the life of an organization for reducing operational risks and enabling accident prevention. The practice of precursor analysis has been a part of nuclear power plant regulation in the United States for over 25 years. During this time, the models used in the analysis have evolved from simple risk equations to quite complex probabilistic risk assessments. But, one item that has remained constant over this time is that the focus of the analysis has been on modeling the scenario using the risk model (regardless of the model sophistication) and then using the results of the model to determine the severity of the precursor incident. We believe that evaluating precursors in this fashion could be a shortcoming since decision making during the incident is not formally investigated. Consequently, we present the idea for an evaluation procedure that enables one to integrate current practice with the evaluation of decisions made during the precursor event. The methodology borrows from technologies both in the risk analysis and the decision analysis realms. We demonstrate this new methodology via an evaluation of a U.S. precursor incident. Specifically, the course of the incident is represented by the integration of a probabilistic risk assessment model (i.e., the risk analysis tool) with an influence diagram and the corresponding decision tree (i.e., the decision analysis tools). The results and insights from the application of this new methodology are discussed. C1 Bocconi Univ, Inst Quantitat Methods, I-20135 Milan, Italy. Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Borgonovo, E (reprint author), Bocconi Univ, Inst Quantitat Methods, Viale Isonzo 25, I-20135 Milan, Italy. EM emanuele.borgonovo@unibocconi.it NR 46 TC 11 Z9 11 U1 2 U2 5 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0272-4332 J9 RISK ANAL JI Risk Anal. PD AUG PY 2007 VL 27 IS 4 BP 1027 EP 1042 DI 10.1111/j.1539-6924.2007.00941.x PG 16 WC Public, Environmental & Occupational Health; Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Public, Environmental & Occupational Health; Mathematics; Mathematical Methods In Social Sciences GA 229WJ UT WOS:000250836600018 PM 17958509 ER PT J AU Collins, W Colman, R Haywood, J Manning, MR Mote, P AF Collins, William Colman, Robert Haywood, James Manning, Martin R. Mote, Philip TI The physical science behind climate change SO SCIENTIFIC AMERICAN LA English DT Article AB Scientists are confident that humans have interfered with the climate and that further human-induced climate change is on the way. The principal driver of recent climate change is greenhouse gas emissions from human activities, primarily the burning of fossil fuels. Although further changes in the world's climate are now inevitable, the future, particularly in the longer term, remains largely in our hands-the magnitude of expected change depends on what humans choose to do about greenhouse gas emissions. C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Australian Bur Meteorol Res Ctr, Climate Dynam Grp, Melbourne, Vic, Australia. Met Off, Observat Based Res Grp & Chem, Climate & Ecosyst Grp, Exeter, Devon, England. NOAA, Earth Syst Res Lab, IPCC WG I, Support Unit, Boulder, CO 80303 USA. Univ Washington, Climate Impacts Grp, Seattle, WA 98195 USA. RP Collins, W (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. RI Collins, William/J-3147-2014 OI Collins, William/0000-0002-4463-9848 NR 0 TC 11 Z9 12 U1 2 U2 15 PU SCI AMERICAN INC PI NEW YORK PA 415 MADISON AVE, NEW YORK, NY 10017 USA SN 0036-8733 J9 SCI AM JI Sci.Am. PD AUG PY 2007 VL 297 IS 2 BP 64 EP 73 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 189KE UT WOS:000247987000031 PM 17894174 ER PT J AU Cheng, S Stoica, AD Wang, XL Wang, GY Choo, H Liaw, PK AF Cheng, S. Stoica, A. D. Wang, X.-L. Wang, G. Y. Choo, H. Liaw, P. K. TI Fracture of Ni with grain-size from nanocrystalline to ultrafine scale under cyclic loading SO SCRIPTA MATERIALIA LA English DT Article DE nanocrystalline; fatigue; fracture surface; striation ID BULK-METALLIC GLASSES; FATIGUE BEHAVIOR; DEFORMATION; STRENGTH; ALLOYS; COPPER; NICKEL; CU AB A two-step fatigue loading scheme was developed to study the fracture characteristics of nanocrystalline and ultrafine-grained Ni, with grain-sizes of 23 and 260 nm, respectively. Cyclic work-hardening, measured by the mid-loop width during cycling, was observed in both types of material in the first loading step. The loop width increases rapidly as the load is upgraded in the second step. Crack initiation and striation have been observed for the first time in nanocrystalline Ni. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Cheng, S (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM scheng1@utk.edu RI Wang, Xun-Li/C-9636-2010; Wang, Gongyao/C-4003-2011; Cheng, Sheng/D-9153-2013; Choo, Hahn/A-5494-2009; Stoica, Alexandru/K-3614-2013 OI Wang, Xun-Li/0000-0003-4060-8777; Cheng, Sheng/0000-0003-1137-1926; Choo, Hahn/0000-0002-8006-8907; Stoica, Alexandru/0000-0001-5118-0134 NR 21 TC 16 Z9 17 U1 0 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2007 VL 57 IS 3 BP 217 EP 220 DI 10.1016/j.scriptamat.2007.04.013 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 180ZI UT WOS:000247406100010 ER PT J AU Martin, LP Hodge, AM Campbell, GH AF Martin, L. Peter Hodge, Andrea M. Campbell, Geoffrey H. TI Compaction behavior of uniaxially cold-pressed Bi-Ta composites SO SCRIPTA MATERIALIA LA English DT Article DE powder consolidation; powder processing; metal matrix composites ID DENSIFICATION BEHAVIOR; POWDER COMPACTION; METAL POWDERS; MODEL; DEFORMATION AB Compaction of Bi and Ta powders was performed by uniaxial pressing at room temperature. Post-pressing density was evaluated as a function of the compaction pressure, and indicated that as the Ta content increases there is a reduction in density for comparable pressing conditions. A modified Heckel equation is used to evaluate the compaction behavior. The analysis indicates that the yield pressure increases with increasing Ta content while the Poisson's ratio is not significantly affected. The yield pressure derived from the analysis compares favorably with published compression testing data for polycrystalline Bi. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Martin, LP (reprint author), Lawrence Livermore Natl Lab, Mail Code L-340, PO Box 808, Livermore, CA 94551 USA. EM martin89@llnl.gov RI Campbell, Geoffrey/F-7681-2010 NR 25 TC 15 Z9 16 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2007 VL 57 IS 3 BP 229 EP 232 DI 10.1016/j.scriptamat.2007.04.004 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 180ZI UT WOS:000247406100013 ER PT J AU Wang, YM Jankowski, AF Hamza, AV AF Wang, Y. M. Jankowski, A. F. Hamza, A. V. TI Strength and thermal stability of nanocrystalline gold alloys SO SCRIPTA MATERIALIA LA English DT Article DE nanocrystalline gold; mechanical properties; solid solution; Hall-Petch relationship ID NANOSTRUCTURED METAL; GRAIN-SIZE; THIN-FILMS; DEFORMATION; CU; GROWTH; COPPER; NI; TEMPERATURE; DEPOSITION AB By additions of Cu and Sn elements, we have synthesized nanocrystalline Au-Cu and Au-Cu-Sn materials with a minimum grain size down to similar to 3 nm. Tensile measurements of these nanocrystalline materials indicate that the Hall-Petch scaling law is maintained to the smallest length scale. Though Cu and Sn solid solutions are observed to have little effect on the strength of nanocrystalline An, they substantially enhance the thermal stability of these alloys. Abnormal grain growth no longer becomes the characteristic feature of alloyed nanocrystalline Au. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. RP Wang, YM (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. EM ymwang@llnl.gov RI Wang, Yinmin (Morris)/F-2249-2010 OI Wang, Yinmin (Morris)/0000-0002-7161-2034 NR 21 TC 15 Z9 15 U1 3 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2007 VL 57 IS 4 BP 301 EP 304 DI 10.1016/j.scriptamat.2007.04.046 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 185KB UT WOS:000247708800004 ER PT J AU Karnesky, RA Sudbrack, CK Seidman, DN AF Karnesky, Richard A. Sudbrack, Chantal K. Seidman, David N. TI Best-fit ellipsoids of atom-probe tomographic data to study coalescence of gamma ' (L1(2)) precipitates in Ni-Al-Cr SO SCRIPTA MATERIALIA LA English DT Article DE best-fit ellipsoid; atom-probe tomography; coarsening; nickel alloys ID ALLOY; MICROSCOPY; SIMULATIONS; SCALE; FE AB An algorithm is presented to fit precipitates in atom-probe tomographic data sets as equivalent ellipsoids. Unlike previous techniques, which measure only the radius of gyration, these ellipsoids retain the moments of inertia and principle axes of the original precipitate, preserving crystallographic orientational information, The algorithm is applied to study interconnected gamma'-precipitates (L1(2)) in the gamma-matrix (face-centered cubic) of a Ni-Al-Cr alloy. The precipitates are found to coagulate along (110)-type directions. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Northwestern Univ, Ctr Atom Probe Tomograph, Evanston, IL 60208 USA. RP Karnesky, RA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM karnesky@northwestern.edu RI Seidman, David/B-6697-2009; Karnesky, Richard/D-1649-2010 OI Karnesky, Richard/0000-0003-4717-457X NR 34 TC 19 Z9 19 U1 1 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2007 VL 57 IS 4 BP 353 EP 356 DI 10.1016/j.scriptamat.2007.04.020 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 185KB UT WOS:000247708800017 ER PT J AU Wucherpfennig, KW Allen, PM Celada, F Cohen, IR De Boer, R Garcia, KC Goldstein, B Greenspan, R Hafler, D Hodgkin, P Huseby, ES Krakauer, DC Nemazee, D Perelson, AS Pinilla, C Strong, RK Sercarz, EE AF Wucherpfennig, Kai W. Allen, Paul M. Celada, Franco Cohen, Irun R. De Boer, Rob Garcia, K. Christopher Goldstein, Byron Greenspan, Ralph Hafler, David Hodgkin, Philip Huseby, Erik S. Krakauer, David C. Nemazee, David Perelson, Alan S. Pinilla, Clemencia Strong, Roland K. Sercarz, Eli E. TI Polyspecificity of T cell and B cell receptor recognition SO SEMINARS IN IMMUNOLOGY LA English DT Review DE T cell receptor; peptide; MHC; polyspecificity; recognition ID MAJOR HISTOCOMPATIBILITY COMPLEX; MYELIN BASIC-PROTEIN; CROSS-REACTIVITY; PEPTIDE-MHC; STRUCTURAL REQUIREMENTS; DEGENERATE RECOGNITION; ANTIGENIC PEPTIDE; SELF; SPECIFICITY; AUTOIMMUNITY AB A recent workshop discussed the recognition of multiple distinct ligands by individual T cell and B cell receptors and the implications of this discovery for lymphocyte biology. The workshop recommends general use of the term polyspecificity because it emphasizes two fundamental aspects, the inherent specificity of receptor recognition and the ability to recognize multiple ligands. Many different examples of polyspecificity and the structural mechanisms were discussed, and the group concluded that polyspecificity is a general, inherent feature of TCR and antibody recognition. This review summarizes the relevance of polyspecificity for lymphocyte development, activation and disease processes. (c) 2007 Elsevier Ltd. All rights reserved. C1 Dana Farber Canc Inst, Boston, MA 02115 USA. Harvard Univ, Sch Med, Dana Farber Canc Inst, Boston, MA 02115 USA. Washington Univ, Sch Med, Dept Pathol & Immunol, St Louis, MO 63110 USA. Univ Genoa, Dept Oncol Biol & Genet, Genoa, Italy. Weizmann Inst Sci, Dept Immunol, IL-76100 Rehovot, Israel. Univ Utrecht, Dept Theoret Biol, Utrecht, Netherlands. Stanford Univ, Sch Med, Howard Hughes Med Inst, Dept Microbiol & Immunol, Stanford, CA 94305 USA. Stanford Univ, Sch Med, Howard Hughes Med Inst, Dept Biol Struct, Stanford, CA 94305 USA. Los Alamos Natl Lab, Theoret & Phys Biol Grp, Los Alamos, NM 87545 USA. Inst Neurosci, San Diego, CA 92121 USA. Harvard Univ, Sch Med, Brigham & Womens Hosp, Dept Neurol, Boston, MA 02115 USA. Harvard Univ, Sch Med, Brigham & Womens Hosp, Ctr Neurol Dis, Boston, MA 02115 USA. Royal Melbourne Hosp, Walter & Eliza Hall Inst Med Res, Parkville, Vic 3050, Australia. Natl Jewish Med & Res Ctr, Howard Hughes Med Inst, Denver, CO 80206 USA. Natl Jewish Med & Res Ctr, Dept Integrat Immunol, Denver, CO 80206 USA. Santa Fe Inst, Santa Fe, NM 87501 USA. Scripps Res Inst, Dept Immunol, La Jolla, CA 92037 USA. Los Alamos Natl Lab, Dept Theoret Biol & Biophys, Los Alamos, NM 87545 USA. Torrey Pines Inst Mol Studies, Dept Immunochem, San Diego, CA 92121 USA. Fred Hutchinson Canc Res Ctr, Div Basic Sci, Seattle, WA 98109 USA. Torrey Pines Inst Mol Studies, Div Immune Regulat, San Diego, CA 92121 USA. RP Wucherpfennig, KW (reprint author), Dana Farber Canc Inst, 44 Binney St, Boston, MA 02115 USA. EM kai_wucherpfennig@dfci.harvard.edu RI Cohen, Irun/B-3542-2009; De Boer, Rob/B-6050-2011 OI De Boer, Rob/0000-0002-2130-691X FU NIAID NIH HHS [R01 AI064177, P01 AI045757, P01 AI045757-09, R01 AI033608, R01 AI064177-03, R13 AI068354, R13 AI068354-01]; NIGMS NIH HHS [R01 GM044809] NR 46 TC 91 Z9 93 U1 1 U2 5 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 1044-5323 J9 SEMIN IMMUNOL JI Semin. Immunol. PD AUG PY 2007 VL 19 IS 4 BP 216 EP 224 DI 10.1016/j.simm.2007.02.012 PG 9 WC Immunology SC Immunology GA 199VD UT WOS:000248722400002 PM 17398114 ER PT J AU Herrmann, AM Ritz, K Nunan, N Clode, PL Pett-Ridge, J Kilburn, MR Murphy, DV O'Donnell, AG Stockdale, EA AF Herrmann, Anke M. Ritz, Karl Nunan, Naoise Clode, Peta L. Pett-Ridge, Jennifer Kilburn, Matt R. Murphy, Daniel V. O'Donnell, Anthony G. Stockdale, Elizabeth A. TI Nano-scale secondary ion mass spectrometry - A new analytical tool in biogeochemistry and soil ecology: A review article SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Review DE NanoSIMS; mass spectrometry; stable isotopes; soil heterogeneity; microbial communities ID INTERPLANETARY DUST PARTICLES; BACTERIAL COMMUNITY STRUCTURE; WEATHERED PEGMATITIC GRANITE; LASER-SCANNING MICROSCOPY; IN-SITU HYBRIDIZATION; SPATIAL-DISTRIBUTION; NITROGEN MINERALIZATION; ORGANIC-MATTER; MICROPROBE NANOSIMS; MICROBIAL DIVERSITY AB Soils are structurally heterogeneous across a wide range of spatio-temporal scales. Consequently, external environmental conditions do not have a uniform effect throughout the soil, resulting in a large diversity of micro-habitats. It has been Suggested that soil function can be studied without explicit consideration of such fine detail, but recent research has indicated that the micro-scale distribution of organisms may be of importance for a mechanistic understanding of many soil functions. Current techniques still lack the adequate sensitivity and resolution for data collection at the micro-scale, and the question 'How important are various soil processes acting at different scales for ecological function?' is therefore challenging to answer. The nano-scale secondary ion mass spectrometer (NanoSIMS) represents the latest generation of ion microprobes, which link high-resolution microscopy with isotopic analysis. The main advantage of NanoSIMS over other secondary ion mass spectrometers is its ability to operate at high mass resolution, whilst maintaining both excellent signal transmission and spatial resolution (down to 50 nm). NanoSINIS has been used previously in studies focussing on presolar materials from meteorites, in material science, biology, geology and mineralogy. Recently, the potential of NanoSINIS as a new tool in the study of biophysical interfaces in soils has been demonstrated. This paper describes the principles of NanoSINIS and discusses the potential of this tool to contribute to the field of biogeochemistry and soil ecology. Practical considerations (sample size and preparation, simultaneous collection of isotopes, mass resolution, isobaric interference and quantification of the isotopes of interest) are discussed. Adequate sample preparation, avoiding bias due to artefacts, and identification of regions-of-interest will be critical concerns if NanoSINIS is used as a new tool in biogeochemistry and soil ecology. Finally, we review the areas of research most likely to benefit from the high spatial and high mass resolution attainable with this new approach. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Western Australia, Sch Earth & Geog Sci, Nedlands, WA 6009, Australia. Cranfield Univ, Sch Appl Sci, Natl Soil Resources Inst, Cranfield MK43 0AL, Beds, England. CNRS, UMR 7618, BioEMCo, AgroParis Tech, F-78850 Thiverval Grignon, France. Univ Western Australia, Ctr Microscopy Charecterisat & Anal, Nedlands, WA 6009, Australia. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Univ Newcastle Upon Tyne, Inst Res Environm & Sustainabil, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. Univ Newcastle Upon Tyne, Sch Agr Food & Rural Dev, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England. RP Herrmann, AM (reprint author), Univ Western Australia, Sch Earth & Geog Sci, 35 Stirling Highway, Nedlands, WA 6009, Australia. EM anke.herrmann@gmail.com RI Clode, Peta/C-4482-2011; Kilburn, Matthew/C-4515-2011; Stockdale, Elizabeth/A-8141-2013; Nunan, Naoise/I-5297-2013; OI Kilburn, Matthew/0000-0002-1858-8485; Nunan, Naoise/0000-0003-3448-7171; Ritz, Karl/0000-0001-6584-0631 NR 139 TC 79 Z9 85 U1 12 U2 128 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD AUG PY 2007 VL 39 IS 8 BP 1835 EP 1850 DI 10.1016/j.soilbio.2007.03.011 PG 16 WC Soil Science SC Agriculture GA 179NE UT WOS:000247295800001 ER PT J AU Housman, DC Yeager, CM Darby, BJ Sanford, RL Kuske, CR Neher, DA Belnap, J AF Housman, David C. Yeager, Chris M. Darby, Brian J. Sanford, Robert L., Jr. Kuske, Cheryl R. Neher, Deborah A. Belnap, Jayne TI Heterogeneity of soil nutrients and subsurface biota in a dryland ecosystem SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE biological soil crust; islands of fertility; soil chemistry; soil fauna; soil food webs ID SHRUB-STEPPE ECOSYSTEM; DESERT ECOSYSTEMS; MICROBIAL BIOMASS; CHIHUAHUAN DESERT; CHEMICAL-PATTERNS; RESOURCE ISLANDS; NITROGEN; DIVERSITY; SAGEBRUSH; BACTERIAL AB Dryland ecosystems have long been considered to have a highly heterogeneous distribution of nutrients and soil biota, with greater concentrations of both in soils under plants relative to interspace soils. We examined the distribution of soil resources in two plant communities (dominated by either the shrub Coleogyne ramosissima or the grass Stipa hymenoides) at two locations. Interspace soils were covered either by early successional biological soil crusts (BSCs) or by later successional BSCs (dominated by nitrogen (N)-fixing cyanobacteria and lichens). For each of the 8 plant type x crust type x locations, we sampled the stem, dripline, and 3 interspace distances around each of 3 plants. Soil analyses revealed that only available potassium (K(av)) and ammonium concentrations were consistently greater under plants (7 of 8 sites and 6 of 8 sites, respectively). Nitrate and iron (Fe) were greater under plants at 4 sites, while all other nutrients were greater under plants at less than 50% of the sites. In contrast, calcium, copper, clay, phosphorus (P), and zinc were often greater in the interspace than under the plants. Soil microbial biomass was always greater under the plant compared to the interspace. The community composition of N-fixing bacteria was highly variable, with no distinguishable patterns among microsites. Bacterivorous nematodes and rotifers were consistently more abundant under plants (8 and 7 sites, respectively), and fungivorous and omnivorous nematodes were greater under plants at 5 of the 8 sites. Abundance of other soil biota was greater under plants at less than 50% of the sites, but highly correlated with the availability of N, P, K(av), and Fe. Unlike other ecosystems, the soil biota was only infrequently correlated with organic matter. Lack of plant-driven heterogeneity in soils of this ecosystem is likely due to (1) interspace soils covered with BSCs, (2) little incorporation of above-ground plant litter into soils, and/or (3) root deployment patterns. (C) 2007 Elsevier Ltd. All rights reserved. C1 US Geol Survey, Canyonlands Res Stn, Moab, UT 84532 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Univ Toledo, Dept Earth Ecol & Environm Sci, Toledo, OH 43606 USA. Univ Denver, Dept Biol Sci, Denver, CO 80208 USA. Savannah River Natl Lab, Environm Biotechnol Sect, Aiken, SC 29808 USA. Univ Vermont, Dept Plant & Soil Sci, Burlington, VT 05405 USA. RP Housman, DC (reprint author), US Geol Survey, Canyonlands Res Stn, 2290 S W Resource Blvd, Moab, UT 84532 USA. EM dhousman@usgs.gov OI Sanford, Robert/0000-0003-2391-9231 NR 42 TC 40 Z9 43 U1 13 U2 58 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD AUG PY 2007 VL 39 IS 8 BP 2138 EP 2149 DI 10.1016/j.soilbio.2007.03.015 PG 12 WC Soil Science SC Agriculture GA 179NE UT WOS:000247295800030 ER PT J AU Qafoku, NP Ainsworth, CC Heald, SM AF Qafoku, Nikolla P. Ainsworth, Calvin C. Heald, Steve M. TI Cr(VI) fate in mineralogically altered sediments by hyperalkaline waste fluids SO SOIL SCIENCE LA English DT Article DE redox reactions; Cr mobility; Cr transport; Hanford sediment; alkaline solutions; saline solutions ID SIMULATED TANK WASTE; PHASE TRANSFORMATIONS; DISSOLUTION; PRECIPITATION; REDUCTION; TRANSPORT; CHROMIUM; ALKALINE; IMPACT; PH AB Hyperalkaline (pH similar to 14), high temperature (>100 degrees C), high ionic strength (>5 mol L-1) waste fluids (WFs) contaminated with Cr(VI) have accidentally leaked from storage tanks at the Hanford Site in Washington into the underlying sediments. Previous laboratory studies conducted under such extreme conditions have shown that Cr(VI) was abiotically reduced to Cr(III) by aqueous Fe(II) released from dissolving soil minerals. However, these studies were conducted in the absence of other electron acceptors such as O-2 that may be present, although in limited amounts, in inherently oxidized vadose zones, and may compete for Fe(II) electrons. In addition, Cr(VI) adsorption can become an important attenuation mechanism in WF-altered sediments because sorbents such as cancrinite, sodalite, and Fe oxides were formed in appreciable amounts in these geosystems. The objectives of this study were to estimate Cr(VI) attenuation via reduction in the presence of limited amounts of O-2 and to determine the potential for Cr(VI) sorption in the vadose zone sediments of the hyperalkaline plume. Results from batch and column experiments conducted at 50 degrees C with simulated WF and results of microprobe elemental mapping and micro-X-ray absorption near edge structure analyses performed on posttreatment sediments confirmed that the main attenuation mechanism was Cr(VI) reduction to less mobile Cr(III). Oxygen that was periodically introduced into the otherwise closed geosystem competed effectively with Cr(VI) for the available electrons only at low base concentrations, that is, 1 mol(-1). Localized reduced zones were created in the sediment when intensive dissolution of soil minerals occurred in the presence of high base concentrations, that is, 4 mol L-1, confirming that contaminant Cr mobility may be significantly reduced even in the presence of O-2. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Qafoku, NP (reprint author), Pacific NW Natl Lab, POB 999,MSIN K3-61, Richland, WA 99352 USA. EM nik.qafoku@pnl.gov OI Qafoku, Nikolla P./0000-0002-3258-5379 NR 26 TC 8 Z9 9 U1 3 U2 13 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0038-075X J9 SOIL SCI JI Soil Sci. PD AUG PY 2007 VL 172 IS 8 BP 598 EP 613 DI 10.1097/SS.0b013e31806db5b2 PG 16 WC Soil Science SC Agriculture GA 200MW UT WOS:000248768500003 ER PT J AU Camaratta, M Wachsman, E AF Camaratta, Matthew Wachsman, Eric TI Silver-bismuth oxide cathodes for IT-SOFCs - Part II - Improving stability through microstructural control SO SOLID STATE IONICS LA English DT Article DE SOFC cathodes; cathode stability; silver; bismuth oxide; ESB; IT SOFC; composite cathodes; cathode microstructure ID FUEL-CELLS; ELECTROLYTE; TRANSPORT AB Porous composite electrodes consisting of pure silver and Er0.4Bi1.6O3 (ESB20) were synthesized and characterized using impedance spectroscopy. In Part I of this study the electrode area specific resistance (ASR) of this system was found to increase by nearly 70% in 100 h at 650 degrees C due to migration and ultimate growth and agglomeration of the silver phase. In the present study, two approaches were used to combat silver migration. First, nano-sized 8-mol% YSZ powders were added to the electrode slurries. Stability improvement was achieved at 5, 10, and 15 vol.% YSZ. Second, ESB20 starting particle size was reduced using vibratory milling. This approach yielded a 25% reduction in initial ASR, a 95% reduction in ASR degradation rate under no applied bias at 650 degrees C, and a 50% reduction in degradation rate under a 250 mV applied bias at 650 degrees C. (C) 2007 Elsevier B.V All rights reserved. C1 Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. RP Wachsman, E (reprint author), Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. EM ewach@mse.ufl.edu NR 18 TC 25 Z9 25 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 J9 SOLID STATE IONICS JI Solid State Ion. PD AUG PY 2007 VL 178 IS 23-24 BP 1411 EP 1418 DI 10.1016/j.ssi.2007.07.006 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 222QT UT WOS:000250312700011 ER PT J AU Giuliani, JR Harley, SJ Carter, RS Power, PP Augustine, MP AF Giuliani, J. R. Harley, S. J. Carter, R. S. Power, P. P. Augustine, M. P. TI Using liquid and solid state NMR and photoluminescence to study the synthesis and solubility properties of amine capped silicon nanoparticles SO SOLID STATE NUCLEAR MAGNETIC RESONANCE LA English DT Article DE nanoparticles; Si-29 nuclear magnetic resonance; nuclear spin relaxation; photoluminescence ID NUCLEAR-MAGNETIC-RESONANCE; ANGLE-SPINNING NMR; CROSS-POLARIZATION; POROUS SILICON; CARBON RESONANCES; SPECTRA; SI-29; SPECTROSCOPY; OXIDATION; SURFACE AB Water soluble silicon nanoparticles were prepared by the reaction of bromine terminated silicon nanoparticles with 3(dimethylamino)propyl lithium and characterized with liquid and solid state nuclear magnetic resonance (NMR) and photoluminescence (PL) spectroscopies. The surface site dependent Si-29 chemical shifts and the nuclear spin relaxation rates from an assortment of H-1-Si-29 heteronuclear solid state NMR experiments for the amine coated reaction product are consistent with both the H-1 and C-13 liquid state NMR results and routine transmission electron microscopy, ultra-violet/visible, and Fourier transform infrared measurements. PL was used to demonstrate the pH dependent solubility properties of the amine passivated silicon nanoparticles. (c) 2007 Elsevier Inc. All rights reserved. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Augustine, MP (reprint author), Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA. EM augustin@chem.ucdavis.edu NR 38 TC 12 Z9 12 U1 1 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0926-2040 J9 SOLID STATE NUCL MAG JI Solid State Nucl. Magn. Reson. PD AUG PY 2007 VL 32 IS 1 BP 1 EP 10 DI 10.1016/j.ssnmr.2007.02.006 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Spectroscopy SC Chemistry; Physics; Spectroscopy GA 209YF UT WOS:000249423200001 PM 17611084 ER PT J AU Cheng, YZ Wu, MM Peng, J Xiao, XL Li, ZX Hu, ZB Kiyanagi, R Fieramosca, JS Short, S Jorgensen, J AF Cheng, Y. Z. Wu, M. M. Peng, J. Xiao, X. L. Li, Z. X. Hu, Z. B. Kiyanagi, R. Fieramosca, J. S. Short, S. Jorgensen, J. TI Structures, thermal expansion properties and phase transitions of ErxFe2-x(MoO4)(3) (0.0 <= x <= 2.0) SO SOLID STATE SCIENCES LA English DT Article DE phase transition; X-ray diffraction; molybdate; negative thermal expansion ID CRYSTAL-STRUCTURE; FERRIC MOLYBDATE; TUNGSTATE; ZRW2O8 AB Structures, thermal expansion properties and phase transitions of ErxFe2-x,(MoO4)(3) (0.0 <= x <= 2.0) have been investigated by X-ray diffraction and differential thermal analysis. The partial substitution of Er3+ for Fe3+ induces pronounced decreases in the phase transition temperature from monoclinic to orthorhombic structure. Rietveld analysis of the XRD data shows that both the monoclinic and orthorhombic Fe-2(MoO4)(3), as well as the orthorhombic ErxFe2-x(MoO4)(3) (x <= 0.8) have positive thermal expansion coefficients. However, the linear thermal expansion coefficients of ErxFe2-x(MoO4)(3) (x = 0.6-2.0) decrease with increasing content of Er3+ and for x >= 1.0, compounds ErxFe2-x (MoO4)(3) show negative thermal expansion properties. Attempts for making zero thermal expansion coefficient materials result in that very low negative thermal expansion coefficient of -0.60 x 10(-6)/degrees C in Er1.0Fe1.0(MoO4)(3) is observed in the temperature range of 180-400 degrees C, and zero thermal expansion is observed in ErxFe2-x(MoO4)(3) in the temperature range of 350-450 degrees C. In addition, anisotropic thermal expansions are found for all the orthorhombic ErxFe2-x(MoO4)(3) compounds, with negative thermal expansion coefficients along the a axes. (C) 2007 Elsevier Masson SAS. All rights reserved. C1 Chinese Acad Sci, Grad Univ, Coll Chem & Chem Engn, Beijing 100049, Peoples R China. Shandong Univ Technol, Coll Chem Engn, Zibo 255049, Peoples R China. Argonne Natl Lab, IPNS, MSD, Argonne, IL 60439 USA. RP Hu, ZB (reprint author), Chinese Acad Sci, Grad Univ, Coll Chem & Chem Engn, 19A YuQuan Rd, Beijing 100049, Peoples R China. EM huzq@gucas.ac.cn NR 19 TC 19 Z9 19 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1293-2558 J9 SOLID STATE SCI JI Solid State Sci. PD AUG PY 2007 VL 9 IS 8 BP 693 EP 698 DI 10.1016/j.solidstatesciences.2007.04.018 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 211KJ UT WOS:000249522400006 ER PT J AU Goldsten, JO Rhodes, EA Boynton, WV Feldman, WC Lawrence, DJ Trombka, JI Smith, DM Evans, LG White, J Madden, NW Berg, PC Murphy, GA Gurnee, RS Strohbehn, K Williams, BD Schaefer, ED Monaco, CA Cork, CP Del Eckels, J Miller, WO Burks, MT Hagler, LB DeTeresa, SJ Witte, MC AF Goldsten, John O. Rhodes, Edgar A. Boynton, William V. Feldman, William C. Lawrence, David J. Trombka, Jacob I. Smith, David M. Evans, Larry G. White, Jack Madden, Norman W. Berg, Peter C. Murphy, Graham A. Gurnee, Reid S. Strohbehn, Kim Williams, Bruce D. Schaefer, Edward D. Monaco, Christopher A. Cork, Christopher P. Del Eckels, J. Miller, Wayne O. Burks, Morgan T. Hagler, Lisle B. DeTeresa, Steve J. Witte, Monika C. TI The MESSENGER gamma-ray and neutron spectrometer SO SPACE SCIENCE REVIEWS LA English DT Review DE MESSENGER; Mercury; Gamma-ray spectrometry; X-ray spectrometry; surface composition ID LUNAR PROSPECTOR; MARS ODYSSEY; POLAR ANOMALIES; MERCURY RADAR; ICE DEPOSITS; NORTH-POLE; SURFACE; STABILITY; MOON; SPECTROSCOPY AB A Gamma-Ray and Neutron Spectrometer (GRNS) instrument has been developed as part of the science payload for NASA's Discovery Program mission to the planet Mercury. Mercury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) launched successfully in 2004 and will journey more than six years before entering Mercury orbit to begin a one-year investigation. The GRNS instrument forms part of the geochemistry investigation and will yield maps of the elemental composition of the planet surface. Major elements include H, O, Na, Mg, Si, Ca, Ti, Fe, K, and Th. The Gamma-Ray Spectrometer (GRS) portion detects gamma-ray emissions in the 0.1- to 10-MeV energy range and achieves an energy resolution of 3.5 keV full-width at half-maximum for Co-60 (1332 keV). It is the first interplanetary use of a mechanically cooled Ge detector. Special construction techniques provide the necessary thermal isolation to maintain the sensor's encapsulated detector at cryogenic temperatures (90 K) despite the intense thermal environment. Given the mission constraints, the GRS sensor is necessarily body-mounted to the spacecraft, but the outer housing is equipped with an anticoincidence shield to reduce the background from charged particles. The Neutron Spectrometer (NS) sensor consists of a sandwich of three scintillation detectors working in concert to measure the flux of ejected neutrons in three energy ranges from thermal to similar to 7 MeV. The NS is particularly sensitive to H content and will help resolve the composition of Mercury's polar deposits. This paper provides an overview of the Gamma-Ray and Neutron Spectrometer and describes its science and measurement objectives, the design and operation of the instrument, the ground calibration effort, and a look at some early in-flight data. C1 Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. Comp Sci Corp, Sci Programs, Lanham, MD 20706 USA. Sci & Engn Solut Inc, Chagrin Falls, OH 44023 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Goldsten, JO (reprint author), Johns Hopkins Univ, Appl Phys Lab, Johns Hopkins Rd, Laurel, MD 20723 USA. EM john.goldsten@jhuapl.edu RI Lawrence, David/E-7463-2015 OI Lawrence, David/0000-0002-7696-6667 NR 57 TC 77 Z9 77 U1 0 U2 19 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0038-6308 J9 SPACE SCI REV JI Space Sci. Rev. PD AUG PY 2007 VL 131 IS 1-4 BP 339 EP 391 DI 10.1007/s11214-007-9262-7 PG 53 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 238DI UT WOS:000251427100011 ER PT J AU Gorucu, FB Jikich, SA Bromhal, GS Sams, WN Ertekin, T Smith, DH AF Gorucu, F. Burcu Jikich, Sinisha A. Bromhal, Grant S. Sams, W. Neal Ertekin, Turgay Smith, Duane H. TI Effects of matrix shrinkage and swelling on the economics of enhanced-coalbed-methane production and CO2 sequestration in coal SO SPE RESERVOIR EVALUATION & ENGINEERING LA English DT Article; Proceedings Paper CT 2005 SPE Eastern Regional Meeting CY SEP 14-16, 2005 CL Morgantown, WV SP Soc Petr Engineers AB Increases in carbon dioxide (CO2) levels in the atmosphere and their contributions to global climate change are a major concern. CO, sequestration in unmineable coals may be a very attractive option, for economic as well as environmental reasons, if a combination of enhanced-coalbed-methane (ECBM) production and tax incentives becomes sufficiently favorable compared to the costs of capture, transport, and injection of CO2 Darcy flow through cleats is an important transport mechanism in coal. Cleat compression and permeability changes caused by gas sorption/desorption, changes of effective stress, and matrix swelling and shrinkage introduce a high level of complexity into the feasibility of a coal sequestration project. The economic effects of C02-induced swelling on permeabilities and injectivities has received little (if any) detailed attention. CO2 and methane (CH,) have different swelling effects on coal. In this work, the Palmer-Mansoori model for coal shrinkage and permeability increases during primary methane production was rewritten to also account for coal swelling caused by CO2 sorption. The generalized model was added to a compositional, dualporosity coalbed-methane reservoir simulator for primary (CBM) and ECBM production. A standard five-spot of vertical wells and representative coal properties for Appalachian coals was used (Rogers 1994). Simulations and sensitivity analyses were performed with the modified simulator for nine different parameters, including coal scam and operational parameters and economic criteria. The coal properties and operating parameters that were varied included Young's modulus, Poisson's ratio, cleat porosity, and injection pressure. The economic variables included CH, price, Col Cost, CO2 credit, water disposal cost, and interest rate. Net-pre sent- value (NPV) analyses of the simulation results included profits resulting from CH, production and potential incentives for sequestered CO, This work shows that for some coal seams, the combination of compressibility, cleat porosity, and shrinkage/swelling of the coal may have a significant impact on project economics.. C1 Penn State Univ, Natl Energy Technol Lab, US DOE, University Pk, PA 16802 USA. Natl Energy Technol Lab, Parsons, WV USA. Natl Energy Technol Lab, EG&G Tech Serv, Morgantown, WV USA. W Virginia Univ, Morgantown, WV 26506 USA. RP Gorucu, FB (reprint author), Penn State Univ, Natl Energy Technol Lab, US DOE, University Pk, PA 16802 USA. NR 45 TC 5 Z9 7 U1 0 U2 8 PU SOC PETROLEUM ENG PI RICHARDSON PA 222 PALISADES CREEK DR,, RICHARDSON, TX 75080 USA SN 1094-6470 J9 SPE RESERV EVAL ENG JI SPE Reserv. Eval. Eng. PD AUG PY 2007 VL 10 IS 4 BP 382 EP 392 PG 11 WC Energy & Fuels; Engineering, Petroleum; Geosciences, Multidisciplinary SC Energy & Fuels; Engineering; Geology GA 202RX UT WOS:000248922000006 ER PT J AU Wee, SH Goyal, A Li, J Zuev, YL Cook, S Heatherly, L AF Wee, S. H. Goyal, A. Li, J. Zuev, Y. L. Cook, S. Heatherly, L. TI The incorporation of nanoscale columnar defects comprised of self-assembled BaZrO3 nanodots to improve the flux pinning and critical current density of NdBa2Cu3O7-delta films grown on RABiTS SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID YBA2CU3O7-DELTA FILMS; CRYSTALS AB We report significant enhancement in the flux-pinning of epitaxial NdBa2Cu3O7-delta (NdBCO) films on rolling-assisted biaxially textured substrates (RABiTS) via the incorporation of a two-dimensional array of columnar defects comprised of self-assembled BaZrO3 (BZO) nanodots. Pure NdBCO films and NdBCO films incorporating BZO nanodots, both with the same thickness of 0.6 mu m, were epitaxially grown on RABiTS by pulsed laser deposition. A very dense and homogeneous distribution of BZO nanodot columns with typical intercolumn spacing of around 15-20 nm oriented along the c-axis of the film was observed in the NdBCO + BZO film. Compared to the pure NBCO film on RABiTS, the NdBCO + BZO film on RABiTS has an in-field critical current density (J(c)) of a factor of more than 2 in 0.1-1.5 T and a smaller power-law exponent alpha similar to 0.21 in the field regime where J(c) similar to H-alpha. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Wee, SH (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM wees@ornl.gov NR 14 TC 34 Z9 34 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2007 VL 20 IS 8 BP 789 EP 793 DI 10.1088/0953-2048/20/8/012 PG 5 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 198XO UT WOS:000248661000015 ER PT J AU Grilli, F Ashworth, SP AF Grilli, F. Ashworth, Stephen P. TI Measuring transport AC losses in YBCO-coated conductor coils SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article ID CRITICAL-CURRENT DENSITY; SUPERCONDUCTORS; FIELD AB Several AC power applications of YBCO-coated conductors (CCs) involve superconducting tapes wound in coils. In such a configuration the superconducting tape is arranged as closely packed turns, which strongly interact due to the generated magnetic field. This has a strong influence on the AC losses, which are different from those of an isolated tape, and need to be precisely quantified in order to predict and reduce the refrigeration requirements of applications. In this paper we experimentally evaluate the transport AC losses in a pancake coil composed of 25 turns of superconducting tape. We describe in detail the measuring technique utilized, pointing out the issues in this kind of measurement. We also present preliminary results of AC loss computation by finite-element modelling. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Grilli, F (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM fgrilli@lanl.gov NR 11 TC 50 Z9 50 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2007 VL 20 IS 8 BP 794 EP 799 DI 10.1088/0953-2048/20/8/013 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 198XO UT WOS:000248661000016 ER PT J AU Senanayake, SD Zhou, J Baddorf, AP Mullins, DR AF Senanayake, S. D. Zhou, J. Baddorf, A. P. Mullins, D. R. TI The reaction of carbon monoxide with palladium supported on cerium oxide thin films SO SURFACE SCIENCE LA English DT Article DE soft X-ray photoelectron spectroscopy; temperature programmed desorption; scanning tunneling microscopy; thermal desorption; sintering; cerium; palladium; carbon monoxide ID SCANNING-TUNNELING-MICROSCOPY; CO; ADSORPTION; NO; DISSOCIATION; SURFACE; PD; CATALYSTS; PD(111); C2H4 AB In this study we probe the reaction of carbon monoxide with Pd nanoparticles supported on cerium oxide thin films. With the use of soft X-ray photoelectron spectroscopy (sXPS), and temperature programmed desorption (TPD) the surface intermediates and pathways leading to reaction products of CO on I'd supported on ceria were investigated. When Pd is supported on the stoichiometric CeO2, surface (Ce+4) only the molecular adsorption of CO on Pd is visible (286.4 eV). All of the CO desorbs below 520 K, however a small amount of 0 exchange between the CO and the ceria was indicated through the acquisition of labeled O-18 from the substrate in the desorbed CO. The Pd nanoparticles are activated on partially reduced CeOx, to promote the dissociation of <10% of the CO as indicated by a C-Pd species (284.4 eV) in sXPS. The C recombines with 0 from the ceria and desorbs between 600 and 700 K. The majority of the CO does not dissociate, however, and the degree of dissociation does not increase with the degree of ceria reduction. This result is in contrast with Rh natioparticles supported on ceria where the degree of dissociation increased with the degree of ceria reduction and nearly total dissociation was obtained when the ceria was highly reduced. (c) 2007 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. RP Mullins, DR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. EM mullinsdr@ornl.gov RI Senanayake, Sanjaya/D-4769-2009; Baddorf, Arthur/I-1308-2016 OI Senanayake, Sanjaya/0000-0003-3991-4232; Baddorf, Arthur/0000-0001-7023-2382 NR 36 TC 20 Z9 20 U1 2 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD AUG 1 PY 2007 VL 601 IS 15 BP 3215 EP 3223 DI 10.1016/j.susc.2007.05.037 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 202DJ UT WOS:000248881900010 ER PT J AU Biegon, A Gibbs, A Alvarado, M Ono, M Taylor, S AF Biegon, Anat Gibbs, Andrew Alvarado, Maritza Ono, Michele Taylor, Scott TI In vitro and in vivo characterization of [H-3]CNS-5161 - A use-dependent ligand for the N-methyl-D-aspartate receptor in rat brain SO SYNAPSE LA English DT Article DE glutamate; brain; autoradiography; radiopharmaceutical; PET ID EXCITATORY AMINO-ACIDS; CANDIDATE PET TRACER; NMDA ION-CHANNEL; HEAD-INJURY; ALZHEIMERS-DISEASE; CEREBRAL-ISCHEMIA; SPECT AGENT; PCP SITE; GLUTAMATE; BINDING AB Glutamate is the major excitatory neurotransmitter in the brain. Glutamate activation of the N-methyl-D-aspartate (NMDA) receptor subtype is thought to mediate important physiological and pathological processes, including memory formation and excitotoxicity. The goal of the present work was to characterize and validate a candidate agent for noninvasive positron emission tomography (PET) imaging of this receptor. [H-3]-labeled N-[3-H-3]-methyl-3-(thiomethylphenyl)cyanamide (CNS-5161) was incubated with rat brain homogenates at increasing concentrations, temperatures, and times to establish the binding kinetics and affinity of the ligand in vitro. Nonspecific binding was measured with 100 mu M MK-801. The compound was also injected i.v. in rats pretreated with saline, NMDA, MK801, or a combination, and organ and brain regional uptake was assessed at various times after injection by autoradiography or dissection. Blood and brain samples were assayed for metabolites by high-performance liquid chromatography. CNS-5161 binds brain membranes with high affinity (K-d < 4 nM) and fast association and dissociation kinetics. Specific binding increased in the presence of glutamate and glycine. Intravenous administration in control rats resulted in a heterogeneous brain distribution with hippocampus and cortex > thalamus > striatum > cerebellum, and a cortex/cerebellum ratio of 1.4. Pretreatment with NMDA increased the hippocampus-to-cerebellum ratio to 1.6-1.9 while MK801 abolished this increase, resulting in ratios close to 1. Thus, CNS-5161 binds preferentially to the activated state of the NMDA receptor channel in vitro and in vivo. The high affinity and fast kinetics make it compatible with PET imaging of a carbon-11 labeled CNS-5161. C1 Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Funct Imaging, Berkeley, CA 94720 USA. RP Biegon, A (reprint author), Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. EM Biegon@bnl.gov NR 46 TC 14 Z9 14 U1 0 U2 3 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0887-4476 J9 SYNAPSE JI Synapse PD AUG PY 2007 VL 61 IS 8 BP 577 EP 586 DI 10.1002/syn.20400 PG 10 WC Neurosciences SC Neurosciences & Neurology GA 178CO UT WOS:000247199000001 PM 17455246 ER PT J AU Timchalk, C Kousba, AA Poet, TS AF Timchalk, Charles Kousba, Ahmed A. Poet, Torka S. TI An age-dependent physiologically based pharmacokinetic/pharmacodynamic model for the organophosphorus insecticide chlorpyrifos in the preweanling rat SO TOXICOLOGICAL SCIENCES LA English DT Article DE chlorpyrifos; PBPK/PD; preweanling rat; age-dependent sensitivity ID INVIVO CHOLINESTERASE INHIBITION; ADULT-RATS; PHARMACOKINETIC DIFFERENCES; IN-VITRO; ORAL CHLORPYRIFOS; TISSUE DOSIMETRY; POTENTIAL IMPACT; ORGAN WEIGHTS; BRAIN; ACETYLCHOLINESTERASE AB Juvenile rats are more susceptible than adults to the acute toxicity of organophosphorus insecticides like chlorpyrifos (CPF). Age- and dose-dependent differences in metabolism may be responsible. Of importance are CYP450 activation and detoxification of CPF to chlorpyrifos-oxon (CPF-oxon) and trichloropyridinol (TCP), as well as B-esterase (B-est) and PON-1 (A-esterase) de- toxification of CPF-oxon to TCP. In the current study, a physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) model incorporating age-dependent changes in CYP450, PON-1, and tissue B-est levels for rats was developed. In this model, age was used as a dependent function to estimate body weight which was then used to allometricalIy scale both metabolism and tissue cholinesterase (ChE) levels. In addition, age-dependent changes in brain, liver, and fat volumes and brain blood flow were obtained from the literature and used in the simulations. Model simulations suggest that preweanling rats are particularly sensitive to CPF toxicity, with levels of CPF-oxon in blood and brain disproportionately increasing, relative to the response in adult rats. This age-dependent nonlinear increase in CPF-oxon concentration may potentially result from both the depletion of nontarget B-est and a lower PON-1 metabolic capacity in younger animals. The PBPK/PD model behaves consistently with the general understanding of CPF toxicity, pharmacokinetics, and tissue ChE inhibition in neonatal and adult rats. Hence, this model represents an important starting point for developing a computational model to assess the neurotoxic potential of environmentally relevant organophosphate exposures in infants and children. C1 Battelle Pacific NW Div, Ctr Biol Monitoring & Modeling, Richland, WA 99352 USA. RP Timchalk, C (reprint author), Battelle Pacific NW Div, Ctr Biol Monitoring & Modeling, 902 Battelle Blvg, Richland, WA 99352 USA. EM charles.timchalk@pnl.gov FU NIOSH CDC HHS [R01 OH003629-04] NR 62 TC 31 Z9 33 U1 0 U2 12 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD AUG PY 2007 VL 98 IS 2 BP 348 EP 365 DI 10.1093/toxsci/kfm119 PG 18 WC Toxicology SC Toxicology GA 194WR UT WOS:000248375000005 PM 17504771 ER PT J AU Villeneuve, DL Blake, LS Brodin, JD Greene, KJ Knoebl, I Miracle, AL Martinovic, D Ankley, GT AF Villeneuve, Daniel L. Blake, Lindsey S. Brodin, Jeffrey D. Greene, Katie J. Knoebl, Iris Miracle, Ann L. Martinovic, Dalma Ankley, Gerald T. TI Transcription of key genes regulating gonadal steroidogenesis in control and ketoconazole- or vinclozolin-exposed fathead minnows SO TOXICOLOGICAL SCIENCES LA English DT Article DE steroidogenesis inhibitor; antiandrogen; reproduction; gonad development; real-time PCR; testis ID FOLLICLE-STIMULATING-HORMONE; MESSENGER-RNA EXPRESSION; ADULT MALE-RAT; PIMEPHALES-PROMELAS; GONADOTROPINS; BRAIN; FSH; BIOSYNTHESIS; RECEPTORS; STEROIDS AB This study evaluated changes in the expression of steroidogenesis-related genes in male fathead minnows exposed to ketoconazole (KTC) or vinclozolin (VZ) for 21 days. The aim was to evaluate links between molecular changes and higher level outcomes after exposure to endocrine-active chemicals (EACs) with different modes of action. To aid our analysis and interpretation of EAC-related effects, we first examined variation in the relative abundance of steroidogenesis-related gene transcripts in the gonads of male and female fathead minnows as a function of age, gonad development, and spawning status, independent of EAC exposure. Gonadal expression of several genes varied with age and/or gonadal somatic index in either males or females. However, with the exception of aromatase, steroidogenesis-related gene expression did not vary with spawning status. Following the baseline experiments, expression of the selected genes in male fathead minnows exposed to KTC or VZ was evaluated in the context of effects observed at higher levels of organization. Exposure to KTC elicited changes in gene transcription that were consistent with an apparent compensatory response to the chemical's anticipated direct inhibition of steroidogenic enzyme activity. Exposure to VZ, an antiandrogen expected to indirectly impact steroidogenesis, increased pituitary expression of follicle-stimulating hormone beta-subunit as well as testis expression of 20 beta-hydroxysteroid dehydrogenase and luteinizing hormone receptor transcripts. Results of this study contribute to ongoing research aimed at understanding responses of the teleost hypothalamic-pituitary-gonadal axis to different types of EACs and how changes in molecular endpoints translate into apical outcomes reflective of either adverse effect or compensation. C1 US EPA, ORD, NHEERL, Mid Continent Ecol Div, Duluth, MN 55804 USA. US EPA, ORD, NERL, Ecol Exposure Res Div, Cincinnati, OH 45268 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Villeneuve, DL (reprint author), US EPA, ORD, NHEERL, Mid Continent Ecol Div, 6201 Congdon Blvd, Duluth, MN 55804 USA. EM villeneuve.dan@epa.gov OI Martinovic-Weigelt, Dalma/0000-0002-9973-4965 NR 51 TC 65 Z9 66 U1 5 U2 14 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD AUG PY 2007 VL 98 IS 2 BP 395 EP 407 DI 10.1093/toxsci/kfm124 PG 13 WC Toxicology SC Toxicology GA 194WR UT WOS:000248375000008 PM 17517826 ER PT J AU Lu, B Kerepesi, L Wisse, L Hitchman, K Meng, QXR AF Lu, Binbin Kerepesi, Laura Wisse, Lynne Hitchman, Keith Meng, Quanxin Ryan TI Cytotoxicity and gene expression profiles in cell cultures exposed to whole smoke from three types of cigarettes SO TOXICOLOGICAL SCIENCES LA English DT Article DE cigarette smoke; cytotoxicity; gene profiling; biomarkers ID ELECTRICALLY HEATED CIGARETTE; HEME OXYGENASE-1 GENE; TOXICOLOGICAL EVALUATION; MAINSTREAM SMOKE; LUNG FIBROBLASTS; CHEMICAL-COMPOSITION; EPITHELIAL-CELLS; CYTOCHROMES P450; HARM REDUCTION; WOOD SMOKE AB The purpose of this study was to evaluate and compare the cytotoxicity and gene expression profiles in cell cultures exposed to whole smoke generated from a full flavor cigarette (Test 1), a low tar cigarette (Test 2), and an ultra-low tar cigarette (Test 3). In addition, a reference cigarette 2R4F was evaluated for cytotoxicity. Neutral red (NR) cytotoxicity assay was performed to determine relative cell death at each exposure concentration (n = 6). LC50 was generated using wet total particular matter (WTPM), cigarette number, or nicotine concentrations. The overall order of cytotoxicity was Test 1 >> 2R4F approximate to Test 2 > Test 3. Cell culture samples were collected for RNA extraction at WTPM concentrations of each cigarette that gave similar nicotine concentrations. Affymetrix mouse whole genome 430 2.0 array was used to characterize the gene expression profiles for each cigarette. A total of 598 genes in Test 1, 176 genes in Test 2, and 234 genes in Test 3 samples were differentially expressed compared to the concurrent sham controls. The major biological processes associated with the changed genes in Test 1 samples were down-regulated DNA replication and cell proliferation; the same biological processes were much less affected in Test 2 and Test 3 samples. The common findings in all three cigarettes types were increased glutathione biosynthesis/consumption. and inflammatory response, which are known biological effects caused by smoke exposure. The most significantly up-regulated genes were CYP1A1, GSTs, Hmox1, and Procr in smoke-exposed samples, which are either related to well-studied mechanisms of smoke exposure-related diseases or potential new biomarkers for assessing and monitoring biological effects of cigarette smoke exposure in vivo and in smokers. In summary, both the NR cytotoxicity assay and gene expression profiling were able to differentiate the three types of test cigarettes, and the results demonstrated reduced biological effects for the Test 2 and Test 3 cigarettes compared to the Test 1 cigarette in BALB/c-3T3 Cells. C1 Battlelle Toxicol NW, Richland, WA 99352 USA. Battelle Biotechnol, Columbus, OH 43201 USA. RP Meng, QXR (reprint author), Battlelle Toxicol NW, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM mengq@battelle.org NR 50 TC 19 Z9 21 U1 0 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD AUG PY 2007 VL 98 IS 2 BP 469 EP 478 DI 10.1093/toxsci/kfm112 PG 10 WC Toxicology SC Toxicology GA 194WR UT WOS:000248375000015 PM 17494027 ER PT J AU Choi, CJ Anantharam, V Saetveit, NJ Houk, RS Kanthasamy, A Kanthasamy, AG AF Choi, Christopher J. Anantharam, Vellareddy Saetveit, Nathan J. Houk, Robert S. Kanthasamy, Arthi Kanthasamy, Anumantha G. TI Normal cellular prion protein protects against manganese-induced oxidative stress and apoptotic cell death SO TOXICOLOGICAL SCIENCES LA English DT Article DE manganese; neurotoxicity; prion disease; metals; ROS; caspases ID KINASE-C-DELTA; CASPASE-3-DEPENDENT PROTEOLYTIC CLEAVAGE; SHOW ALTERED RESPONSE; COPPER-BINDING; DOPAMINERGIC CELLS; SPONGIFORM ENCEPHALOPATHIES; MITOCHONDRIAL DYSFUNCTION; NEURODEGENERATIVE DISEASES; SUPEROXIDE-DISMUTASE; ANTIOXIDANT FUNCTION AB The normal prion protein is abundantly expressed in the central nervous system, but its biological function remains unclear. The prion protein has octapeptide repeat regions that bind to several divalent metals, suggesting that the prion proteins may alter the toxic effect of environmental neurotoxic metals. In the present study, we systematically examined whether prion protein modifies the neurotoxicity of manganese (Mn) by comparing the effect of Mn on mouse neural cells expressing prion protein (PrPC -cells) and prion-knockout (PrPKO-cells). Exposure to Mn (10 mu M-10mM) for 24 h produced a dose-dependent cytotoxic response in both PrPC -cells and Prp(KO)-cells. Interestingly, PrPC -cells (EC50 117.6 mu M) were more resistant to Mn-induced cytotoxicity, as compared to PrPKo -cells (EC50 59.9 mu M), suggesting a protective role for PrPC against Mn neurotoxicity. Analysis of intracellular Mn levels showed less Mn accumulation in PrPC -cells as compared to PrPKO-cells, but no significant changes in the expression of the metal transporter proteins transferrin and DMT-1. Furthermore, Mn-induced mitochondrial depolarization and reactive oxygen species (ROS) generation were significantly attenuated in PrPC -cells as compared to PrPKO -cells. Measurement of antioxidant status revealed similar basal levels of glutathione (GSH) in PrPC -cells and PrPKO -cells; however, Mn treatment caused greater depletion of GSH in PrPKO -cells. Mn-induced mitochondrial depolarization and ROS production were followed by time- and dose-dependent activation of the apoptotic cell death cascade involving caspase-9 and -3. Notably, DNA fragmentation induced by both Mn treatment and the oxidative stress inducer hydrogen peroxide (100 mu M) was significantly suppressed in PrPC -cells as compared to PrPKo -cells. Together, these results demonstrate that prion protein interferes with divalent metal Mn uptake and protects against Mn-induced oxidative stress and apoptotic cell death. C1 Iowa State Univ, Iowa Ctr Adv Neurotoxicol, Dept Biomed Sci, Grad Program Neurosci,Coll Vet Med, Ames, IA 50011 USA. Iowa State Univ, Iowa Ctr Adv Neurotoxicol, Dept Biomed Sci, Toxicol Grad Program,Coll Vet Med, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Kanthasamy, A (reprint author), Iowa State Univ, Iowa Ctr Adv Neurotoxicol, Dept Biomed Sci, Grad Program Neurosci,Coll Vet Med, 2062 Vet Med Bldg, Ames, IA 50011 USA. EM akanthas@iastate.edu FU NIEHS NIH HHS [ES38664]; NINDS NIH HHS [R01 NS038644]; PHS HHS [W81XWH-05-1-0239] NR 100 TC 49 Z9 51 U1 1 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1096-6080 J9 TOXICOL SCI JI Toxicol. Sci. PD AUG PY 2007 VL 98 IS 2 BP 495 EP 509 DI 10.1093/toxsci/kfm099 PG 15 WC Toxicology SC Toxicology GA 194WR UT WOS:000248375000018 PM 17483122 ER PT J AU Weston, DJ Bauerle, WL AF Weston, David J. Bauerle, William L. TI Inhibition and acclimation of C-3 photosynthesis to moderate heat: a perspective from thermally contrasting genotypes of Acer rabrum (red maple) SO TREE PHYSIOLOGY LA English DT Article DE drummondii; genotypic variation; temperature inhibition ID RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE RUBISCO; GAS-EXCHANGE; TEMPERATURE-DEPENDENCE; WATER AVAILABILITY; ACTIVATION STATE; CARBON-DIOXIDE; QUANTUM YIELD; PIMA COTTON; PLANTS; LEAF AB Effects of moderate heat oil growth and photosynthesis were investigated in two clonal genotypes of Acer rubrum L., originally collected front the thermally contrasting habitats of Florida and Minnesota, USA, and known in the hortcultural trade for sensitivity and insensitivity to heat, respectively. Under both common garden and warm greenhouse conditions (day/niaht temperature of 33 /25 degrees C), the Florida genotype exhibited more -rowth than the Minnesota genotype. To determine the physiological parameters associated with this response, plants were acclimated to ambient (27/25 degrees C) or rnoderately elevated (33/25 degrees C) temperatures for 21 days before measurement of net photosynthesis at temperatures ranging from 25 to 48 degrees C. In vivo measurements of gas exchange and chlorophyll a fluorescence of ambient-acclirnated plants revealed that, compared with the Minnesota genotype, the Florida genotype maintained a higher photosynthetic rate, higher stomata] conductance, more open PSII reaction centers, a greater PSII quantam yield and a lower quantum requirement for photosystern II (phi(PSII)) per mole of CO2 fixed (phi (Co2)) throughout the measurement temperature range. When both genotypes were acclimated at 33/25 degrees C and measured at 33 degrees C,,enot\ pes wei analysis of the response of net photosynthesis to calculated intercellular CO, concentration indicated that the maximal rate of Rubisco carboxylation (V-cmax) decreased more in the Minnesota genotype than in the Florida genotype in response to elevated temperature. Additionally, phi(PSII),/phi(co2). at 33 degrees C was markedly hiaher for Minnesota plants under photorespiratory conditions. but similar to Florida plants under non-photorespiratory conditions. The results indicate that the higher net photosvnthetic rate at 33/25 degrees C of the Florida genotype compared with the Minnesota genotype could be a result of several mechanisms. including the maintenance of a hi-her V-cmax and a more efficient quantum requirement of PSII per mole of CO, fixed. which is likely the result of lower photorespiration. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Clemson Univ, Dept Hort, Clemson, SC 29634 USA. Clemson Univ, Dept Forestry & Nat Resources, Clemson, SC 29634 USA. RP Weston, DJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM wivestondj@ornl.gov RI Weston, David/A-9116-2011 OI Weston, David/0000-0002-4794-9913 NR 54 TC 28 Z9 29 U1 2 U2 12 PU HERON PUBLISHING PI VICTORIA PA 202, 3994 SHELBOURNE ST, VICTORIA, BC V8N 3E2, CANADA SN 0829-318X J9 TREE PHYSIOL JI Tree Physiol. PD AUG PY 2007 VL 27 IS 8 BP 1083 EP 1092 PG 10 WC Forestry SC Forestry GA 200CF UT WOS:000248740800002 PM 17472935 ER PT J AU Deptuch, G Besson, A Rehak, P Szelezniak, M Wall, J Winter, M Zhu, Y AF Deptuch, G. Besson, A. Rehak, P. Szelezniak, M. Wall, J. Winter, M. Zhu, Y. TI Direct electron imaging in electron microscopy with monolithic active pixel sensors SO ULTRAMICROSCOPY LA English DT Article DE monolithic active pixel sensors; electron microscopy; direct detection; imaging; pixel detectors ID CHARGED-PARTICLE TRACKING; MODULATION TRANSFER-FUNCTION; TECHNOLOGY; RESOLUTION; DETECTORS; DESIGN AB A new imaging device for dynamic electron microscopy is in great demand. The detector should provide the experimenter with images having sufficient spatial resolution at high speed. Immunity to radiation damage, accumulated during exposures, is critical. Photographic film, a traditional medium, is not adequate for studies that require large volumes of data or rapid recording and charge coupled device (CCD) cameras have limited resolution, due to phosphor screen coupling. CCD chips are not suitable for direct recording due to their extreme sensitivity to radiation damage. This paper discusses characterization of monolithic active pixel sensors (MAPS) in a scanning electron microscope (SEM) as well as in a transmission electron microscope (TEM). The tested devices were two versions of the MIMOSA V (MV) chip. This 1 M pixel device features pixel size of 17 x 17 mu m 2 and was designed in a 0.6 mu m CMOS process. The active layer for detection is a thin (less than 20 pm) epitaxial layer, limiting the broadening of the electron beam. The first version of the detector was a standard imager with electronics, passivation and interconnection layers on top of the active region; the second one was bottomthinned, reaching the epitaxial layer from the bottom. The electron energies used range from a few keV to 30 keV for SEM and from 40 to 400 keV for TEM. Deterioration of the image resolution due to backscattering was quantified for different energies and both detector versions. (C) 2007 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Strasbourg 1, CNRS, IN2P3, IPHC, F-67037 Strasbourg 02, France. RP Deptuch, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM deptuch@ieee.org FU NIBIB NIH HHS [P41 EB 002181-25] NR 23 TC 40 Z9 40 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2007 VL 107 IS 8 BP 674 EP 684 DI 10.1016/j.ultramic.2007.01.003 PG 11 WC Microscopy SC Microscopy GA 174JA UT WOS:000246937000015 PM 17346890 ER PT J AU Hackenberg, RE Field, RD Papin, PA Cooley, JC Teter, DF AF Hackenberg, Robert E. Field, Robert D. Papin, Pallas A. Cooley, Jason C. Teter, David F. TI Site-specific fracture plane determination using the FIB/TEM SO ULTRAMICROSCOPY LA English DT Article DE focused ion beam (FIB); fracture surface; transmission electron microscopy (TEM) ID FACETS AB A new method for the determination of the crystallographic indices of planar fracture surfaces is described. The key innovation is the use of a focused ion beam instrument to extract two transmission electron microscopy (TEM) foils from the fracture surface. Selected area diffraction of these foils in the TEM allows the determination of the fracture plane from the cross product of two crystallographic line directions contained within the plane. This allows the indices to be determined from relatively small fracture surfaces, affording fracture plane determinations from facets on polycrystalline samples. The validation of this method using cleavage fracture in pure zinc is described. (C) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Hackenberg, RE (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Mail Stop G770, Los Alamos, NM 87545 USA. EM roberth@lanl.gov RI Cooley, Jason/E-4163-2013; OI Hackenberg, Robert/0000-0002-0380-5723 NR 7 TC 2 Z9 2 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD AUG PY 2007 VL 107 IS 8 BP 698 EP 702 DI 10.1016/j.ultramic.2007.01.008 PG 5 WC Microscopy SC Microscopy GA 174JA UT WOS:000246937000018 PM 17350170 ER PT J AU Goldberg, S Criscenti, LJ Turner, DR Davis, JA Cantrell, KJ AF Goldberg, Sabine Criscenti, Louise J. Turner, David R. Davis, James A. Cantrell, Kirk J. TI Adsorption - Desorption processes in subsurface reactive transport modeling SO VADOSE ZONE JOURNAL LA English DT Review ID X-RAY-ABSORPTION; CONSTANT CAPACITANCE MODEL; OXIDE-WATER INTERFACE; SURFACE-COMPLEXATION MODELS; ELECTRICAL DOUBLE-LAYER; BOND-VALENCE DETERMINATION; HYDROLYZABLE METAL-IONS; DENSITY-FUNCTIONAL CALCULATIONS; CHROMATE RETENTION MECHANISMS; ALUMINA ELECTROLYTE INTERFACE AB Adsorption-desorption reactions are important processes that affect the transport of contaminants in the environment. Various empirical approaches, such as the distribution coefficient and Freundlich and Langmuir isotherm equations, have been used to represent adsorption. The empirical approaches are not capable of accounting for the effects of variable chemical conditions, such as pH, on adsorption reactions. This can be done using chemical models such as surface complexation models. These models define specific surface species, chemical reactions, equilibrium constants, mass balances, and charge balances, and their molecular features can be given thermodynamic significance. Ion adsorption mechanisms and surface configurations for the surface complexation models can be established from independent experimental observations. These include both indirect measurements, such as point of zero charge shifts, ionic strength effects, and calorimetry, and direct spectroscopic techniques, including vibrational spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and X-ray absorption spectroscopy. Surface complexation models were developed for single mineral phases but have now been applied to natural mineral assemblages using both component additivity (CA) and generalized composite (GC) approaches. Surface complexation models have been incorporated into subsurface transport models at several field sites, although simplifying assumptions are needed to deal with heterogeneous materials. Surface complexation models for contaminant adsorption have the potential to increase the confidence and scientific credibility of transport modeling by reducing the uncertainty in quantifying retardation and providing a means of quantifying that uncertainty. C1 USDA ARS, US Salin Lab, Riverside, CA 92507 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Ctr Nucl Waste Regulatory Anal, San Antonio, TX 78284 USA. US Geol Survey, Menlo Pk, CA 94025 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Goldberg, S (reprint author), USDA ARS, US Salin Lab, 450W Big Springs Rd, Riverside, CA 92507 USA. EM sgoldberg@ussl.ars.usda.gov NR 274 TC 53 Z9 55 U1 7 U2 66 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2007 VL 6 IS 3 BP 407 EP 435 DI 10.2136/vzj2006.0085 PG 29 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 204AP UT WOS:000249015500001 ER PT J AU Lenhard, RJ Meakin, P AF Lenhard, R. J. Meakin, P. TI Water behavior in layered porous media with discrete flow channels: Results of a large-scale experiment SO VADOSE ZONE JOURNAL LA English DT Article ID FRACTURE-MATRIX NETWORK; UNSATURATED FLOW; PREFERENTIAL FLOW; TRANSPORT; SEEPAGE; SYSTEMS; PHYSICS; TUFFS AB A meter-scale experimental system (2-m high by 2-m deep by 3-m wide) was used to investigate the behavior of water in a model system consisting of two unconsolidated sediment layers separated by a layer containing discrete flow channels. Stainless steel tubes were inserted vertically through a clayey matrix to represent the discrete flow-channel layer. The experimental system was well characterized, and results from water infiltration experiments were analyzed. A time series of water arrival at a network of 86 probes located in the unconsolidated sediment layers is presented, as well as water pressure histories at specific locations. Some probes were located at opposite ends of the flow channels to assess water migration through the discrete flow-channel layer. Analyses of the experimental results focused on capillary break phenomenon at the interface between the overlying unconsolidated layer and the underlying discrete flow channels. Dissimilar water pressure histories were measured at probes near the upper boundary of the discrete flow-channel layer, suggesting varied and complex water flow behavior. At some locations, a steady or periodic "leaking" of water through the discrete flow channels appeared to occur, contrary to capillary break theory. The authors advocate larger-scale experiments to advance our understanding and ability to model fluid flow across a wide range of spatial and temporal scales. C1 SW Res Inst, San Antonio, TX 78238 USA. Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Lenhard, RJ (reprint author), SW Res Inst, San Antonio, TX 78238 USA. EM rlenhard@swri.org NR 39 TC 0 Z9 0 U1 0 U2 4 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2007 VL 6 IS 3 BP 458 EP 470 DI 10.2136/vzj2006.0125 PG 13 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 204AP UT WOS:000249015500004 ER PT J AU Oostrom, M Dane, JH Wietsma, TW AF Oostrom, M. Dane, J. H. Wietsma, T. W. TI A review of multidimensional, multifluid, intermediate-scale experiments: Flow behavior, saturation imaging, and tracer detection and quantification SO VADOSE ZONE JOURNAL LA English DT Review ID NONAQUEOUS-PHASE LIQUID; HETEROGENEOUS POROUS-MEDIA; GOVERNING MULTIPHASE FLOW; SYNCHROTRON X-RAYS; LABORATORY EXPERIMENTS; PARTITIONING TRACER; VADOSE ZONE; PERFORMANCE ASSESSMENT; LIGHT TRANSMISSION; DNAPL MIGRATION AB A review is presented of original multidimensional, intermediate-scale experiments involving nonaqueous phase liquid (NAPL) flow behavior, imaging, and detection and quantification with solute tracers. In a companion paper (Oostrom et al., 2006a), experiments related to aqueous dissolution and enhanced remediation were discussed. The experiments investigating flow behavior include infiltration and redistribution experiments with both light and dense NAPLs in homogeneous and heterogeneous porous medium systems. The techniques used for NAPL saturation mapping for intermediate-scale experiments include photon-attenuation methods such as gamma and X-ray techniques, and photographic methods such as the light reflection, light transmission, and multispectral image analysis techniques. Solute tracer methods used for detection and quantification of NAPL in the subsurface are primarily limited to variations of techniques comparing the behavior of conservative and partitioning tracers. Besides a discussion of the experimental efforts, recommendations for future research at this laboratory scale are provided. C1 Pacific NW Natl Lab, Enivronm Technol Div, Richland, WA 99352 USA. Auburn Univ, Dept Agron & Soils, Auburn, AL 36849 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Oostrom, M (reprint author), Pacific NW Natl Lab, Enivronm Technol Div, POB 999,MS K9-33, Richland, WA 99352 USA. EM mart.oostrom@pnl.gov NR 121 TC 25 Z9 29 U1 4 U2 23 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2007 VL 6 IS 3 BP 610 EP 637 DI 10.2136/vzj2006.0178 PG 28 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 204AP UT WOS:000249015500020 ER PT J AU Liu, HH Zhang, YQ Molz, FJ AF Liu, H. H. Zhang, Y. Q. Molz, F. J. TI Scale dependence of the effective matrix diffusion coefficient: Some analytical results SO VADOSE ZONE JOURNAL LA English DT Article ID FRACTURED CRYSTALLINE ROCK; HYDRAULIC CONDUCTIVITY; POROUS-MEDIA; TRANSPORT; POROSITY AB Matrix diffusion is an important process affecting solute transport in fractured rock, and the matrix diffusion coefficient is a key parameter for describing this process. Previous studies have indicated that effective matrix diffusion coefficient values obtained from a number of field tracer tests are enhanced in comparison with local values and may increase with test scale. In this communication, we develop analytical expressions for the effective matrix diffusion coefficient for two simple fracture-matrix systems and demonstrate that heterogeneities in the rock matrix at different scales may contribute to the scale dependence of the effective matrix diffusion coefficient. C1 Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Clemson Univ, Dept Environm Sci & Engn, Clemson, SC USA. RP Liu, HH (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM hhliu@lbl.gov RI Zhang, Yingqi/D-1203-2015 NR 18 TC 10 Z9 10 U1 0 U2 5 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD AUG PY 2007 VL 6 IS 3 BP 679 EP 683 DI 10.2136/vzj2006.0140 PG 5 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 204AP UT WOS:000249015500024 ER PT J AU Um, W Mattigod, S Serne, RJ Fryxell, GE Kim, DH Troyer, LD AF Um, Wooyong Mattigod, Shas Serne, R. Jeffrey Fryxell, Glen E. Kim, Do Heui Troyer, Lyndsay D. TI Synthesis of nanoporous zirconium oxophosphate and application for removal of U(VI) SO WATER RESEARCH LA English DT Article DE adsorption; uranium; nanoporous materials; radionuclide; distribution coefficient; Hanford site ID MESOPOROUS MOLECULAR-SIEVES; RADIONUCLIDE MIGRATION; TITANIUM-DIOXIDE; PHOSPHATE; ADSORPTION; HYDROXYAPATITE; IMMOBILIZATION; URANIUM; OXIDE; ION AB Uniformly arrayed zirconium-phosphate nanoporous material was synthesized, characterized, and used as an adsorbent for removal of U(VI) in a NaNO3 solution with varying background conditions including pH, ionic strength, U(VI) concentrations, and carbonate concentrations. Batch U(VI) adsorption results showed that U(VI) adsorption reached steady-state condition within 48 h, and all the dissolved U(VI) (10(-6) M) was removed by this material at neutral pH and closed conditions to atmospheric CO2(g). The U(VI) adsorption followed a traditional Langmuir adsorption isotherm, and the distribution coefficient (Kd) calculated from the linear region of the Langmuir isotherm was 105,000 mL g(-1). Because this phosphate-bea ring nanoporous material exhibits high thermal stability and has a very high Kd value, it can be applied as an efficient adsorbent for removing U(VI) from various contaminated waste streams, such as those present at the US Department of Energy defense sites and the proposed geologic radioactive waste disposal facility at Yucca Mountain in Nevada. Published by Elsevier Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Um, W (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wooyong.um@pnl.gov RI Kim, Do Heui/I-3727-2015 NR 42 TC 30 Z9 32 U1 3 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0043-1354 J9 WATER RES JI Water Res. PD AUG PY 2007 VL 41 IS 15 BP 3217 EP 3226 DI 10.1016/j.watres.2007.05.030 PG 10 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA 198NK UT WOS:000248634600004 PM 17572470 ER PT J AU Appelo, D Kreiss, G AF Appeloe, Daniel Kreiss, Gunilla TI Application of a perfectly matched layer to the nonlinear wave equation SO WAVE MOTION LA English DT Article DE perfectly matched layer; PML; absorbing layers; Nonlinear waves ID RADIATION BOUNDARY-CONDITIONS; FORMULATION; STABILITY; SYSTEMS AB We derive a perfectly matched layer-like damping layer for the nonlinear wave equation. In the layer, only two auxiliary variables are needed. In the linear case the layer is perfectly matched, but in the nonlinear case it is not. Well posedness is established for the linear case. We also prove various energy estimates which can be used as a starting point for establishing stability of more general cases. In particular, we are able to show estimates for a special type of nonlinearity. Numerical experiments that show the effectiveness of the layer are presented both for nonlinear and linear problems. In the computations, we use an eighth order summation-by-parts discretization in space and implement the boundary conditions using a penalty procedure. We present new stability results for this discretization applied to the second order wave equation in the case with Dirichlet boundary conditions. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Ctr Appl & Sci Comp, Livermore, CA 94551 USA. Univ Uppsala, Div Comp Sci, Dept Informat Technol, S-75105 Uppsala, Sweden. RP Appelo, D (reprint author), Lawrence Livermore Natl Lab, Ctr Appl & Sci Comp, Livermore, CA 94551 USA. EM appelo2@llnl.gov NR 25 TC 14 Z9 16 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-2125 J9 WAVE MOTION JI Wave Motion PD AUG PY 2007 VL 44 IS 7-8 BP 531 EP 548 DI 10.1016/j.wavemoti.2007.01.004 PG 18 WC Acoustics; Mechanics; Physics, Multidisciplinary SC Acoustics; Mechanics; Physics GA 200SB UT WOS:000248782000001 ER PT J AU Tosten, MH West, SL Kanne, WR Cross, BJ AF Tosten, M. H. West, S. L. Kanne, W. R., Jr. Cross, B. J. TI Repair techniques for fusion reactor applications SO WELDING JOURNAL LA English DT Article DE stainless steel; GMAW; GTAW; overlay welds; helium embrittlement; porosity ID IRRADIATED STAINLESS-STEEL; CRACKING; HELIUM; GROWTH; WELDABILITY; STRESS; CREEP AB Fusion reactors, Such as the planned International Thermonuclear-Experimental Reactor, will require repair of irradiated components during their lifetime. Previous work has shown that welding, on irradiated material causes cracking in the weld heat-affected zone due to the presence of helium. In the current study, measurements of the effects of helium (from tritium decay) on the weldability of Types 304 and 316LN stainless steel were made. Low-heat-input gas metal arc weld overlays and a series of autogenous gas tungsten arc stringer beads were made on 0.5-in.- (12.7-mm-) thick 304 and 316LN plates that were tritium-charged, aged, and outgassed in the same pressure vessel. The helium concentrations of both plates, as determined by helium mass spectroscopy, were approximately 90 appm. Measurements from weld cross sections revealed more extensive intergranular cracking in the heat-affected zones of welds on the 304 plate when compared to those on the 316LN plate. Weld porosity was also much greater in welds on the 304 plate. The large differences in the amount of helium embrittlement cracking associated with the two types of stainless steel may be related to differences in the high-temperature creep resistance of the alloys and/or the helium bubble microstructures present in the materials before welding. Weld porosity differences were also observed and can be rationalized by using weld convection arguments. C1 Savannah River Natl Lab, Nucl Energy Programs, Washington, DC USA. Savannah River Co, Aiken, SC USA. RP Tosten, MH (reprint author), Savannah River Natl Lab, Nucl Energy Programs, Washington, DC USA. EM michael.tosten@srnl.doe.gov NR 18 TC 2 Z9 2 U1 0 U2 2 PU AMER WELDING SOC PI MIAMI PA 550 N W LEJEUNE RD, MIAMI, FL 33126 USA SN 0043-2296 J9 WELD J JI Weld. J. PD AUG PY 2007 VL 86 IS 8 BP 245S EP 252S PG 8 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 196NL UT WOS:000248489200013 ER PT J AU Petersen, C Lasagni, A Holzapfel, C Danield, C Mucklich, F Veith, M AF Petersen, C. Lasagni, A. Holzapfel, C. Danield, C. Muecklich, F. Veith, M. TI SEM/TEM characterization of periodical novel amorphous/nano-crystalline micro-composites obtained by laser interference structuring: The system HAlO-Al-Al2O3 SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT Symposium on Photon-Assisted Synthesis and Processing of Functional Materials held at the 2006 EMRS Spring Meeting CY MAY 29-JUN 02, 2006 CL Nice, FRANCE SP European Mat Res Soc DE characterization; nano-crystalline; HAlO film; Nd : YAG laser; interference; CVD ID CHEMICAL-VAPOR-DEPOSITION; THIN-FILMS; METALLURGY; ALUMINUM; SURFACES; HYDRIDES; GROWTH AB Layers of the metastable, amorphous HAIO are synthesized by chemical vapor deposilion from he molecular compound tert-buloxyalane (['Bu-O-AlH2](2)). At temperatures above 500 degrees C, these layers transform to biphasic Al center dot AlO3 due to the elimination of di-hydrogen. The interaction of HAIO films with short laser pulses causes partial transformation of amorphous HAIO into nano-crystalline Al center dot Al2O3. Using an interference pattern of two coherent high-power Nd:YAG laser beams produces local and periodic heating, inducing crystallization at equally distant lines in the HAlO layer. Depending on the laser fluence, different morphologies and different amounts of crystalline phases are obtained. In this study, the surface morphology and the distribution of crystalline phases of the structured samples are analyzed using SEM, FIB and TEM. The two-dimensional structures consist of periodic variations of morphology, chemical composition, and phase identity with a well-defined long-range order. When bio-functionalized, the structured samples may be used as carriers for structurally controlled cell-cultivation. (c) 2007 Elsevier B.V. All rights reserved. C1 Leibniz Inst Neue Mat, CVD Technol, D-66123 Saarbrucken, Germany. Univ Saarland, Inst Inorgan Chem, D-66123 Saarbrucken, Germany. Univ Saarland, Dept Mat Sci, D-66123 Saarbrucken, Germany. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Petersen, C (reprint author), St Gobain Sekurit Deutschland GmbH & Co KG, ZAF DS CVD, D-52134 Herzogenrath, Germany. EM Christian.B.Petersen@gmail.com RI Daniel, Claus/A-2060-2008 OI Daniel, Claus/0000-0002-0571-6054 NR 18 TC 4 Z9 4 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JUL 31 PY 2007 VL 253 IS 19 BP 8022 EP 8027 DI 10.1006/j.apsusc.2007.02.077 PG 6 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 204CI UT WOS:000249020500075 ER PT J AU Hoche, D Rapin, G Kaspar, J Shinn, M Schaaf, P AF Hoeche, D. Rapin, G. Kaspar, J. Shinn, M. Schaaf, P. TI Free electron laser nitriding of metals: From basis physics to industrial applications SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT Symposium on Photon-Assisted Synthesis and Processing of Functional Materials held at the 2006 EMRS Spring Meeting CY MAY 29-JUN 02, 2006 CL Nice, FRANCE SP European Mat Res Soc DE laser surface treatment; nitrides; laser plasma; reactive laser treatment; laser nitriding; titanium ID TITANIUM AB Titanium was laser nitrided by means of free-electron laser irradiation in pure nitrogen atmosphere. The variation of pulse frequency and macropulse duration of the free electron laser resulted in delta-TiNx coatings with different thickness and different micro- and macroscopic morphologies. The coatings revealed, characteristic values for hardness, roughness and crystallographic texture, which originate from the growth mechanism, the solid-liquid interface energy and the strain. Further investigations showed that the dendritic growth is beginning at the surface and that the alignment of dendrites is normal to the surface. A correlation of the texture with the time structure of the laser pulses was found. Numerical simulations were performed and compared with the experimental results. The simulations can explain the experimental results. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Gottingen, Inst Phys 2, D-37077 Gottingen, Germany. Univ Gottingen, Inst Numer & Angew Math, D-37083 Gottingen, Germany. Fraunhofer Inst Werkstoff & Strahltech, D-01277 Dresden, Germany. Thomas Jefferson Natl Accelerator Facil, Free Elect Laser Grp, Newport News, VA 23606 USA. RP Schaaf, P (reprint author), Univ Gottingen, Inst Phys 2, Friedrich Hund Pl 1, D-37077 Gottingen, Germany. EM pschaaf@uni-goettingen.de RI Hoche, Daniel/G-8556-2013; Schaaf, Peter/B-4934-2009 OI Hoche, Daniel/0000-0002-7719-6684; Schaaf, Peter/0000-0002-8802-6621 NR 6 TC 13 Z9 13 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JUL 31 PY 2007 VL 253 IS 19 BP 8041 EP 8044 DI 10.1016/j.apsusc.2007.02.170 PG 4 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 204CI UT WOS:000249020500079 ER PT J AU Nunez-Sanchez, S Serna, R de Castro, MJ Lopez, JG Petford-Long, AK Morhange, JF AF Nunez-Sanchez, S. Serna, R. de Castro, M. Jimenez Lopez, J. Garcia Petford-Long, A. K. Morhange, J. F. TI Vanadium-Al2O3 nanostructured thin films prepared by pulsed laser deposition: Optical switching SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT Symposium on Photon-Assisted Synthesis and Processing of Functional Materials held at the 2006 EMRS Spring Meeting CY MAY 29-JUN 02, 2006 CL Nice, FRANCE SP European Mat Res Soc DE nanoparticles; vanadium; pulsed laser deposition; optical switching ID RAMAN-SPECTROSCOPY; NANOCRYSTALS; TRANSITION; OXIDES AB The formation and optical response of VOx nanoparticles embedded in amorphous aluminium oxide (Al2O3) thin films by pulsed laser deposition is studied. The thin films have been grown by alternate laser ablation of V and Al2O3 targets, which has resulted in a multilayer structure with embedded nanoparticles. The V content has been varied by changing the number of pulses on the V target. It is found that VOx nanoparticles with dimensions around 5 nm have been formed. The structural analysis shows that the vanadium nanoparticles are oxidized, although probably there is not a unique oxide phase for each sample. The films show a different optical response depending on their vanadium content. Optical switching as a function of temperature has been observed for the two films with the highest vanadium content, at transition temperatures of about -20 degrees C and 315 degrees C thus suggesting the presence of nanoparticles with compositions V4O7 and V2O5, respectively. (c) 2007 Elsevier B.V. All rights reserved. C1 CSIC, Inst Opt, E-28006 Madrid, Spain. Ctr Nacl Aceleradores, Seville 41092, Spain. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Paris 06, INSP, UMR 7588, F-75005 Paris, France. RP Nunez-Sanchez, S (reprint author), CSIC, Inst Opt, Serrano 121, E-28006 Madrid, Spain. EM nusa66@io.cfmac.csic.es RI Serna, Rosalia/C-6013-2011; Petford-Long, Amanda/P-6026-2014; Jimenez de Castro, Miguel/H-6062-2015; Nunez-Sanchez, Sara/A-3796-2016 OI Serna, Rosalia/0000-0002-7101-3947; Petford-Long, Amanda/0000-0002-3154-8090; Jimenez de Castro, Miguel/0000-0002-2816-0394; Nunez-Sanchez, Sara/0000-0002-5435-6892 NR 14 TC 2 Z9 2 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD JUL 31 PY 2007 VL 253 IS 19 BP 8136 EP 8140 DI 10.1016/j.apsusc.2007.02.123 PG 5 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 204CI UT WOS:000249020500098 ER PT J AU Kang, K AF Kang, Kyongha TI MnBi nanoparticles with perpendicular magnetic anisotropy SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article DE MnBi nanoparticle; alignment; field annealing; perpendicular magnetic anisotropy ID PHASE; FILMS; SOLIDIFICATION; FIELD AB A ribbon of a Mn-Bi meta-stable phase was fabricated by melt-spinning a Bi-rich Mn-Bi alloy (Mn10Bi90). Employing magnetic field heating to an as-spun sample up to 530 K in a magnetic field of 10 kOe results in a highly c-axis preferred orientation, showing the remanence magnetization ratio M-r/Ms approximate to 1.0 on the demagnetization curve for the heat-treated sample. The magnetic field heating also produces the c-axis preferred orientation in an ex situ annealed sample composed of MnBi particles with a random c-axis orientation. Investigating magnetization change upon changing the heating temperature suggests that MnBi particle rotation at an optimized heating temperature plays an important role in aligning the c-axis along the applied field. (c) 2006 Elsevier B.V.. All rights reserved. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Kang, K (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. EM scro0199@hotmail.com NR 9 TC 5 Z9 5 U1 3 U2 30 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD JUL 31 PY 2007 VL 439 IS 1-2 BP 201 EP 204 DI 10.1016/j.jallcom.2006.04.079 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 180RL UT WOS:000247383300034 ER PT J AU Hamlin, T Light, TE Shao, XM Eack, KB Harlin, JD AF Hamlin, T. Light, T. E. Shao, X. M. Eack, K. B. Harlin, J. D. TI Estimating lightning channel characteristics of positive narrow bipolar events using intrachannel current reflection signatures SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ALAMOS SFERIC ARRAY; FREQUENCY RADIATION; ART.; EMISSIONS; VHF AB [1] A set of 133 positive narrow bipolar lightning events located by the Los Alamos Sferic Array (LASA) is examined. The events were selected because their fast electric field change (EFC) records show a secondary positive peak, following the primary positive peak, which is consistent with what would be expected for a propagating current pulse reflecting off an impedance discontinuity along a transmission line. With an assumed propagation speed, the time difference between the primary and secondary (reflected) peak in the field change record offers a direct technique for estimating the length of the discharge channel. If the signal amplitude is assumed to decay exponentially with time and that the reflection coefficient is near unity, the time difference between peaks and the ratio of their amplitudes yields an estimate of the temporal decay rate constant. Statistics on the 133 located events examined show an average peak-to-reflected-peak time of 6.7 mu s, a mean amplitude ratio estimate of 6.1, and an amplitude decay rate constant of 4.0 mu s. Bound by the speed of light, the upper limit on channel length for the typical positive narrow bipolar event (NBE) in this study is shown to be approximately 2 km. C1 Los Alamos Natl Lab, Space & Remote Sensing Grp, ISR 2, Los Alamos, NM 87545 USA. New Mexico Inst Min & Technol, Langmuir Lab, Socorro, NM 87801 USA. RP Hamlin, T (reprint author), Los Alamos Natl Lab, Space & Remote Sensing Grp, ISR 2, ISR 2 MS D436, Los Alamos, NM 87545 USA. EM thamlin@lanl.gov NR 18 TC 20 Z9 22 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 31 PY 2007 VL 112 IS D14 AR D14108 DI 10.1029/2007JD008471 PG 8 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 198AM UT WOS:000248599400017 ER PT J AU McFarlane, SA Mather, JH Ackerman, TP AF McFarlane, Sally A. Mather, James H. Ackerman, Thomas P. TI Analysis of tropical radiative heating profiles: A comparison of models and observations SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID MADDEN-JULIAN OSCILLATION; COMMUNITY CLIMATE MODEL; CLOUD-RESOLVING MODEL; CIRRUS CLOUDS; OPTICAL-PROPERTIES; ACCURATE PARAMETERIZATION; GCM PARAMETERIZATION; DIURNAL-VARIATION; WESTERN PACIFIC; NAURU ISLAND AB [1] The vertical distribution of radiative heating in the atmosphere is an important driver of atmospheric circulation. Evaluation of model simulations of the Earth's radiation budget typically focus only on performance at the top of the atmosphere or at the surface. In this study, we compare the vertical distribution of cloud properties and radiative heating rates calculated from observations at the Department of Energy's Atmospheric Radiation Measurement (ARM) sites on the islands of Nauru and Manus to simulations performed using the Multiscale Modeling Framework (MMF) and the Community Atmosphere Model (CAM). Significant differences are found in the vertical profiles and diurnal cycle of cloud amount, condensed water content, and cloud effect on heating rates between the two models and between the models and the observations. The differences in the heating rates between the models and ARM results depend partly on the details of the parameterization of effective radius and absorption coefficients used and partly on differences in cloud frequency, vertical location of clouds, and optical thickness. Since the same radiative model is used in the CAM and MMF, differences in the effect of clouds on heating rates between the two models are due to the differing treatment of cloud processes in the models and the interaction of clouds and radiation on the local scale in the MMF. C1 Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. Univ Washington, Joint Inst Study Atmosphere & Oceans, Seattle, WA 98195 USA. Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. RP McFarlane, SA (reprint author), Pacific NW Natl Lab, Climate Phys Grp, POB 999,MS K9-24, Richland, WA 99352 USA. EM sally.mcfarlane@pnl.gov RI McFarlane, Sally/C-3944-2008 NR 56 TC 43 Z9 45 U1 0 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 31 PY 2007 VL 112 IS D14 AR D14218 DI 10.1029/2006JD008290 PG 22 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 198AM UT WOS:000248599400014 ER PT J AU Tagaris, E Manomaiphiboon, K Liao, KJ Leung, LR Woo, JH He, S Amar, P Russell, AG AF Tagaris, Efthimios Manomaiphiboon, Kasemsan Liao, Kuo-Jen Leung, L. Ruby Woo, Jung-Hun He, Shan Amar, Praveen Russell, Armistead G. TI Impacts of global climate change and emissions on regional ozone and fine particulate matter concentrations over the United States SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID SECONDARY ORGANIC AEROSOLS; AIR-QUALITY; ISOPRENE; HEALTH; PHOTOOXIDATION; OXIDATION; PRODUCTS; AREAS; MODEL AB [1] Simulated future summers (i.e., 2049-2051) and annual (i.e., 2050) average regional O-3 and PM2.5 concentrations over the United States are compared with historic ( i.e., 2000-2002 summers and all of 2001) levels to investigate the potential impacts of global climate change and emissions on regional air quality. Meteorological inputs to the CMAQ chemical transport model are developed by downscaling the GISS Global Climate Model simulations using an MM5-based regional climate model. Future-year emissions for North America are developed by growing the U. S. EPA CAIR inventory, Mexican and Canadian emissions and by using the IMAGE model with the IPCC A1B emissions scenario that is also used in projecting future climate. Reductions of more than 50% in NOX and SO2 emissions are forecast. Impacts of global climate change alone on regional air quality are small compared to impacts from emission control-related reductions, although increases in pollutant concentrations due to stagnation and other factors are found. The combined effect of climate change and emission reductions lead to a 20% decrease (regionally varying from -11% to -28%) in the mean summer maximum daily 8-hour ozone levels (M8hO(3)) over the United States. Mean annual PM2.5 concentrations are estimated to be 23% lower (varies from -9% to -32%). Major reductions in sulfate, nitrate and ammonium PM2.5 components combined with the limited reduction in organic carbon suggests that organic carbon will be the dominant component of PM2.5 mass in the future. Regionally, the eastern United States benefits more than the rest of the regions from reductions in both M8hO(3) and PM2.5, because of both spatial variations in the meteorological and emissions changes. Reduction in the higher M8hO(3) concentrations is also estimated for all subregions and fewer days with M8hO(3) above the air quality standards in urban sites with Atlanta in the southeast benefiting most. C1 Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. NE State Coordinated Air Use Management, Boston, MA 02114 USA. RP Tagaris, E (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, 311 Ferst Dr, Atlanta, GA 30332 USA. EM ted.russell@ce.gatech.edu NR 38 TC 110 Z9 110 U1 6 U2 53 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 31 PY 2007 VL 112 IS D14 AR D14312 DI 10.1029/2006JD008262 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 198AM UT WOS:000248599400013 ER PT J AU Harper, JC Polsky, R Wheeler, DR Dirk, SM Brozik, SM AF Harper, Jason C. Polsky, Ronen Wheeler, David R. Dirk, Shawn M. Brozik, Susan M. TI Selective immobilization of DNA and antibody probes on electrode arrays: Simultaneous electrochemical detection of DNA and protein on a single platform SO LANGMUIR LA English DT Article ID DIAZONIUM SALTS; CARBON ELECTRODES; GOLD ELECTRODES; REDUCTION; SURFACES; FUNCTIONALIZATION; ATTACHMENT; DEPOSITION; MOLECULES AB A proof of concept procedure for the electroaddressable covalent immobilization of DNA and protein on arrayed electrodes along with simultaneous detection of multiple bioagents in the same sample solution is described. Carboxyphenyldiazonium was selectively deposited onto five of nine individually addressable electrodes in an array via bias assisted assembly. Amine functionalized DNA probes were covalently coupled to the carboxyl surface via carbodiimide chemistry. This was followed by the covalent immobilization of diazonium-antibody conjugates into the remaining four electrodes via cyclic voltammetry. Simultaneous electrochemical detection of a DNA sequence related to the breast cancer BRCA1 gene and the human cytokine protein interleukin-12, which is a substantial component in the immune system response and attack of tumor cells, is reported. These results demonstrate the possibility of selective patterning of diverse biomolecules on a single device and may have significant implications for future development of microarrays and biosensors. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brozik, SM (reprint author), Sandia Natl Labs, POB 5800,MS 0892, Albuquerque, NM 87185 USA. EM smbrozi@sandia.gov NR 20 TC 44 Z9 44 U1 3 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 31 PY 2007 VL 23 IS 16 BP 8285 EP 8287 DI 10.1021/la701775g PG 3 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 192UW UT WOS:000248229900001 PM 17602680 ER PT J AU Ismail, AE Grest, GS Stevens, MJ AF Ismail, Ahmed E. Grest, Gary S. Stevens, Mark J. TI Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers SO LANGMUIR LA English DT Article ID PROTEIN ADSORPTION; MOLECULAR SIMULATION; C(4X2) SUPERLATTICE; ALKANETHIOL MONOLAYERS; HYDROPHOBIC SURFACES; COMPUTER-SIMULATION; SHORT-RANGE; RESISTANCE; HYDRATION; HYDROGEN AB We performed molecular dynamics simulations of the oligo(ethylene oxide) (OEO) self-assembled monolayers in water to determine the nature of the systems' interfacial structure and dynamics. The density profiles, hydrogen bonding, and water dynamics are calculated as a function of the area per molecule A of OEO. At the highest coverages, the interface is hydrophobic, and a density drop is found at the interface. The interfacial region becomes more like bulk water as A increases. The OEO and water become progressively more mixed, and hydrogen bonding increases within the interfacial region. Water mobility is slower within the interfacial region, but not substantially. The implications of our results on the resistance of OEO SAMs to protein adsorption are discussed. Our principal result is that as A increases the increasingly waterlike interfacial region provides a more protein-resistant surface. This finding supports recent experimental measurements that protein resistance is maximal for less than full coverage on Au. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Ismail, AE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM aismail@sandia.gov RI Ismail, Ahmed/B-7790-2009 OI Ismail, Ahmed/0000-0001-9929-5598 NR 43 TC 22 Z9 22 U1 1 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 31 PY 2007 VL 23 IS 16 BP 8508 EP 8514 DI 10.1021/la700829r PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 192UW UT WOS:000248229900033 PM 17622160 ER PT J AU Teeter, G AF Teeter, Glenn TI CU2Te synthesis and in-vacuum thermal decomposition: Chemical-kinetics analysis and comparison to equilibrium vapor-pressure measurements SO THIN SOLID FILMS LA English DT Article DE in situ characterization; evaporation and sublimation; photovoltaics; surface chemical reaction; sur-face thermodynamics; thermal desorption; copper telluride; polycrystalline thin films ID CDTE/CDS SOLAR-CELLS; BACK CONTACT; CU; STABILITY; PERFORMANCE; SURFACE; COPPER AB In this study, polycrystalline Cu-foil substrates are exposed to elemental Te vapor at substrate temperatures below 373 K. Auger electron spectroscopy measurements indicate that copper-telluride films are formed at the substrate surface that have a 2: 1 Cu-to-Te ratio, as predicted by the Cu-Te phase diagram. When these films are annealed above about 700 K in vacuum, Te desorbs from the substrate with zero-order kinetics. An analysis of Te-desorption traces that assumes the reaction Cu2Te(s)-> 2Cu(s)+alpha Te(nu)+1/2(1-alpha)Te-2(nu) finds a thermal-decomposition activation energy of 217 3 U mol(-1). These Te-desorption data are compared to the Te impingement rate calculated from CU2Te equilibrium vapor-pressure data from the literature and found to be in excellent agreement. (C) 2007 Elsevier B.V All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Teeter, G (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd,Mail Stop 3218, Golden, CO 80401 USA. EM glenn_teeter@nrel.gov NR 18 TC 12 Z9 13 U1 2 U2 25 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 31 PY 2007 VL 515 IS 20-21 BP 7886 EP 7891 DI 10.1016/j.tsf.2007.04.045 PG 6 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 208GS UT WOS:000249308400026 ER PT J AU Timchalk, C Busby, A Campbell, JA Needham, LL Barr, DB AF Timchalk, Charles Busby, Andrea Campbell, James A. Needham, Larry L. Barr, Dana B. TI Comparative pharmacokinetics of the organophosphorus insecticide chlorpyrifos and its major metabolites diethylphosphate, diethylthiophosphate and 3,5,6-trichloro-2-pyridinol in the rat SO TOXICOLOGY LA English DT Article DE pharmacokinetics; chlorpyrifos; diethylthiophosphate; diethylphosphate; trichloropyridinol ID PESTICIDE EXPOSURE; PRESCHOOL-CHILDREN; MASS-SPECTROMETRY; FETAL-GROWTH; POPULATION; PHOSPHATE; PREGNANCY; URINE; LIVER; PHOSPHOROTHIOATE AB Chlorpyrifos (CPF) is a commonly used diethylphosphorothionate organophosphorus (OP) insecticide. Diethyl phosphate (DEP), diethylthiophosphate (DETP) and 3,5,6-trichloro-2-pyridinol (TCPy) are products of metabolism and of environmental degradation of CPF and are routinely measured in urine as biomarkers of exposure. However, because these same chemicals can result from metabolism or by biodegradation, monitoring total urinary metabolite levels may be reflective of not only an individual's contact with the parent pesticide, but also exposure with the metabolites, which are present in the environment. The objective of the current study was to compare the pharmacokinetics of orally administered DEP, DETP and TCPy with their kinetics following oral dosing with the parent insecticide CPF in the rat. Groups of rats were orally administered CPF, DEP, TCPy or DETP at doses of 140 mu mol/kg body weight, and the time-courses of the metabolites were evaluated in blood and urine. Following oral administration, all three metabolites were well absorbed with peak blood concentrations being attained between 1 and 3 h post-dosing. In the case of DEP and TCPy virtually all the administered dose was recovered in the urine by 72 h post-dosing, suggesting negligible, if any, metabolism; whereas with DETP, similar to 50% of the orally administered dose was recovered in the urine. The CPF oral dose was likewise rapidly absorbed and metabolized to DEP, TCPy and DETP, with the distribution of metabolites in the urine followed the order: TCPy (22 +/- 3 mu mol) > DETP (144 +/- 2 mu mol) > DEP (1.4 +/- 0.7 mu mol). Based upon the total amount of TCPy detected in the urine a minimum of 63% of the oral CPF dose was absorbed. These studies support the hypotheses that DEP, DETP and TCPy present in the environment can be readily absorbed and eliminated in the urine of rats and potentially humans. (c) 2007 Elsevier Ireland Ltd. All rights reserved. C1 Pacific NW Natl Lab, Ctr Biol Monitoring & Modelling, Richland, WA 99352 USA. Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA. RP Timchalk, C (reprint author), Pacific NW Natl Lab, Ctr Biol Monitoring & Modelling, MSIN-P7-59,902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM charles.timchalk@pnl.gov RI Needham, Larry/E-4930-2011; Barr, Dana/E-6369-2011; Barr, Dana/E-2276-2013 FU NIDCR NIH HHS [DE-AC05-76RL01830]; NIOSH CDC HHS [R01 OH008173-01] NR 35 TC 47 Z9 49 U1 1 U2 18 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD JUL 31 PY 2007 VL 237 IS 1-3 BP 145 EP 157 DI 10.1016/j.tox.2007.05.007 PG 13 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 200DD UT WOS:000248743200014 PM 17590257 ER PT J AU Alberi, K Dubon, OD Walukiewicz, W Yu, KM Bertulis, K Krotkus, A AF Alberi, K. Dubon, O. D. Walukiewicz, W. Yu, K. M. Bertulis, K. Krotkus, A. TI Valence band anticrossing in GaBixAs1-x SO APPLIED PHYSICS LETTERS LA English DT Article ID TEMPERATURE-DEPENDENCE; GAAS1-XBIX; SPECTROSCOPY; GROWTH; GAP AB The optical properties of GaBixAs1-x(0.04 < x < 0.08) grown by molecular beam epitaxy have been studied by photomodulated reflectance spectroscopy. The alloys exhibit a strong reduction in the band gap as well as an increase in the spin-orbit splitting energy with increasing Bi concentration. These observations are explained by a valence band anticrossing model, which shows that a restructuring of the valence band occurs as the result of an anticrossing interaction between the extended states of the GaAs valence band and the resonant T-2 states of the Bi atoms. (c) 2007 American Institute of Physics. 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. Inst Semicond Phys, LT-01108 Vilnius, Lithuania. RP Alberi, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM w_walukiewicz@ibl.gov RI Yu, Kin Man/J-1399-2012 OI Yu, Kin Man/0000-0003-1350-9642 NR 12 TC 164 Z9 166 U1 2 U2 42 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 30 PY 2007 VL 91 IS 5 AR 051909 DI 10.1063/1.2768312 PG 3 WC Physics, Applied SC Physics GA 197ZJ UT WOS:000248595800037 ER PT J AU Chen, JM Chen, CK Chou, TL Jarrige, I Ishii, H Lu, KT Cai, YQ Liang, KS Lee, JM Huang, SW Yang, TJ Shen, CC Liu, RS Lin, JY Jeng, HT Kao, CC AF Chen, J. M. Chen, C. K. Chou, T. L. Jarrige, I. Ishii, H. Lu, K. T. Cai, Y. Q. Liang, K. S. Lee, J. M. Huang, S. W. Yang, T. J. Shen, C. C. Liu, R. S. Lin, J. Y. Jeng, H. T. Kao, C.-C. TI Resonant x-ray emission spectroscopy of multiferroic TbMnO3 SO APPLIED PHYSICS LETTERS LA English DT Article ID POLARIZATION AB The Mn 3d valence states in single-crystalline TbMnO3 were probed using x-ray absorption spectroscopy and resonant x-ray emission spectroscopy (RXES). The polarized Mn K-edge x-ray absorption spectra show a strong polarization dependence, particularly for the white line region, indicating the strong anisotropic Mn-O bonding within the ab plane in TbMnO3. The RXES data obtained at the Mn K edge clearly reveal that unoccupied Mn 3d states exhibit a relatively delocalized character, stemming from hybridization of the Mn 3d states with the neighboring Mn 4p orbitals. The authors demonstrated that resonant x-ray emission spectroscopy is able to characterize the degree of localization of the unoccupied states or hole carriers in manganites. C1 Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 30076, Taiwan. Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan. Natl Chiao Tung Univ, Inst Phys, Hsinchu 30076, Taiwan. Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Chen, JM (reprint author), Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. EM jmchen@nsrrc.org.tw RI Cai, Yong/C-5036-2008; Liu, Ru-Shi/A-6796-2010; Jarrige, Ignace/M-6371-2016 OI Cai, Yong/0000-0002-9957-6426; Liu, Ru-Shi/0000-0002-1291-9052; Jarrige, Ignace/0000-0002-1043-5695 NR 21 TC 10 Z9 10 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2007 VL 91 IS 5 AR 054108 DI 10.1063/1.2762288 PG 3 WC Physics, Applied SC Physics GA 197ZJ UT WOS:000248595800129 ER PT J AU Chen, ZJ Feldmann, DM Larbalestier, DC Holesinger, TG Li, X Zhang, W Rupich, MW AF Chen, Z. J. Feldmann, D. M. Larbalestier, D. C. Holesinger, T. G. Li, X. Zhang, W. Rupich, M. W. TI Top-down and bottom-up through-thickness current anisotropy in a bilayer YBa2Cu3O7-x film SO APPLIED PHYSICS LETTERS LA English DT Article ID CRITICAL-CURRENT DENSITY; GRAIN-BOUNDARY NETWORKS; COATED CONDUCTORS; YBCO FILMS; THIN-FILMS; METALORGANIC DEPOSITION; SUPERCONDUCTOR; TEXTURE AB The authors find the critical current anisotropy of a bilayer YBa2Cu3O7-delta film with different pinning structures in each layer is the sum of the anisotropy of the two individual layers, revealing that it is possible to tune the anisotropy of the composite through variation of an individual layer's thickness and pinning structure. YBa2Cu4Ox intergrowths and Dy2O3 nanodots were the dominant pinning structures in the top and bottom layers, respectively. The bottom layer of the composite was isolated using traditional Ar+ ion milling and the top layer was isolated using a focused ion beam, allowing each layer to be studied independently. (c) 2007 American Institute of Physics. C1 Univ Wisconsin, Madison, WI 53706 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Amer Superconductor, Westborough, MA 01581 USA. RP Chen, ZJ (reprint author), Florida State Univ, Natl High Magnet Field Lab, 2031 E Paul Dirac Dr, Tallahassee, FL 32310 USA. EM dmfeldmann@lanl.gov RI Chen, Zhijun/D-2871-2009; Larbalestier, David/B-2277-2008 OI Larbalestier, David/0000-0001-7098-7208 NR 23 TC 13 Z9 13 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 30 PY 2007 VL 91 IS 5 AR 052508 DI 10.1063/1.2767772 PG 3 WC Physics, Applied SC Physics GA 197ZJ UT WOS:000248595800072 ER PT J AU Jayakumar, OD Gopalakrishnan, IK Kulshreshtha, SK Gupta, A Rao, KV Louzguine-Luzgin, DV Inoue, A Glans, PA Guo, JH Samanta, K Singh, MK Katiyar, RS AF Jayakumar, O. D. Gopalakrishnan, I. K. Kulshreshtha, S. K. Gupta, Amita Rao, K. V. Louzguine-Luzgin, D. V. Inoue, A. Glans, P.-A. Guo, J.-H. Samanta, K. Singh, M. K. Katiyar, R. S. TI Structural and magnetic properties of (In1-xFex)(2)O-3 (0.0 <= x <= 0.25) system: Prepared by gel combustion method SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; DOPED ZNO; TEMPERATURE FERROMAGNETISM; OXIDE SEMICONDUCTORS; ROOM-TEMPERATURE; BULK; CU AB (In1-xFex)(2)O-3 polycrystalline samples with x=(0.0,0.05,0.10,0.15,0.20, and 0.25) have been synthesized by a gel combustion method. Reitveld refinement analysis of x-ray diffraction data indicated the formation of single phase cubic bixbyite structure without any parasitic phases. This observation is further confirmed by high resolution transmission electron microscopy imaging, indexing of the selected-area electron diffraction patterns, x-ray absorption spectroscopy, and Raman Spectroscopy. dc magnetization studies as a function of temperature and field indicate that they are ferromagnetic with Curie temperature (T-C) well above room temperature. (c) 2007 American Institute of Physics. C1 Bhabha Atom Res Ctr, Div Chem, Bombay 400085, Maharashtra, India. Royal Inst Technol, Dept Mat Sci Tmfy MSE, SE-10044 Stockholm, Sweden. Tohoku Univ, Inst Mat Res, Sendai, Miyagi 980, Japan. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Univ Puerto Rico, Dept Phys, Rio Piedras, PR 00931 USA. RP Gopalakrishnan, IK (reprint author), Bhabha Atom Res Ctr, Div Chem, Bombay 400085, Maharashtra, India. EM ikgopal@barc.gov.in RI LOUZGUINE, Dmitri/D-2492-2010; Rao, K.V./F-4577-2011; Inoue, Akihisa/E-5271-2015; Glans, Per-Anders/G-8674-2016 OI LOUZGUINE, Dmitri/0000-0001-5716-4987; NR 24 TC 44 Z9 44 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 30 PY 2007 VL 91 IS 5 AR 052504 DI 10.1063/1.2757589 PG 3 WC Physics, Applied SC Physics GA 197ZJ UT WOS:000248595800068 ER PT J AU Suh, JO Tu, KN Tamura, N AF Suh, J. O. Tu, K. N. Tamura, N. TI Dramatic morphological change of scallop-type Cu6Sn5 formed on (001) single crystal copper in reaction between molten SnPb solder and Cu SO APPLIED PHYSICS LETTERS LA English DT Article ID TIN; JOINTS AB Wetting reaction between molten Sn-based solders and Cu produces scallop-type Cu6Sn5. In the present wetting study, a (001) single crystal Cu is used as substrate and a dramatic change in the morphology of Cu6Sn5 is observed: instead of scallop type, the authors observed a rooftop-type Cu6Sn5 grains, elongated along two preferred orientation directions. This was confirmed by electron beam backscattered diffraction and white beam synchrotron x-ray microdiffraction. The results indicate that the nucleation, growth, and ripening behavior of Cu6Sn5 on single crystal substrate can be quite different from the conventional case of wetting on randomly oriented polycrystalline Cu substrates. (c) 2007 American Institute of Physics. C1 Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Suh, JO (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. NR 13 TC 51 Z9 52 U1 3 U2 25 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 30 PY 2007 VL 91 IS 5 AR 051907 DI 10.1063/1.2761840 PG 3 WC Physics, Applied SC Physics GA 197ZJ UT WOS:000248595800035 ER PT J AU Jackson, NB AF Jackson, Nancy B. TI Visualizing chemistry SO CHEMICAL & ENGINEERING NEWS LA English DT Editorial Material C1 Sandia Natl Labs, Int Chem Threat Reduct Dept, Albuquerque, NM 87185 USA. RP Jackson, NB (reprint author), Sandia Natl Labs, Int Chem Threat Reduct Dept, POB 5800, Albuquerque, NM 87185 USA. NR 0 TC 0 Z9 0 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2347 J9 CHEM ENG NEWS JI Chem. Eng. News PD JUL 30 PY 2007 VL 85 IS 31 BP 5 EP 5 DI 10.1021/cen-v085n031.p005 PG 1 WC Chemistry, Multidisciplinary; Engineering, Chemical SC Chemistry; Engineering GA 197AM UT WOS:000248525300001 ER PT J AU Hansen, SE Rodgers, AJ Schwartz, SY Al-Amri, AMS AF Hansen, Samantha E. Rodgers, Arthur J. Schwartz, Susan Y. Al-Amri, Abdullah M. S. TI Imaging ruptured lithosphere beneath the Red Sea and Arabian Peninsula SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE Arabia; Red Sea; rifting; lithosphere-asthenosphere boundary; S-receiver functions ID WAVE GROUP VELOCITIES; RECEIVER FUNCTIONS; SAUDI-ARABIA; SIMPLE-SHEAR; SHIELD; AFRICA; PLATE; CONSTRAINTS; MAGMATISM; CRUSTAL AB The Red Sea Rift, an archetype of a newly formed ocean basin, is an ideal environment in which to study the controversial processes associated with continental rifting. Different models have been proposed to explain how rifting in the Red Sea evolved; however, accurate constraints on lithospheric structure have not been available to discriminate rifting models. We use the S-wave receiver function technique to produce the first images of the lithosphere-asthenosphere boundary (LAB) structure along the Red Sea and throughout the Arabian Peninsula. Lithospheric thickness varies considerably, with thin lithosphere centered on the rift axis, thickening toward the Arabian interior. Gravity data are well fit by our structural model and indicate that high surface topography along the rift flank is not in isostatic equilibrium, requiring dynamic compensation for its support. While our derived structure is consistent with active rifting processes, previous studies demonstrated that the Red Sea initiated as a passive rift. Therefore, our results suggest a two-stage rifting history, where extension and erosion by flow in the underlying asthenosphere are responsible for variations in LAB depth. LAB topography guides asthenospheric flow beneath western Arabia and the Red Sea, demonstrating the important role lithospheric variations play in the thermal modification of tectonic environments. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Santa Cruz, Earth & Planetary Sci Dept, Santa Cruz, CA 95064 USA. Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94551 USA. King Saud Univ, Geol Dept, Riyadh 11451, Saudi Arabia. King Saud Univ, Seism Studies Ctr, Riyadh 11451, Saudi Arabia. RP Hansen, SE (reprint author), Univ Calif Santa Cruz, Earth & Planetary Sci Dept, 1156 High St, Santa Cruz, CA 95064 USA. EM shansen@es.ucsc.edu; rodgers7@llnl.gov; susan@es.ucsc.edu; amsamri@ksu.edu.sa RI Rodgers, Arthur/E-2443-2011 NR 39 TC 68 Z9 68 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD JUL 30 PY 2007 VL 259 IS 3-4 BP 256 EP 265 DI 10.1016/j.epsl.2007.04.035 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 197DX UT WOS:000248535300003 ER PT J AU Alexeev, Y Schmidt, MW Windus, TL Gordon, MS AF Alexeev, Yuri Schmidt, Michael W. Windus, Theresa L. Gordon, Mark S. TI A parallel distributed data CPHF algorithm for analytic Hessians SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE parallel; Hessians; DDI; CPHF ID PERFORMANCE COMPUTATIONAL CHEMISTRY; HARTREE-FOCK CALCULATIONS; 2ND DERIVATIVES; FORCE CONSTANTS; DATA INTERFACE; WAVE-FUNCTIONS; SCF; CONSTRUCTION; CAPREOMYCIN; COMPUTERS AB One of the most commonly used means to characterize potential energy surfaces of reactions and chemical systems is the Hessian calculation, whose analytic evaluation is computationally and memory demanding. A new scalable distributed data analytic Hessian algorithm is presented. Features of the distributed data parallel coupled perturbed Hartree-Fock (CPHF) are (a) columns of density-like and Fock-like matrices are distributed among processors, (b) an efficient static load balancing scheme achieves good work load distribution among the processors, (c) network communication time is minimized, and (d) numerous performance improvements in analytic Hessian steps are made. As a result, the new code has good performance which is demonstrated on large biological systems. (C) 2007 Wiley Periodicals, Inc. C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Scalable Comp Lab, Ames, IA 50011 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Gordon, MS (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM mark@si.fi.ameslab.gov NR 41 TC 12 Z9 12 U1 0 U2 4 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0192-8651 J9 J COMPUT CHEM JI J. Comput. Chem. PD JUL 30 PY 2007 VL 28 IS 10 BP 1685 EP 1694 DI 10.1002/jcc.20633 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 176MQ UT WOS:000247089800008 PM 17342719 ER PT J AU Chekanov, S Derrick, M Magill, S Miglioranzi, S Musgrave, B Nicholass, D Repond, J Yoshida, R Mattingly, MCK Jechow, M Pavel, N Molina, AGY Antonelli, S Antonioli, P Bari, G Basile, M Bellagamba, L Bindi, M Boscherini, D Bruni, A Bruni, G Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Lacobucci, G Margotti, A Nania, R Polini, A Rinaldi, L Sartorelli, G Zichichi, A Bartsch, D Brock, I Goers, S Hartmann, H Hilger, E Jakob, HP Jungst, M Kind, OM Paul, E Renner, R Samson, U Schonberg, V Shehzadi, R Wlasenko, M Brook, NH Heath, GP Morris, JD Namsoo, T Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ma, KJ Ibrahim, ZA Kamaluddin, B Abdullah, WATW Ning, Y Ren, Z Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Gil, M Olkiewicz, K Stopa, P Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Kotanski, A Slominski, W Adler, V Behrens, U Bloch, I Blohm, C Bonato, A Borras, K Coppola, N Dossanov, A Fourletova, J Geiser, A Gladkov, D Gottlicher, P Gregor, I Haas, T Hain, W Horn, C Kahle, B Klein, U Kotz, U Kowalski, H Lobodzinska, E Lohr, B Mankel, R Melzer-Pellmann, IA Montanari, A Notz, D Nuncio-Quiroz, AE Rubinsky, I Santamarta, R Schneekloth, U Spiridonov, A Stadie, H Szuba, D Szuba, J Theedt, T Wolf, G Wrona, K Youngman, C Zeuner, W Lohmann, W Schlenstedt, S Barbagli, G Gallo, E Pelfer, PG Bamberger, A Dobur, D Karstens, F Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Ferrando, J Saxon, DH Skillicorn, IO Gialas, I Gosau, T Holm, U Klanner, R Lohrmann, E Salehi, H Schleper, P Schorner-Sadenius, T Sztuk, J Wichmann, K Wick, K Foudas, C Fry, C Long, KR Tapper, AD Kataoka, M Matsumoto, T Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Ron, E Soares, M Terron, J Zambrana, M Corriveau, F Liu, C Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PE Gladilin, LK Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Zotkin, SA Abt, I Buttner, C Caldwell, A Kollar, D Schmidke, WB Sutiak, J Grigorescu, G Keramidas, A Koffeman, E Kooijman, P Pellegrino, A Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Lee, A Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Cottrell, A Devenish, RCE Foster, B Korcsak-Gorzo, K Patel, S Roberfroid, V Robertson, A Straub, PB Uribe-Estrada, C Walczak, R Bellan, P Bertolin, A Brugnera, R Carlin, R Ciesielski, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Stanco, L Turcato, M Oh, BY Raval, A Ukleja, J Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cole, JE Hart, JC Abramowicz', H Gabareen, A Ingbir, R Kananov, S Levy, A Kuze, M Hori, R Kagawa, S Okazaki, N Shimizu, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Ota, O Ri, YD Ferrero, MI Monaco, V Sacchi, R Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Boutle, SK Butterworth, JM Gwenlan, C Jones, TW Loizides, JH Sutton, MR Targett-Adams, C Wing, M Brzozowska, B Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Tymieniecka, T Ukleja, A Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Giller, I Hochman, D Karshon, U Rosin, M Brownson, E Danielson, T Everett, A Kcira, D Reeder, DD Ryan, P Savin, AA Smith, WH Wolfe, H Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Standage, J Whyte, J AF Chekanov, S. Derrick, M. Magill, S. Miglioranzi, S. Musgrave, B. Nicholass, D. Repond, J. Yoshida, R. Mattingly, M. C. K. Jechow, M. Pavel, N. Molina, A. G. Yaguees Antonelli, S. Antonioli, P. Bari, G. Basile, M. Bellagamba, L. Bindi, M. Boscherini, D. Bruni, A. Bruni, G. Cifarelli, L. Cindolo, F. Contin, A. Corradi, M. De Pasquale, S. Lacobucci, G. Margotti, A. Nania, R. Polini, A. Rinaldi, L. Sartorelli, G. Zichichi, A. Bartsch, D. Brock, I. Goers, S. Hartmann, H. Hilger, E. Jakob, H.-P. Juengst, M. Kind, O. M. Paul, E. Renner, R. Samson, U. Schoenberg, V. Shehzadi, R. Wlasenko, M. Brook, N. H. Heath, G. P. Morris, J. D. Namsoo, T. Capua, M. Fazio, S. Mastroberardino, A. Schioppa, M. Susinno, G. Tassi, E. Kim, J. Y. Ma, K. J. Ibrahim, Z. A. Kamaluddin, B. Abdullah, W. A. T. Wan Ning, Y. Ren, Z. Sciulli, F. Chwastowski, J. Eskreys, A. Figiel, J. Galas, A. Gil, M. Olkiewicz, K. Stopa, P. Zawiejski, L. Adamczyk, L. Bold, T. Grabowska-Bold, I. Kisielewska, D. Lukasik, J. Przybycien, M. Suszycki, L. Kotanski, A. Slominski, W. Adler, V. Behrens, U. Bloch, I. Blohm, C. Bonato, A. Borras, K. Coppola, N. Dossanov, A. Fourletova, J. Geiser, A. Gladkov, D. Goettlicher, P. Gregor, I. Haas, T. Hain, W. Horn, C. Kahle, B. Klein, U. Koetz, U. Kowalski, H. Lobodzinska, E. Loehr, B. Mankel, R. Melzer-Pellmann, I.-A. Montanari, A. Notz, D. Nuncio-Quiroz, A. E. Rubinsky, I. Santamarta, R. Schneekloth, U. Spiridonov, A. Stadie, H. Szuba, D. Szuba, J. Theedt, T. Wolf, G. Wrona, K. Youngman, C. Zeuner, W. Lohmann, W. Schlenstedt, S. Barbagli, G. Gallo, E. Pelfer, P. G. Bamberger, A. Dobur, D. Karstens, F. Vlasov, N. N. Bussey, P. J. Doyle, A. T. Dunne, W. Ferrando, J. Saxon, D. H. Skillicorn, I. O. Gialas, I. Gosau, T. Holm, U. Klanner, R. Lohrmann, E. Salehi, H. Schleper, P. Schoerner-Sadenius, T. Sztuk, J. Wichmann, K. Wick, K. Foudas, C. Fry, C. Long, K. R. Tapper, A. D. Kataoka, M. Matsumoto, T. Nagano, K. Tokushuku, K. Yamada, S. Yamazaki, Y. Barakbaev, A. N. Boos, E. G. Pokrovskiy, N. S. Zhautykov, B. O. Son, D. de Favereau, J. Piotrzkowski, K. Barreiro, F. Glasman, C. Jimenez, M. Labarga, L. del Peso, J. Ron, E. Soares, M. Terron, J. Zambrana, M. Corriveau, F. Liu, C. Walsh, R. Zhou, C. Tsurugai, T. Antonov, A. Dolgoshein, B. A. Sosnovtsev, V. Stifutkin, A. Suchkov, S. Dementiev, R. K. Ermolov, P. E. Gladilin, L. K. Katkov, I. I. Khein, L. A. Korzhavina, I. A. Kuzmin, V. A. Levchenko, B. B. Lukina, O. Yu. Proskuryakov, A. S. Shcheglova, L. M. Zotkin, D. S. Zotkin, S. A. Abt, I. Buettner, C. Caldwell, A. Kollar, D. Schmidke, W. B. Sutiak, J. Grigorescu, G. Keramidas, A. Koffeman, E. Kooijman, P. Pellegrino, A. Tiecke, H. Vazquez, M. Wiggers, L. Bruemmer, N. Bylsma, B. Durkin, L. S. Lee, A. Ling, T. Y. Allfrey, P. D. Bell, M. A. Cooper-Sarkar, A. M. Cottrell, A. Devenish, R. C. E. Foster, B. Korcsak-Gorzo, K. Patel, S. Roberfroid, V. Robertson, A. Straub, P. B. Uribe-Estrada, C. Walczak, R. Bellan, P. Bertolin, A. Brugnera, R. Carlin, R. Ciesielski, R. Dal Corso, F. Dusini, S. Garfagnini, A. Limentani, S. Longhin, A. Stanco, L. Turcato, M. Oh, B. Y. Raval, A. Ukleja, J. Whitmore, J. J. Iga, Y. D'Agostini, G. Marini, G. Nigro, A. Cole, J. E. Hart, J. C. Abramowicz', H. Gabareen, A. Ingbir, R. Kananov, S. Levy, A. Kuze, M. Hori, R. Kagawa, S. Okazaki, N. Shimizu, S. Tawara, T. Hamatsu, R. Kaji, H. Kitamura, S. Ota, O. Ri, Y. D. Ferrero, M. I. Monaco, V. Sacchi, R. Solano, A. Arneodo, M. Ruspa, M. Fourletov, S. Martin, J. F. Boutle, S. K. Butterworth, J. M. Gwenlan, C. Jones, T. W. Loizides, J. H. Sutton, M. R. Targett-Adams, C. Wing, M. Brzozowska, B. Ciborowski, J. Grzelak, G. Kulinski, P. Luzniak, P. Malka, J. Nowak, R. J. Pawlak, J. M. Tymieniecka, T. Ukleja, A. Zarnecki, A. F. Adamus, M. Plucinski, P. Eisenberg, Y. Giller, I. Hochman, D. Karshon, U. Rosin, M. Brownson, E. Danielson, T. Everett, A. Kcira, D. Reeder, D. D. Ryan, P. Savin, A. A. Smith, W. H. Wolfe, H. Bhadra, S. Catterall, C. D. Cui, Y. Hartner, G. Menary, S. Noor, U. Standage, J. Whyte, J. CA ZEUS Collaboration TI Leading neutron energy and p(T) distributions in deep inelastic scattering and photoproduction at HERA SO NUCLEAR PHYSICS B LA English DT Article ID MONTE-CARLO GENERATOR; DIJET CROSS-SECTIONS; PARTON DISTRIBUTIONS; EP COLLISIONS; DESY-HERA; PROTON; FRAGMENTATION; EVENTS; DIS; SPECTRA AB The production of energetic neutrons in ep collisions has been studied with the ZEUS detector at HERA. The neutron energy and p(T)(2) distributions were measured with a forward neutron calorimeter and tracker in a 40 pb(-1) sample of inclusive deep inelastic scattering (DIS) data and a 6 pb(-1) sample of photoproduction data. The neutron yield in photoproduction is suppressed relative to DIS for the lower neutron energies and the neutrons have a steeper p(T)(2)distribution, consistent with the expectation from absorption models. The distributions are compared to HERA measurements of leading protons. The neutron energy and transversemomentum distributions in DIS are compared to Monte Carlo simulations and to the predictions of particle exchange models. Models of pion exchange incorporating absorption and additional secondary meson exchanges give a good description of the data. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Florence, Florence, Italy. Ist Nazl Fis Nucl, I-50125 Florence, Italy. Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Humboldt Univ, Inst Phys, Berlin, Germany. 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. Univ Malaya, Kuala Lumpur 50603, Malaysia. Columbia Univ, Nevis Labs, Hudson, NY 10027 USA. Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland. AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY, Zeuthen, Germany. Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. Univ Aegean, Dept Engn Management & Finance, Mitilini, Greece. Univ Hamburg, Inst Expt Phys, Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. Univ Catholique Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. 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. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. 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. Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. Univ Turin, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Piemonte Orientale, Novara, 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. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. RP Gallo, E (reprint author), Univ Florence, Florence, Italy. EM gallo@mail.desy.de RI Wing, Matthew/C-2169-2008; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Doyle, Anthony/C-5889-2009; Ferrando, James/A-9192-2012; Gladilin, Leonid/B-5226-2011; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; OI Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Gladilin, Leonid/0000-0001-9422-8636; Wiggers, Leo/0000-0003-1060-0520; De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Longhin, Andrea/0000-0001-9103-9936 NR 36 TC 31 Z9 31 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 J9 NUCL PHYS B JI Nucl. Phys. B PD JUL 30 PY 2007 VL 776 IS 1-2 BP 1 EP 37 DI 10.1016/j.nuclphysb.2007.03.045 PG 37 WC Physics, Particles & Fields SC Physics GA 191SX UT WOS:000248153400001 ER PT J AU Fraze, K Wilson, AD Appel, AM DuBois, MR DuBois, DL AF Fraze, Kendra Wilson, Aaron D. Appel, Aaron M. DuBois, M. Rakowski DuBois, Daniel L. TI Thermodynamic properties of the Ni-H bond in complexes of the type [HNi(P(2)(R)N(2)(R'))(2)](BF(4)) and evaluation of factors that control catalytic activity for hydrogen oxidation/production SO ORGANOMETALLICS LA English DT Article ID FE-ONLY HYDROGENASE; HYDRIDE DONOR ABILITIES; ANGSTROM RESOLUTION; CRYSTAL-STRUCTURE; BRIDGING LIGAND; SITE; MODELS; PROTON; EVOLUTION; ELECTROCATALYSTS AB Thermodynamic data for hydride complexes of the general formula [HNi(P(2)(R)N(2)(R'))(2)](BF(4)), 3, which have been reported previously to function as effective catalysts for the electrochemical oxidation or production of hydrogen, have been determined. Values of Delta G degrees(H+), Delta G degrees(H center dot), and Delta G degrees(H-) have been determined for 3a where R = Cy, R' = Bz, for 3b where R = R' = Ph, and for the new complex 3c, R = Ph, R' = Bz. In addition, the Delta G values for the heterolytic addition of hydrogen to the Ni(II) precursor complexes [Ni(P(2)(R)N(2)(R'))(2)](BF(4))(2), 1a-c, have been determined experimentally or calculated. The data are useful for understanding the factors that control the catalytic activities observed for these complexes and for the design of additional catalysts. C1 Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP DuBois, MR (reprint author), Univ Colorado, Dept Chem & Biochem, Campus Box 215, Boulder, CO 80309 USA. EM Mary.rakowskidubois@pnl.gov RI Wilson, Aaron/C-4364-2008; OI Wilson, Aaron/0000-0001-5865-6537; Appel, Aaron/0000-0002-5604-1253 NR 48 TC 97 Z9 97 U1 2 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 30 PY 2007 VL 26 IS 16 BP 3918 EP 3924 DI 10.1021/om070143v PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 192HU UT WOS:000248192600006 ER PT J AU Gibson, JK Haire, RG Marcalo, J Santos, M de Matos, AP Mrozik, MK Pitzer, RM Bursten, BE AF Gibson, John K. Haire, Richard G. Marcalo, Joaquim Santos, Marta de Matos, Antonio Pires Mrozik, Michael K. Pitzer, Russell M. Bursten, Bruce E. TI Gas-phase reactions of hydrocarbons with An(+) and AnO(+) (An = Th, Pa, U, Np, Pu, Am, Cm): The active role of 5f electrons in organoprotactinium chemistry SO ORGANOMETALLICS LA English DT Article ID RESONANCE MASS-SPECTROMETRY; TRANSITION-METAL IONS; H-BOND ACTIVATION; PHOTOELECTRON-SPECTROSCOPY; LANTHANIDE CATIONS; MOLECULE REACTIONS; EXCITED-STATES; SMALL ALKANES; OXO-LIGAND; BASIS-SETS AB Activation of small (C(1)-C(4)) alkanes and alkenes by bare and oxo-ligated actinide cations (Th(+) through Cm(+)) has been systematically examined using Fourier transform ion cyclotron resonance mass spectrometry. The reduced reactivities of Pu(+), Am(+), and Cm(+) correlate with the energies for electronic excitation to a 5f(n-2)6d7s configuration, which indicates that their 5f electrons are chemically inert. The reactivity trend identified for the highly reactive early actinide ions, Th(+) > Pa(+) > U(+) > Np(+), is interpreted to indicate significant 5f electron participation in organoactinide sigma-type bond formation for Pa(+). Among the seven studied AnO(+) ions, only ThO(+), PaO(+), and UO(+) activated at least one hydrocarbon, with the reactivity of PaO(+) being distinctively high. Electronic structure calculations for PaO(+) show that its ground state is Pa(5f6d)O(+), i.e., with one 5f and one 6d nonbonding electrons available on the metal, and all of its excited states up to 1.8 eV have a 5f orbital occupancy of >= 0.8. The high reactivity and substantial 5f character of PaO(+) indicate participation of 5f electrons in hydrocarbon bond activation for oxo-ligated Pa(+). The results of this work reveal that 5f electrons play a distinctive role in protactinium chemistry involving sigma-type organometallic bonding. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Inst Technol & Nucl, Dept Quim, P-2686953 Sacavem, Portugal. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. RP Gibson, JK (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM gibsonjk@ornl.gov; jmarcalo@itn.pt RI Marcalo, Joaquim/J-5476-2013; PTMS, RNEM/C-1589-2014; Santos, Marta/A-2411-2012; OI Marcalo, Joaquim/0000-0001-7580-057X; Santos, Marta/0000-0002-8755-9442; Pires de Matos, Antonio/0000-0003-2674-6938 NR 77 TC 29 Z9 29 U1 3 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD JUL 30 PY 2007 VL 26 IS 16 BP 3947 EP 3956 DI 10.1021/om700329h PG 10 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 192HU UT WOS:000248192600009 ER PT J AU Das, A Miller, JS Poliakoff, ED Lucchese, RR Bozek, JD AF Das, Aloke Miller, J. Scott Poliakoff, E. D. Lucchese, R. R. Bozek, John D. TI Vibrationally resolved photoionization dynamics of CF4 in the D(2)A(1) state SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SHAPE RESONANT PHOTOIONIZATION; PHOTOELECTRON-SPECTROSCOPY; CROSS-SECTION; MOLECULAR PHOTOIONIZATION; HIGH-RESOLUTION; VALENCE LEVELS; DISTRIBUTIONS; IONIZATION; MODE; EXCITATION AB Vibrationally resolved photoelectron spectroscopy of the CF4+ (D (2)A(1)) state is studied for the first time over an extended energy range, 26.5 <= h nu <= 50 eV. It is found that the energy dependence of the totally symmetric stretching vibration is qualitatively different from all of the other vibrational modes. Moreover, the vibrational branching ratio curves for all of the symmetry forbidden vibrations are nearly identical. Qualitative arguments are used to show that it is likely that at least two shape resonances are present in the continuum, and that their characteristics, such as energy dependence and spatial localization, are distinctly different. (C) 2007 American Institute of Physics. C1 Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Poliakoff, ED (reprint author), Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA. EM epoliak@lsu.edu RI Bozek, John/E-4689-2010; Bozek, John/E-9260-2010 OI Bozek, John/0000-0001-7486-7238 NR 46 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2007 VL 127 IS 4 AR 044312 DI 10.1063/1.2749723 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 196ME UT WOS:000248485900023 PM 17672695 ER PT J AU Shimura, T Martin, M Torres, MJ Gu, C Pluth, JM DeBernardi, M McDonald, JS Aladjem, MI AF Shimura, Tsutomu Martin, Melvenia Torres, Michael J. Gu, Cory Pluth, Janice M. DeBernardi, Maria McDonald, Jeffrey S. Aladjem, Mirit I. TI DNA-PK is involved in repairing a transient surge of DNA breaks induced by deceleration of DNA replication (vol 367, pg 665, 2007) SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Correction C1 NCI, Mol Pharmacol Lab, Ctr Canc Res, NIH, Bethesda, MD 20892 USA. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Johns Hopkins Univ, Integrated Imaging Ctr, Rockville, MD 20850 USA. B D Biosci Bioimaging Syst, Rockville, MD 20850 USA. RP Aladjem, MI (reprint author), NCI, Mol Pharmacol Lab, Ctr Canc Res, NIH, Bethesda, MD 20892 USA. EM aladjemm@mail.nih.gov NR 1 TC 1 Z9 1 U1 0 U2 0 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 27 PY 2007 VL 370 IS 5 BP 1033 EP 1033 DI 10.1016/j.jmb.2007.01.093 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 188FJ UT WOS:000247904500019 ER PT J AU Ben-Naim, E Krapivsky, PL AF Ben-Naim, E. Krapivsky, P. L. TI Addition-deletion networks SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article ID EVOLUTION AB We study structural properties of growing networks where both addition and deletion of nodes are possible. Our model network evolves via two independent processes. With rate r, a node is added to the system and this node links to a randomly selected existing node. With rate 1, a randomly selected node is deleted and its parent node inherits the links of its immediate descendants. We show that the in- component size distribution decays algebraically, c(k) similar to k(-beta) as k ->infinity. The exponent beta = 2+ (r - 1)(-1) varies continuously with the addition rate r. Structural properties of the network including the height distribution, the diameter of the network, the average distance between two nodes and the fraction of dangling nodes are also obtained analytically. Interestingly, the deletion process leads to a giant hub, a single node with a macroscopic degree whereas all other nodes have a microscopic degree. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM ebn@lanl.gov; paulk@bu.edu RI Ben-Naim, Eli/C-7542-2009; Krapivsky, Pavel/A-4612-2014 OI Ben-Naim, Eli/0000-0002-2444-7304; NR 33 TC 13 Z9 13 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD JUL 27 PY 2007 VL 40 IS 30 BP 8607 EP 8619 DI 10.1088/1751-8113/40/30/001 PG 13 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 191YE UT WOS:000248167100008 ER PT J AU Chang, CW Okawa, D Garcia, H Majumdar, A Zettl, A AF Chang, C. W. Okawa, D. Garcia, H. Majumdar, A. Zettl, A. TI Nanotube phonon waveguide SO PHYSICAL REVIEW LETTERS LA English DT Article ID CARBON NANOTUBES; RESONANCES; SCATTERING; IMPURITY; MODE AB We find that the high thermal conductivity of carbon nanotubes remains intact under severe structural deformations while the corresponding electrical resistance and thermoelectric power show compromised responses. Similar robust thermal transport against bending is found for boron nitride nanotubes. Surprisingly, for both systems the phonon mean free path exceeds the characteristic length of structural ripples induced by bending and approaches the theoretical limit set by the radius of curvature. The robustness of heat conduction in nanotubes refines the ultimate limit that is far beyond the reach of ordinary materials. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Chang, CW (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Chang, Chih-Wei/A-5974-2012; Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X NR 23 TC 84 Z9 86 U1 1 U2 30 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 27 PY 2007 VL 99 IS 4 AR 045901 DI 10.1103/PhysRevLett.99.045901 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800037 PM 17678375 ER PT J AU Klie, RF Zheng, JC Zhu, Y Varela, M Wu, J Leighton, C AF Klie, R. F. Zheng, J. C. Zhu, Y. Varela, M. Wu, J. Leighton, C. TI Direct measurement of the low-temperature spin-state transition in LaCoO(3) SO PHYSICAL REVIEW LETTERS LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; ELECTRONIC-STRUCTURE; MAGNETIC PROPERTIES; PHOTOEMISSION; EQUILIBRIA; DENSITY AB LaCoO(3) exhibits an anomaly in its magnetic susceptibility around 80 K associated with a thermally excited transition of the Co(3+)-ion spin. We show that electron energy-loss spectroscopy is sensitive to this Co(3+)-ion spin-state transition, and that the O K edge prepeak provides a direct measure of the Co(3+) spin state in LaCoO(3) as a function of temperature. Our experimental results are confirmed by first-principles calculations, and we conclude that the thermally excited spin-state transition occurs from a low to an intermediate spin state, which can be distinguished from the high-spin state. C1 Univ Illinois, Dept Phys, Chicago, IL 60657 USA. Brookhaven Natl Lab, Inst Adv Electron Microscopy, Upton, NY 11973 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37830 USA. Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. RP Klie, RF (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60657 USA. RI Zheng, JC/G-3383-2010; Varela, Maria/H-2648-2012; Varela, Maria/E-2472-2014 OI Zheng, JC/0000-0002-6292-3236; Varela, Maria/0000-0002-6582-7004 NR 33 TC 81 Z9 82 U1 3 U2 31 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 27 PY 2007 VL 99 IS 4 AR 047203 DI 10.1103/PhysRevLett.99.047203 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800059 PM 17678397 ER PT J AU Li, P Balakirev, FF Greene, RL AF Li, Pengcheng Balakirev, F. F. Greene, R. L. TI High-field hall resistivity and magnetoresistance of electron-doped Pr2-xCexCuO4-delta SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTOR; TRANSPORT-PROPERTIES; STATE TRANSPORT; MAGNETIC ORDER; THIN-FILMS AB We report resistivity and Hall effect measurements in electron-doped Pr2-xCexCuO4-delta films in magnetic field up to 58 T. In contrast to hole-doped cuprates, we find a surprising nonlinear magnetic field dependence of Hall resistivity at high field in the optimally doped and overdoped films. We also observe a crossover from quadratic to linear field dependence of the positive magnetoresistance in the overdoped films. A spin density wave induced Fermi surface reconstruction model can be used to qualitatively explain both the Hall effect and magnetoresistance. C1 Univ Maryland, Ctr Supercond Res, College Pk, MD 20742 USA. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Los Alamos Natl Lab, NHMFL, Los Alamos, NM 87545 USA. RP Li, P (reprint author), Univ Maryland, Ctr Supercond Res, College Pk, MD 20742 USA. NR 24 TC 32 Z9 32 U1 0 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 27 PY 2007 VL 99 IS 4 AR 047003 DI 10.1103/PhysRevLett.99.047003 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800054 PM 17678392 ER PT J AU Maniadis, P Lookman, T Kober, EM Rasmussen, KO AF Maniadis, P. Lookman, T. Kober, E. M. Rasmussen, K. O. TI Stress distributions in diblock copolymers SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONSISTENT-FIELD THEORY; LAMELLAR PHASE; CUBIC PHASES; BLOCK; MELTS; SIMULATIONS; DYNAMICS AB We demonstrate how a generalized self-consistent field theory for polymer melts that includes elastic stress and strain fields can be applied to the study of AB diblock copolymers melts. By obtaining the stress distributions for volume conserving strain loadings where lamellar and hexagonal morphologies are stable, we show that the local stress is reduced at the domain interface but slightly enhanced in the immediate vicinity of the interface. The overall stress profile is the result of the combined effects of chain connectivity across the interface, which yields a positive contribution, and the immiscible nature of the monomers, which leads to a stress reduction because of interfacial tension. 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 Maniadis, P (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Rasmussen, Kim/B-5464-2009; Maniadis, Panagiotis/A-7861-2012; OI Rasmussen, Kim/0000-0002-4029-4723; Lookman, Turab/0000-0001-8122-5671 NR 19 TC 20 Z9 20 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 27 PY 2007 VL 99 IS 4 AR 048302 DI 10.1103/PhysRevLett.99.048302 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800073 PM 17678411 ER PT J AU Navratil, P Gueorguiev, VG Vary, JP Ormand, WE Nogga, A AF Navratil, P. Gueorguiev, V. G. Vary, J. P. Ormand, W. E. Nogga, A. TI Structure of A=10-13 nuclei with two- plus three-nucleon interactions from chiral effective field theory SO PHYSICAL REVIEW LETTERS LA English DT Article ID INTERACTION CROSS-SECTIONS; LIGHT-NUCLEI; ENERGY-LEVELS; FORCES; LAGRANGIANS; SYSTEMS; RADII AB Properties of finite nuclei are evaluated with two-nucleon (NN) and three-nucleon (NNN) interactions derived within chiral effective field theory. The nuclear Hamiltonian is fixed by properties of the A = 2 system, except for two low-energy constants (LECs) that parametrize the short range NNN interaction, which we constrain with the A=3 binding energies. We investigate the sensitivity of He-4, Li-6, B-10,B-11, and C-12,C-13 properties to the variation of the constrained LECs. We identify observables that are sensitive to this variation and find preferred values that give the best overall description. We demonstrate that the NNN interaction terms significantly improve the binding energies and spectra of mid-p-shell nuclei not just with the preferred choice of the LECs but even within a wide range of the constrained LECs. We find that a very high quality description of these nuclei requires further improvements to the chiral Hamiltonian. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Forschungszentrum Julich, Inst Kernphys Theorie, D-52425 Julich, Germany. RP Navratil, P (reprint author), Lawrence Livermore Natl Lab, L-414,POB 808, Livermore, CA 94551 USA. RI Nogga, Andreas/A-3354-2008; Gueorguiev, Vesselin/A-9679-2009 OI Nogga, Andreas/0000-0003-2156-748X; Gueorguiev, Vesselin/0000-0002-2022-6432 NR 29 TC 221 Z9 222 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 27 PY 2007 VL 99 IS 4 AR 042501 DI 10.1103/PhysRevLett.99.042501 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800016 PM 17678354 ER PT J AU Ranjan, V Yu, L Nardelli, MB Bernholc, J AF Ranjan, V. Yu, L. Nardelli, Marco Buongiorno Bernholc, J. TI Phase equilibria in high energy density PVDF-Based polymers SO PHYSICAL REVIEW LETTERS LA English DT Article AB The phase diagrams of polyvinylidene fluoride (PVDF) and its copolymers with chlorotrifluoroethylene (CTFE) are investigated by first-principles calculations. Both PVDF and dilute P(VDF-CTFE) prefer nonpolar structures at zero field, but transform to a polar phase below the breakdown field. The critical field decreases with increasing CTFE content, facilitating the transformation. In disordered P(VDF-CTFE), a distribution of concentrations leads to a range of polar transitions, resulting in ultrahigh energy density. These results explain well experimental observations of very high-energy density in P(VDF-CTFE). C1 N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37830 USA. RP Ranjan, V (reprint author), N Carolina State Univ, Ctr High Performance Simulat, Raleigh, NC 27695 USA. RI Buongiorno Nardelli, Marco/C-9089-2009; Yu, Liping/B-4640-2008 NR 14 TC 42 Z9 42 U1 4 U2 32 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 27 PY 2007 VL 99 IS 4 AR 047801 DI 10.1103/PhysRevLett.99.047801 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800068 PM 17678406 ER PT J AU Shen, Y Watanabe, T Arena, DA Kao, CC Murphy, JB Tsang, TY Wang, XJ Carr, GL AF Shen, Y. Watanabe, T. Arena, D. A. Kao, C.-C. Murphy, J. B. Tsang, T. Y. Wang, X. J. Carr, G. L. TI Nonlinear cross-phase modulation with intense single-cycle terahertz pulses SO PHYSICAL REVIEW LETTERS LA English DT Article ID RADIATION; ELECTRONS AB We have demonstrated nonlinear cross-phase modulation in electro-optic crystals using intense, single-cycle terahertz (THz) radiation. Individual THz pulses, generated by coherent transition radiation emitted by subpicosecond electron bunches, have peak energies of up to 100 mu J per pulse. The time-dependent electric field of the intense THz pulses induces cross-phase modulation in electro-optic crystals through the Pockels effect, leading to spectral shifting, broadening, and modulation of copropagating laser pulses. The observed THz-induced cross-phase modulation agrees well with a time-dependent phase-shift model. C1 Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP Shen, Y (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. NR 19 TC 99 Z9 100 U1 6 U2 16 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 27 PY 2007 VL 99 IS 4 AR 043901 DI 10.1103/PhysRevLett.99.043901 PG 4 WC Physics, Multidisciplinary SC Physics GA 194LL UT WOS:000248345800027 PM 17678365 ER PT J AU Bag, S Trikalitis, PN Chupas, PJ Armatas, GS Kanatzidis, MG AF Bag, Santanu Trikalitis, Pantelis N. Chupas, Peter J. Armatas, Gerasimos S. Kanatzidis, Mercouri G. TI Porous semiconducting gels and aerogels from chalcogenide clusters SO SCIENCE LA English DT Article ID MESOSTRUCTURED SEMICONDUCTORS; METAL AB Inorganic porous materials are being developed for use as molecular sieves, ion exchangers, and catalysts, but most are oxides. We show that various sulfide and selenide clusters, when bound to metal ions, yield gels having porous frameworks. These gels are transformed to aerogels after supercritical drying with carbon dioxide. The aerogels have high internal surface area ( up to 327 square meters per gram) and broad pore size distribution, depending on the precursors used. The pores of these sulfide and selenide materials preferentially absorb heavy metals. These materials have narrow energy gaps ( between 0.2 and 2.0 electron volts) and low densities, and they may be useful in optoelectronics, as photocatalysts, or in the removal of heavy metals from water. C1 Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. EM m-kanatzidis@northwestern.edu RI Trikalitis, Pantelis/E-5696-2011; Armatas, Gerasimos/F-4753-2011 OI Armatas, Gerasimos/0000-0001-9475-1929 NR 17 TC 189 Z9 189 U1 18 U2 154 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 27 PY 2007 VL 317 IS 5837 BP 490 EP 493 DI 10.1126/science.1142535 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 194JD UT WOS:000248339800038 PM 17656718 ER PT J AU Chen, SF Mowery, RA Scarlata, CJ Chambliss, CK AF Chen, Shou-Feng Mowery, Richard A. Scarlata, Christopher J. Chambliss, C. Kevin TI Compositional analysis of water-soluble materials in corn stover SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE corn stover; compositional analysis; extractives; biomass; value-added products; water-soluble; materials; feedstock ID PERFORMANCE LIQUID-CHROMATOGRAPHY; TRANS-ACONITIC ACID; DEGRADATION-PRODUCTS; HOT-WATER; BIOMASS; PRETREATMENT; FEEDSTOCKS; MAIZE AB Corn stover is one of the leading feedstock candidates for commodity-scale biomass-to-ethanol processing. The composition of water-soluble materials in corn stover has been determined with greater than 90% mass closure in four of five representative samples. The mass percentage of water-soluble materials in tested stover samples varied from 14 to 27% on a dry weight basis. Over 30 previously unknown constituents of aqueous extracts were identified and quantified using a variety of chromatographic techniques. Monomeric sugars (primarily glucose and fructose) were found to be the predominant water-soluble components of corn stover, accounting for 30-46% of the dry weight of extractives (4-12% of the dry weight of feedstocks). Additional constituents contributing to the mass balance for extractives included various alditols (3-7%), aliphatic acids (7-21%), inorganic ions (10-18%), oligomeric sugars (4-12%), and a distribution of oligomers tentatively identified as being derived from phenolic glycosides (10-18%). C1 Baylor Univ, Dept Chem & Biochem, Waco, TX 76798 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Chambliss, CK (reprint author), Baylor Univ, Dept Chem & Biochem, One Bear Place,Box 97348, Waco, TX 76798 USA. EM kevin_chambliss@baylor.edu OI Chambliss, Kevin/0000-0003-3888-6890 NR 26 TC 65 Z9 68 U1 5 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD JUL 26 PY 2007 VL 55 IS 15 BP 5912 EP 5918 DI 10.1021/jf0700327 PG 7 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 190UE UT WOS:000248085300002 PM 17595100 ER PT J AU Howle, CR Arrowsmith, AN Chikan, V Leone, SR AF Howle, Chris R. Arrowsmith, Alan N. Chikan, Viktor Leone, Stephen R. TI State-resolved dynamics of the CN(B-2 Sigma(+)) and CH(A(2)Delta) excited products resulting from the VUV photodissociation of CH3CN SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; ATMOSPHERIC-PRESSURE FLAME; ADVANCED LIGHT-SOURCE; HIGH-RESOLUTION; INTERSTELLAR RADIATION; PHOTOELECTRON-SPECTRA; C2H+O(P-3) REACTION; NITROGEN CHEMISTRY; INFRARED-EMISSION; CHEMICAL-DYNAMICS AB Fourier transform visible spectroscopy, in conjunction with VUV photons produced by a synchrotron, is employed to investigate the photodissociation of CH3CN. Emission is observed from both the CN(B-2 Sigma(+)-X-2 Sigma(+)) and CH(A(2)Delta-X-2 Pi) transitions; only the former is observed in spectra recorded at 10.2 and 11.5 eV, whereas both are detected in the 16 eV spectrum. The rotational and vibrational temperatures of both the CN(B-2 Sigma(+)) and CH(A(2)Delta) radical products are derived using a combination of spectral simulations and Boltzmann plots. The CN(B-2 Sigma(+)) fragment displays a bimodal rotational distribution in all cases. T-rot(CN(B-2 Sigma(+))) ranges from 375 to 600 K at lower K' and from 1840 to 7700 K at higher K' depending on the photon energy used. Surprisal analyses indicate clear bimodal rotational distributions, suggesting CN(B-2 Sigma(+)) is formed via either linear or bent transition states, respectively, depending on the extent of rotational excitation in this fragment. CH(A(2)Delta) has a single rotational distribution when produced at 16 eV, which results in T-rot(CH(A(2)Delta)) = 4895 +/- 140 K in v' = 0 and 2590 +/- 110 K in v' = 1. From thermodynamic calculations, it is evident that CH(A(2)Delta) is produced along with CN(X-2 Sigma(+)) + H-2. These products can be formed by a two step mechanism (via excited CH3* and ground state CN(X-2 Sigma(+))) or a process similar to the "roaming" atom mechanism; the data obtained here are insufficient to definitively conclude whether either pathway occurs. A comparison of the CH(A(2)Delta) and CN(B-2 Sigma(+)) rotational distributions produced by 16 eV photons allows the ratio between the two excited fragments at this energy to be determined. An expression that considers the rovibrational populations of both band systems results in a CH(A(2)Delta):CN(B-2 Sigma(+)) ratio of (1.2 +/- 0.1):1 at 16 eV, thereby indicating that production of CH(A(2)Delta) is significant at 16 eV. C1 Univ Calif Berkeley, Dept Chem & Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem & Phys, Berkeley, CA 94720 USA. NR 72 TC 2 Z9 2 U1 2 U2 8 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 26 PY 2007 VL 111 IS 29 BP 6637 EP 6648 DI 10.1021/jp068544w PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 191HE UT WOS:000248121400009 PM 17388380 ER PT J AU Srinivasan, NK Su, MC Michael, JV Klippenstein, SJ Harding, LB AF Srinivasan, N. K. Su, M.-C. Michael, J. V. Klippenstein, S. J. Harding, L. B. TI Reflected shock tube and theoretical studies of high-temperature rate constants for OH+CF3H -> CF3+H2O and CF3+OH -> Products SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID QUADRATIC CONFIGURATION-INTERACTION; RELATIVE RATE MEASUREMENTS; POTENTIAL-ENERGY SURFACE; TRANSITION-STATE THEORY; ABSOLUTE RATE CONSTANTS; THERMAL RATE CONSTANTS; AB-INITIO; SUBSTITUTED METHANES; HYDROXYL RADICALS; ATOM ABSORPTION AB The reflected shock tube technique with multipass absorption spectrometric detection of OH radicals at 308 nm, using either 36 or 60 optical passes corresponding to total path lengths of 3.25 or 5.25 m, respectively, has been used to study the bimolecular reactions, OH + CF3H -> CF3 + H2O (1) and CF3 + H2O -> OH + CF3H (-1), between 995 and 1663 K. During the course of the study, estimates of rate constants for CF3 + OH -> products (2) could also be determined. Experiments on reaction -1 were transformed through equilibrium constants to k(1), giving the Arrhenius expression k(1) = (9.7 +/- 2.1) x 10(-12) exp(-4398 +/- 275K/T) cm(3) molecule(-1) s(-1). Over the temperature range, 1318-1663 K, the results for reaction 2 were constant at k(2) = (1.5 +/- 0.4) x 10(-11) cm(3) molecule(-1) s(-1). Reactions 1 and -1 were also studied with variational transition state theory (VTST) employing QCISD(T) properties for the transition state. These a priori VTST predictions were in good agreement with the present experimental results but were too low at the lower temperatures of earlier experiments, suggesting that either the barrier height was overestimated by about 1.3 kcal/mol or that the effect of tunneling was greatly underestimated. The present experimental results have been combined with the most accurate earlier studies to derive an evaluation over the extended temperature range of 252-1663 K. The three parameter expression k(1) = 2.08 x 10(-17) T-1.5513 exp(-1848 K/T) cm(3) molecule(-1) s(-1) describes the rate behavior over this temperature range. Alternatively, the expression k(1,th) = 1.78 x 10(-23) T-3.406 exp(-837 K/T) cm(3) molecule(-1) s(-1) obtained from empirically adjusted VTST calculations over the 250-2250 K range agrees with the experimental evaluation to within a factor of 1.6. Reaction 2 was also studied with direct CASPT2 variable reaction coordinate transition state theory. The resulting predictions for the capture rate are found to be in good agreement with the mean of the experimental results and can be represented by the expression k(2,th) = 2.42 x 10(-11) T-0.0650 exp(134 K/T) cm(3) molecule(-1) s(-1) over the 200-2500 K temperature range. The products of this reaction are predicted to be CF2O + HF. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Michael, JV (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jmichael@anl.gov RI Michael, Joe/E-3907-2010; OI Klippenstein, Stephen/0000-0001-6297-9187 NR 95 TC 10 Z9 10 U1 2 U2 9 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 26 PY 2007 VL 111 IS 29 BP 6822 EP 6831 DI 10.1021/jp0706228 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 191HE UT WOS:000248121400031 PM 17503789 ER PT J AU Ismail, H Goldsmith, CF Abel, PR Howe, PT Fahr, A Halpern, JB Jusinski, LE Georgievskii, Y Taatjes, CA Green, WH AF Ismail, Huzeifa Goldsmith, C. Franklin Abel, Paul R. Howe, Pui-Teng Fahr, Askar Halpern, Joshua B. Jusinski, Leonard E. Georgievskii, Yuri Taatjes, Craig A. Green, William H. TI Pressure and temperature dependence of the reaction of vinyl radical with Ethylene SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RING-DOWN SPECTROSCOPY; GAS-PHASE; MASTER EQUATION; PHOTOLYSIS; ACETYLENE; KINETICS; METHANE; NM; ISOMERIZATION; DISSOCIATION AB This work reports measurements of absolute rate coefficients and Rice-Ramsperger-Kassel-Marcus (RRKM) master equation simulations of the C2H3 + C2H4 reaction. Direct kinetic studies were performed over a temperature range of 300-700 K and pressures of 20 and 133 mbar. Vinyl radicals (H2CCH) were generated by laser photolysis of vinyl iodide (C2H3I) at 266 nm, and time-resolved absorption spectroscopy was used to probe vinyl radicals through absorption at 423.2 nm. Measurements at 20 mbar are in good agreement with previous determinations at higher temperature. A weighted three-parameter Arrhenius fit to the experimental rate constant at 133 mbar, with the temperature exponent fixed, gives k = (7 +/- 1) x 10(-14) cm(3) molecule(-1) s(-1) (T/298 K)(2) exp[-(1430 +/- 70) K/T]. RRKM master equation simulations, based on G3 calculations of stationary points on the C4H7 potential energy surface, were carried out to predict rate coefficients and product branching fractions. The predicted branching to 1-methylallyl product is relatively small under the conditions of the present experiments but increases as the pressure is lowered. Analysis of end products of 248 nm photolysis of vinyl iodide/ethylene mixtures at total pressures between 27 and 933 mbar provides no direct evidence for participation of 1-methylallyl. C1 Howard Univ, Dept Chem, Washington, DC 20059 USA. MIT, Dept Chem & Chem Engn, Cambridge, MA 02139 USA. American Univ, Dept Chem, Washington, DC 20016 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Fahr, A (reprint author), Howard Univ, Dept Chem, Washington, DC 20059 USA. EM afahr@msrce.howard.edu; cataatj@sandia.gov; whgreen@mit.edu RI Green, William/C-9684-2012 OI Green, William/0000-0003-2603-9694 NR 40 TC 10 Z9 10 U1 2 U2 18 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 26 PY 2007 VL 111 IS 29 BP 6843 EP 6851 DI 10.1021/jp071041l PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 191HE UT WOS:000248121400033 PM 17569512 ER PT J AU He, YB Goriachko, A Korte, C Farkas, A Mellau, G Dudin, P Gregoratti, L Barinov, A Kiskinova, M Stierle, A Kasper, N Bajt, S Over, H AF He, Y. B. Goriachko, A. Korte, C. Farkas, A. Mellau, G. Dudin, P. Gregoratti, L. Barinov, A. Kiskinova, M. Stierle, A. Kasper, N. Bajt, S. Over, H. TI Oxidation and reduction of ultrathin nanocrystalline ru films on silicon: Model system for Ru-capped extreme ultraviolet lithography optics SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SURFACE; RU(0001); RUO2(110); COATINGS; OXIDE; LAYER AB Ultrathin ruthenium films are promising capping layers protecting extreme ultraviolet lithography optics against carbon growth and oxidation. The structure and reactivity of 2, 5, and 7 nm thick nanocrystalline Ru films on Si (serving as a model system for Ru capping layers) were studied by multiple techniques including scanning electron microscopy, X-ray diffraction, X-ray reflectivity, and X-ray photoelectron spectroscopy. The structural analysis indicated dense and flat Ru films, consisting of preferentially (0001)-oriented grains. High resolution core-level Ru 3d(5/2) and O 1s spectroscopy studies have revealed that these Ru films exposed to O-2 ambient are resistant to oxidation up to similar to 470 K similar to the oxidation of single-crystalline Ru(0001) surfaces. The reduction of the oxide in the H-2 ambient is highly effective and proceeds already below 370 K. C1 Univ Giessen, Dept Chem Phys, D-35392 Giessen, Germany. Sincrotrone Trieste, I-34012 Trieste, Italy. Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Over, H (reprint author), Univ Giessen, Dept Chem Phys, Heinrich Buff Ring, D-35392 Giessen, Germany. EM herbert.over@phys.chemie.uni-giessen.de RI Bajt, Sasa/G-2228-2010; He, Yunbin/A-9391-2008; Mellau, Georg Christopher/A-8886-2017; OI He, Yunbin/0000-0002-7179-4392; Mellau, Georg Christopher/0000-0001-8209-5733; BARINOV, Alexey/0000-0003-4125-3779; Korte, Carsten/0000-0001-6574-6223 NR 23 TC 15 Z9 15 U1 3 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 26 PY 2007 VL 111 IS 29 BP 10988 EP 10992 DI 10.1021/jp071339b PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 191HG UT WOS:000248121600035 ER PT J AU Yu, R De Jonghe, LC AF Yu, Rong De Jonghe, Lutgard C. TI Proton-transfer mechanism in LaPO4 SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TOTAL-ENERGY CALCULATIONS; SR-SUBSTITUTED LAPO4; WAVE BASIS-SET; MOLECULAR-DYNAMICS; CONDUCTION; POINTS; METALS; PATHS AB On the basis of the density functional calculations, the proton-transfer mechanism in LaPO4 has been investigated at the atomic scale within the transition state theory. Through the use of the nudged elastic band method, the minimum energy paths of typical proton-transfer processes were computed, including intratetrahedral transfer, intertetrahedral transfer, proton rotation around PO4 tetrahedra, and the oscillatory transfer between adjacent tetrahedra. Because the PO4 tetrahedra in LaPO4 are separated, proton transfer between different tetrahedra is required for continuous proton conduction. The energy barriers for these processes are shown to be around 0.8 eV, very close to experimentally measured activation energies. The intratetrahedral transfer on the phosphate groups presents a high-energy barrier and is very unlikely to occur. Proton conductivity of LaPO4 was also calculated by considering the vibration frequencies of the system within the harmonic approximation. C1 Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Yu, R (reprint author), Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. EM atomelectron@gmail.com RI Yu, Rong/A-3011-2008 OI Yu, Rong/0000-0003-1687-3597 NR 17 TC 48 Z9 48 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 26 PY 2007 VL 111 IS 29 BP 11003 EP 11007 DI 10.1021/jp0727244 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 191HG UT WOS:000248121600038 ER PT J AU Gamarra, D Munuera, G Hungria, AB Fernandez-Garcia, M Conesa, JC Midgley, PA Wang, XQ Hanson, JC Rodriguez, JA Martinez-Arias, A AF Gamarra, D. Munuera, G. Hungria, A. B. Fernandez-Garcia, M. Conesa, J. C. Midgley, P. A. Wang, X. Q. Hanson, J. C. Rodriguez, J. A. Martinez-Arias, A. TI Structure-activity relationship in nanostructured copper-ceria-based preferential CO oxidation catalysts SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID WATER-GAS SHIFT; TRANSFORM INFRARED-SPECTROSCOPY; RAY PHOTOELECTRON-SPECTROSCOPY; CARBON-MONOXIDE OXIDATION; HIGH-ENERGY DIFFRACTION; SELECTIVE OXIDATION; CUO-CEO2 CATALYSTS; REDOX PROPERTIES; EXCESS HYDROGEN; PARTICLE-SIZE AB Two series of nanostructured oxidized copper-cerium catalysts with varying copper loadings, and prepared, respectively, by impregnation of ceria and by coprecipitation of the two components within reverse microemulsions, have been characterized in detail at structural and electronic levels by X-ray diffraction (XRD), Raman spectroscopy, high-resolution electron microscopy (HREM), X-ray energy dispersive spectroscopy (XEDS), X-ray photoelectron spectroscopy (XPS) (including Ar+-sputtering), and X-ray absorption fine structure (XAFS). These results have been correlated with analysis of their catalytic properties for preferential oxidation of CO in a H-2-rich stream (CO-PROX), complemented by Operando-DRIFTS. A relevant difference between the two series of catalysts concerns the nature of the support for the surface-dispersed copper oxide entities, which is essentially ceria for the samples prepared by impregnation and a Ce-Cu mixed oxide for those prepared by microemulsion-coprecipitation. The existence of copper segregation in the form of copper oxide or copper-enriched Cu-Ce mixed oxides for the latter type of samples is uniquely revealed by nanoprobe XEDS and XPS Ar+-sputtering experiments. The CO oxidation activity under CO-PROX conditions is correlated to the degree of support-promoted reduction achieved by the dispersed copper oxide particles under reaction conditions. Nevertheless, catalysts which display higher CO oxidation activity are generally more efficient also for the undesired H-2 oxidation reaction. The balance between both reactions results in differences in the CO-PROX activity between the two series of catalysts which are examined on the basis of the structural differences found. C1 CSIC, Inst Catalisis & Petroleoquim, E-28049 Madrid, Spain. Univ Seville, Dept Quim Inorgan, CSIC, Seville 41092, Spain. Univ Seville, Inst Ciencia Mat, Ctr Mixto, CSIC, Seville 41092, Spain. Univ Cambridge, Dept Mat Sci, Cambridge CB3 3QZ, England. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Martinez-Arias, A (reprint author), CSIC, Inst Catalisis & Petroleoquim, C Marie Curie 2,Campus Cantoblanco, E-28049 Madrid, Spain. EM amartinez@icp.csic.es RI Hanson, jonathan/E-3517-2010; Conesa, Jose/H-6277-2011; Fernandez-Garcia, Marcos/A-8122-2014; Hungria, Ana/I-8739-2014 OI Conesa, Jose/0000-0001-9906-8520; Hungria, Ana/0000-0002-4622-6967 NR 75 TC 179 Z9 181 U1 24 U2 158 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 26 PY 2007 VL 111 IS 29 BP 11026 EP 11038 DI 10.1021/jp072243k PG 13 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 191HG UT WOS:000248121600041 ER PT J AU Bondarchuk, O Kim, YK White, JM Kim, J Kay, BD Dohnalek, Z AF Bondarchuk, Oleksandr Kim, Yu Kwon White, J. M. Kim, Jooho Kay, Bruce D. Dohnalek, Zdenek TI Surface chemistry of 2-propanol on TiO2(110): Low- and high-temperature dehydration, isotope effects, and influence of local surface structure SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ALIPHATIC-ALCOHOLS; DIRECT VISUALIZATION; MOLECULAR-BEAM; DISSOCIATION; ADSORPTION; WATER; TIO2; KINETICS; TITANIA; H2O AB Dosed on rutile TiO2(110) at 100 K, the thermal chemistry of 2-propanol in three formsC(3)H(7)OH, C3D7OD, and C(3)H(7)ODwas characterized using temperature-programmed desorption. Only 2-propanol, propene, and water desorb with no evidence for acetone. The propene forms and desorbs by two paths, a heretofore unreported low-temperature path extending from 300 to 450 K and, concurring with prior work, a high-temperature path peaking between 570 and 580 K. Both paths exhibit isotope effects. The high-temperature path is interpreted in terms of decomposition of 2-propoxy species located on bridging oxygen atom rows. The low-temperature path is attributed to 2-propanol dehydration on undercoordinated Ti4+ ions of the Ti4+ rows. The low-temperature path characteristics vary with the long-range order and bridge-bonded oxygen atom vacancy concentration. C1 Univ Texas, Ctr Mat Chem, Texas Mat Inst, Austin, TX 78712 USA. Pacific NW Natl Lab, Fundamental Sci Directorate, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Dohnalek, Z (reprint author), Univ Texas, Ctr Mat Chem, Texas Mat Inst, Austin, TX 78712 USA. EM JMWhite@mail.utexas.edu; Bruce.Kay@pnl.gov; Zdenek.Dohnalek@pnl.gov OI Dohnalek, Zdenek/0000-0002-5999-7867; Bondarchuk, Oleksandr/0000-0001-7380-8930 NR 24 TC 46 Z9 46 U1 2 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 26 PY 2007 VL 111 IS 29 BP 11059 EP 11067 DI 10.1021/jp072298m PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 191HG UT WOS:000248121600044 ER PT J AU Hellsten, U Khokha, MK Grammer, TC Harland, RM Richardson, P Rokhsar, DS AF Hellsten, Uffe Khokha, Mustafa K. Grammer, Timothy C. Harland, Richard M. Richardson, Paul Rokhsar, Daniel S. TI Accelerated gene evolution and subfunctionalization in the pseudotetraploid frog Xenopus laevis SO BMC BIOLOGY LA English DT Article ID DUPLICATE GENES; GENOME DUPLICATION; CLAWED FROGS; PHYLOGENY; ALIGNMENT; FAMILIES; REVEALS; FISH AB Background: Ancient whole genome duplications have been implicated in the vertebrate and teleost radiations, and in the emergence of diverse angiosperm lineages, but the evolutionary response to such a perturbation is still poorly understood. The African clawed frog Xenopus laevis experienced a relatively recent tetraploidization similar to 40 million years ago. Analysis of the considerable amount of EST sequence available for this species together with the genome sequence of the related diploid Xenopus tropicalis provides a unique opportunity to study the genomic response to whole genome duplication. Results: We identified 2218 gene triplets in which a single gene in X. tropicalis corresponds to precisely two co-orthologous genes in X. laevis - the largest such collection published from any duplication event in animals. Analysis of these triplets reveals accelerated evolution or relaxation of constraint in the peptides of the X. laevis pairs compared with the orthologous sequences in X. tropicalis and other vertebrates. In contrast, single-copy X. laevis genes do not show this acceleration. Duplicated genes can differ substantially in expression levels and patterns. We find no significant difference in gene content in the duplicated set, versus the single-copy set based on molecular and biological function ontologies. Conclusion: These results support a scenario in which duplicate genes are retained through a process of subfunctionalization and/or relaxation of constraint on both copies of an ancestral gene. C1 Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Ctr Integrat Genom, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. RP Rokhsar, DS (reprint author), Dept Energy Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM uhellsten@lbl.gov; mustafa.khokha@yale.edu; Timothy_Grammer@perlegen.com; RMHarland@lbl.gov; PMRichardson@lbl.gov; DSRokhsar@lbl.gov FU NICHD NIH HHS [K08 HD042550, K08-HD42550]; NIGMS NIH HHS [GM66684, R01 GM066684] NR 39 TC 57 Z9 59 U1 0 U2 9 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1741-7007 J9 BMC BIOL JI BMC Biol. PD JUL 25 PY 2007 VL 5 AR 31 DI 10.1186/1741-7007-5-31 PG 14 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 202SZ UT WOS:000248925200001 PM 17651506 ER PT J AU Gary, SP Saito, S AF Gary, S. Peter Saito, Shinji TI Broadening of solar wind strahl pitch-angles by the electron/electron instability: Particle-in-cell simulations SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID ELECTRON HALO; RADIO-BURST; WAVES AB [1] Solar wind electrons in the suprathermal energy range from about 70 eV to greater than 1 keV usually are observed as two distinct, relatively tenuous components: an approximately isotropic halo and a strongly anisotropic "strahl'' directed along the magnetic field. This manuscript describes a two-dimensional electromagnetic particle-in-cell simulation in a magnetized, homogeneous, collisionless plasma with such a two-component representation of suprathermal electrons. In this computation the electrostatic electron/electron instability is driven by a strahl with a large average speed along the background magnetic field B-o. The simulation demonstrates that this instability leads to substantial strahl velocity scattering perpendicular to B-o. The most important result here is that, for strahl speeds large compared to the halo thermal speed, after instability saturation the width of the electron pitch-angle distribution exhibits a maximum as a function of electron energy. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Gary, SP (reprint author), Los Alamos Natl Lab, MS D466, Los Alamos, NM 87545 USA. EM pgary@lanl.gov; ssaito@lanl.gov NR 27 TC 20 Z9 20 U1 0 U2 1 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 25 PY 2007 VL 34 IS 14 AR L14111 DI 10.1029/2007GL030039 PG 4 WC Geosciences, Multidisciplinary SC Geology GA 195NV UT WOS:000248419800004 ER PT J AU Wang, J Daum, PH Kleinman, LI Lee, YN Schwartz, SE Springston, SR Jonsson, H Covert, D Elleman, R AF Wang, Jian Daum, Peter H. Kleinman, Lawrence I. Lee, Yin-Nan Schwartz, Stephen E. Springston, Stephen R. Jonsson, Haflidi Covert, David Elleman, Robert TI Observation of ambient aerosol particle growth due to in-cloud processes within boundary layers SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID LIGHT-ABSORPTION; SO2; OXIDATION; AIRCRAFT; H2O2; CALIBRATION; LIMITATION; EFFICIENCY; CHEMISTRY AB Aerosol microphysical and optical properties were measured on board the CIRPAS Twin Otter aircraft during 16 flights at the Southern Great Plain (SGP) site in northern central Oklahoma as part of the Aerosol Intensive Operation period in May 2003. Within well-mixed boundary layers on four cloudy days, vertical profiles measured on board the Twin Otter show that dry aerosol size, volume concentration, and scattering coefficients all increased with increasing altitude, whereas the total number concentration remained essentially constant. A one-dimensional model, which uses simultaneous meteorological measurements as inputs, shows that the observed increase in aerosol volume concentration with increasing altitude is consistent with in-cloud sulfate production at the top of the boundary layer. The sulfate production rate was sufficiently fast to overcome the homogenization resulting from turbulent mixing. In contrast, on cloud-free days, measurements on a second aircraft show nearly uniform aerosol volume concentrations within well-mixed boundary layers. The observed vertical gradients in aerosol volume concentration suggest that even within well-mixed boundary layers, surface measurements may not be representative of aerosols properties ( e. g., loading and scattering coefficients, etc.) at elevated altitudes, especially when SO2 concentration and cloud coverage are high. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. USN, Postgrad Sch, Monterey, CA 93933 USA. Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. RP Wang, J (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. EM jian@bnl.gov RI Schwartz, Stephen/C-2729-2008; Wang, Jian/G-9344-2011 OI Schwartz, Stephen/0000-0001-6288-310X; NR 30 TC 5 Z9 5 U1 1 U2 7 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 25 PY 2007 VL 112 IS D14 AR D14207 DI 10.1029/2006JD007989 PG 13 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 195OM UT WOS:000248421500004 ER PT J AU Brotton, SJ Shapiro, R van der Laan, G Guo, J Glans, PA Ajello, JM AF Brotton, Stephen J. Shapiro, Russell van der Laan, Gerrit Guo, Jinghua Glans, Per-Anders Ajello, Joseph M. TI Valence state fossils in Proterozoic stromatolites by L-edge X-ray absorption spectroscopy SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID BANDED IRON-FORMATIONS; MAGNETIC CIRCULAR-DICHROISM; LAKE-SUPERIOR REGION; MERIDIANI-PLANUM; GUNFLINT FORMATION; MOSSBAUER SPECTROMETER; SEDIMENTARY-ROCKS; HIGH-RESOLUTION; SPIRIT ROVER; GUSEV CRATER AB Paleoproterozioc (ca. 1.9 Ga) stromatolites from the Biwabik Iron-Formation (Minnesota, United States) contain fossil forms which in the literature have been attributed to ancient microbes including iron- oxidising bacteria and cyanobacteria. To search for valence state fossils, we measured Fe3+/Sigma Fe (Sigma Fe = Fe2+ + Fe3+) transverse to the laminae of a Biwabik, probably biogenic stromatolite and compared the results with a scan across the enclosing, likely abiotic sedimentary rock (or interstromatolite fill). To obtain Fe3+/Sigma Fe and information about the site symmetry and crystal field strength, we used L-3 (2p(3/2) -> 3d) soft X-ray absorption spectroscopy and interpreted the measurements using our calculated spectra. We found that Fe3+/Sigma Fe is approximately constant at 0.3 within the stromatolite, increases steeply to around 0.6 in the region of the stromatolite-fill boundary, and then reduces significantly in the interstromatolite fill. The crystal field strength for octahedral Fe3+ increased and became more irregular as the scan moved from the stromatolite into the fill. Our results tentatively suggest that a combination of ancient biological and later diagenetic processes can produce steep gradients in Fe3+/Sigma Fe and alterations in the crystal field strength across a probable abioticbiotic boundary. To describe the L-3 absorption spectra in the stromatolite-fill region, it was necessary to include a significant Fe3+ tetrahedral component, which suggests the presence of magnetite. At other positions, fits using only octahedral Fe2+ and Fe3+ theoretical curves satisfactorily reproduce the spectra. The search for a possible new type of spatial biosignature in the valence state record for ancient stromatolites might help differentiate between the biogenic stromatolites and abiogenic stromatolite-like structures and could even be relevant to the search for fossil evidence of life in extraterrestrial rocks. C1 CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Univ Windsor, Dept Phys, Windsor, ON, Canada. Calif State Univ Los Angeles, Geol & Environm Sci, Chico, CA 95928 USA. SERC, Daresbury Lab, Magnet Spect Grp, Warrington WA4 4AD, Cheshire, England. Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester, Lancs, England. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Brotton, SJ (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. RI van der Laan, Gerrit/Q-1662-2015; Glans, Per-Anders/G-8674-2016 OI van der Laan, Gerrit/0000-0001-6852-2495; NR 89 TC 5 Z9 5 U1 1 U2 16 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD JUL 25 PY 2007 VL 112 IS G3 AR G03004 DI 10.1029/2006JG000185 PG 11 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 195PH UT WOS:000248423600001 ER PT J AU Lipton, AS Ellis, PD AF Lipton, Andrew S. Ellis, Paul D. TI Modeling the metal center of Cys(4) zinc proteins SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ESCHERICHIA-COLI ADA; INDEPENDENT METHIONINE SYNTHASE; INTEGER QUADRUPOLAR NUCLEI; STATE NMR-SPECTROSCOPY; GAUSSIAN-BASIS SETS; CRYSTAL-STRUCTURE; COHERENCE TRANSFER; REPAIR PROTEIN; SPIN SYSTEMS; ATOMS LI AB We present here a Zn-67 solid-state NMR investigation of several model complexes of zinc coordinated by four sulfurs. The lineshapes were obtained at a variety of magnetic fields from 11.7 T (500 MHz for H-1) to 21.15 T (900 MHz for 1H) and at ambient temperature down to 10 K. The quadrupole coupling constants, C-q's, ranged from 3.25 to 16.7 MHz throughout the series, while the average bond distances only spanned 2.34-2.36 angstrom. Reasonable agreement with experiment was achieved in the molecular orbital calculations using DFT methods and the local density approximation to predict electric field gradients. C1 Pacific NW Natl Lab, Macromol Struct & Dynam Directorate, Fundamental Sci Div, Richland, WA 99352 USA. RP Ellis, PD (reprint author), Pacific NW Natl Lab, Macromol Struct & Dynam Directorate, Fundamental Sci Div, Richland, WA 99352 USA. EM paul.ellis@pnl.gov FU NIBIB NIH HHS [EB002050] NR 56 TC 17 Z9 17 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 25 PY 2007 VL 129 IS 29 BP 9192 EP 9200 DI 10.1021/ja071430t PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 192FF UT WOS:000248185500051 PM 17595082 ER PT J AU Morris, JW Jin, M Minor, AM AF Morris, J. W., Jr. Jin, M. Minor, A. M. TI In situ studies of the transmission of strain across grain boundaries SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT International Symposium on Physics of Materials (ISPMA) CY AUG 30-SEP 02, 2005 CL Prague, CZECH REPUBLIC SP Charles Univ, Dept Metal Phys DE in situ microscopy; nanoindentation; grain boundary processes; nanograin plasticity; strain-induced coarsening ID MG THIN-FILMS; ELECTRON-MICROSCOPE; NANOINDENTATION; AL; STEEL AB In situ nanoindentation in a transmission electron microscope has been used to study the transmission of strain across grain boundaries in ultrafine- and nanograined metals. Several different mechanisms are revealed. In materials with mobile grain boundaries, strain is accommodated by grain boundary movement or, more interestingly, by strain-induced grain coalescence (strain-induced coarsening). In materials with fixed grain boundaries strain is transmitted by dislocation transmission across the boundary or, more commonly, by triggering deformation in adjacent grains. Dislocations are also observed to annihilate at the boundary, leading to grain boundary sliding. These mechanisms are illustrated by direct observation of the nanoindentation of nanograined Al, ultrafine grained aluminum, dislocated lath martensite and milled, ultrafine-grained Fe. (C) 2006 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94618 USA. Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Morris, JW (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, 210 Hearst Min Bldg, Berkeley, CA 94618 USA. EM jwmorris@berkeley.edu NR 13 TC 12 Z9 13 U1 0 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 25 PY 2007 VL 462 IS 1-2 SI SI BP 412 EP 417 DI 10.1016/j.msea.2006.02.461 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 175UA UT WOS:000247038300081 ER PT J AU Phillips, WS Begnaud, ML Rowe, CA Steck, LK Myers, SC Pasyanos, ME Ballard, S AF Phillips, W. S. Begnaud, M. L. Rowe, C. A. Steck, L. K. Myers, S. C. Pasyanos, M. E. Ballard, S. TI Accounting for lateral variations of the upper mantle gradient in P-n tomography studies SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID VELOCITIES BENEATH BASIN; TRAVEL-TIME TOMOGRAPHY; AZIMUTHAL ISOTROPY; RANGE PROVINCE; TIBETAN PLATEAU; CHINA; INVERSION; WAVES AB The effect of an upper mantle velocity gradient on regional arrival times has been approximated by a cubic distance term, which can be extended to two dimensions for use in tomographic studies. To demonstrate this, we add a laterally varying upper mantle gradient to the standard P-n time-term tomography technique, and apply to a data set from Asia compiled using ground truth, event location criteria. We observe strong lateral variations in the gradient, ranging from -0.001 to 0.003 s(-1), with high gradients associated with the Tethys convergence zone. The gradient patterns may reflect lateral variations in the thermal gradient of the mantle lid. Variance reduction is 63% with respect to Pn tomography without gradients. Adding gradients allows the use of longer path lengths, improving velocity image definition in high-gradient regions with sparse station distribution, such as Tibet. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Phillips, WS (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. RI Pasyanos, Michael/C-3125-2013; Myers, Stephen/K-1368-2014; OI Rowe, Charlotte/0000-0001-5803-0147; Myers, Stephen/0000-0002-0315-5599; Begnaud, Michael/0000-0002-1491-9451 NR 26 TC 25 Z9 25 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 24 PY 2007 VL 34 IS 14 AR L14312 DI 10.1029/2007GL029338 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 195NU UT WOS:000248419700001 ER PT J AU Qian, Y Leung, LR AF Qian, Yun Leung, L. Ruby TI A long-term regional simulation and observations of the hydroclimate in China SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ASIAN SUMMER MONSOON; WESTERN UNITED-STATES; CLIMATE MODEL REGCM2; EAST-ASIA; PART I; RADIATIVE-TRANSFER; BOUNDARY-LAYER; CHEMISTRY/AEROSOL MODEL; ANTHROPOGENIC AEROSOLS; VARIABILITY AB [1] This paper provides detailed analyses of observations and a 20-year regional climate simulation to improve our understanding of the diverse hydroclimate regimes in China and examine model skill in simulating the seasonal, intraseasonal, and interannual hydroclimatic variations. Eastern China is greatly influenced by the East Asian monsoon, leading to heavy summer rainfall that exhibits large variations at the intraseasonal and interannual timescales. The Hai River and Huai River basins feature the largest interannual variations in summer rainfall followed by the middle and lower Yangtze River and Pearl River basins. In the wettest regions of the middle and lower Yangtze River basin ( YRB) and Southeast Coast, the land surface plays a relatively passive role as evaporation is not limited by soil moisture. In the semiarid northern and western China, the land surface plays a more active role in the water cycle. This is supported by the strong correlations between soil moisture and sensible heat flux, evaporative fraction, and mixed-layer depth, indicating a strong influence of soil wetness on atmospheric stability and precipitation processes. The overall spatial distribution, seasonal variations, and extreme precipitation are well simulated by the regional climate model ( RCM). The model also captured the large-scale spatial variations of annual mean soil moisture and runoff. However, the simulation produces more rainfall associated with the lower rain rates in central and southern China. Errors in the rain-rate distributions can affect the simulation of surface hydrological processes. In addition, compared with the global reanalysis that provides the large-scale boundary conditions, the simulation yielded lower anomaly correlations of interannual summer rainfall with observations. This suggests that simulating the interannual variability of rainfall at the river-basin scale during the East Asian summer monsoon remains a significant challenge and deserves further studies to understand the causes for the model errors. C1 Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99354 USA. RP Qian, Y (reprint author), Pacific NW Natl Lab, Climate Phys Grp, POB 999,MS K9-24, Richland, WA 99354 USA. EM yun.qian@pnl.gov RI qian, yun/A-5056-2010; qian, yun/E-1845-2011 NR 66 TC 35 Z9 35 U1 1 U2 8 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 24 PY 2007 VL 112 IS D14 AR D14104 DI 10.1029/2006JD008134 PG 21 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 195OK UT WOS:000248421300001 ER PT J AU Choi, SG Palmstrom, CJ Kim, YD Aspnes, DE Kim, HJ Chang, YC AF Choi, S. G. Palmstrom, C. J. Kim, Y. D. Aspnes, D. E. Kim, H. J. Chang, Yia-Chung TI Dielectric functions and electronic structure of InAsxP1-x films on InP SO APPLIED PHYSICS LETTERS LA English DT Article ID MOLECULAR-BEAM EPITAXY; OPTICAL-PROPERTIES; ALLOYS; ELECTROREFLECTANCE; INAS; GE; SI; PARAMETERS; LASERS; LAYER AB The authors present room-temperature pseudodielectric function spectra of InAsxP1-x films grown on (001) InP by chemical beam epitaxy. A wet-chemical etching procedure was used to remove overlayers and obtain the best approximation to the bulk dielectric responses epsilon of the films. By line shape fitting, we determine the compositional dependences of the E-1, E-1+Delta(1), E-0('), E-2, and E-2(') critical-point energies. The results are in good agreement with calculations of the electronic structure done by the linear augmented Slater-type orbital method. C1 Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. Kyung Hee Univ, Dept Phys, Seoul 130701, South Korea. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. Acad Sinica, Res Ctr Appl Sci, Taipei 115, Taiwan. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. RP Palmstrom, CJ (reprint author), Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. EM palms001@umn.edu RI Chang, Yia-Chung/F-4239-2011; Choi, Sukgeun/J-2345-2014 NR 19 TC 16 Z9 16 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 23 PY 2007 VL 91 IS 4 AR 041917 DI 10.1063/1.2766682 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500040 ER PT J AU Eimuller, T Scholl, A Ludescher, B Schutz, G Thiele, JU AF Eimueller, T. Scholl, A. Ludescher, B. Schuetz, G. Thiele, J.-U. TI Slow relaxation of spin reorientation following ultrafast optical excitation SO APPLIED PHYSICS LETTERS LA English DT Article ID MAGNETIZATION DYNAMICS; REVERSAL; FERROMAGNETS; INPLANE; FILMS; FIELD AB The magnetization dynamic of a thermally driven spin reorientation transition is investigated in an optical pump-x-ray-probe imaging experiment with 100 nm resolution. Excitation of a Fe/Gd multilayer with a short laser pulse triggers a fast rotation of the magnetization out of the sample plane. Interestingly, relaxation back into the plane takes several nanoseconds, notedly longer than thermal relaxation. (C) 2007 American Institute of Physics. C1 Ruhr Univ Bochum, Junior Res Grp Magnet Microscopy, D-44780 Bochum, Germany. Adv Light Source, LBNL, Berkeley, CA 94720 USA. Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Hitachi Global Storage Technol, San Jose, CA 95135 USA. RP Eimuller, T (reprint author), Ruhr Univ Bochum, Junior Res Grp Magnet Microscopy, D-44780 Bochum, Germany. EM thomas.eimueller@rub.de RI Scholl, Andreas/K-4876-2012 NR 22 TC 6 Z9 6 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 23 PY 2007 VL 91 IS 4 AR 042508 DI 10.1063/1.2760152 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500065 ER PT J AU Jiang, WH Jiang, F Green, BA Liu, FX Liaw, PK Choo, H Qiu, KQ AF Jiang, W. H. Jiang, F. Green, B. A. Liu, F. X. Liaw, P. K. Choo, H. Qiu, K. Q. TI Electrochemical corrosion behavior of a Zr-based bulk-metallic glass SO APPLIED PHYSICS LETTERS LA English DT Article ID STRUCTURAL RELAXATION; MECHANICAL-PROPERTIES; AMORPHOUS-ALLOYS; NANOCRYSTALLIZATION; COMPRESSION AB Using cyclic-anodic-polarization tests, the corrosion behaviors of the as-cast, deformed, and relaxed Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 bulk-metallic glasses were investigated. Their corrosion behaviors are related to the amount of free volume. As the free volume decreased, the glasses became more corrosion resistant. The as-cast and the deformed glasses are less resistant to pit propagation, while the relaxed one is more vulnerable to pit nucleation. It is thought that an increase in free volume favors the pit propagation, and the chemical ordering caused by the relaxation may promote the pit nucleation. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Shenyang Univ Technol, Sch Mat Sci & Engn, Shenyang 110023, Peoples R China. RP Jiang, WH (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM wjiang5@utk.edu RI Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 NR 15 TC 36 Z9 36 U1 4 U2 25 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 23 PY 2007 VL 91 IS 4 AR 041904 DI 10.1063/1.2762282 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500027 ER PT J AU Kim, DH Lee, HN Biegalski, MD Christen, HM AF Kim, Dae Ho Lee, Ho Nyung Biegalski, Michael D. Christen, Hans M. TI Large ferroelectric polarization in antiferromagnetic BiFe0.5Cr0.5O3 epitaxial films SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; TRANSITIONS AB Multiferroic BiFe0.5Cr0.5O3 solid solution epitaxial films were grown by pulsed laser deposition on SrTiO3 (001) substrates with SrRuO3 bottom electrodes. Formation of the metastable composition in the form of high-quality epitaxial films was made possible by a sequential deposition of 0.1 unit cell amounts of BiFeO3 and BiCrO3. The random distribution of Fe and Cr cation results in a linear response of magnetization with varying magnetic field, consistent with a dominant antiferromagnetic order. Polarization measurements at 77.3 K reveal ferroelectric hysteresis with a remanent polarization as high as 60 +/- 1 mu C/cm(2) along the pseudocubic [001] direction. (C) 2007 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Kim, DH (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM kimdh@ornl.gov RI Kim, Dae Ho/B-4670-2012; Christen, Hans/H-6551-2013; Lee, Ho Nyung/K-2820-2012 OI Christen, Hans/0000-0001-8187-7469; Lee, Ho Nyung/0000-0002-2180-3975 NR 16 TC 41 Z9 44 U1 3 U2 36 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 23 PY 2007 VL 91 IS 4 AR 042906 DI 10.1063/1.2763964 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500071 ER PT J AU Pinnaduwage, LA Zhao, W Gehl, AC Allman, SL Shepp, A Mahmud, KK Leis, JW AF Pinnaduwage, L. A. Zhao, W. Gehl, A. C. Allman, S. L. Shepp, A. Mahmud, K. K. Leis, J. W. TI Quantitative analysis of ternary vapor mixtures using a microcantilever-based electronic nose SO APPLIED PHYSICS LETTERS LA English DT Article ID ODOR DISCRIMINATION; ARRAYS; IDENTIFICATION AB The authors report the identification and quantification of the components of a ternary vapor mixture using a microcantilever-based electronic nose. An artificial neural network was used for pattern recognition. Dimethyl methyl phosphonate vapor in ppb concentrations and water and ethanol vapors in ppm concentrations were quantitatively identified either individually or in binary and ternary mixtures at varying concentrations. (C) 2007 American Institute of Physics. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Triton Syst Inc, Chelmsford, MA 01824 USA. Univ So Queensland, Dept Elect Elect & Comp Engn, Toowoomba, Qld 4350, Australia. RP Pinnaduwage, LA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM llp@ornl.gov RI Allman, Steve/A-9121-2011 OI Allman, Steve/0000-0001-6538-7048 NR 19 TC 7 Z9 8 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 23 PY 2007 VL 91 IS 4 AR 044105 DI 10.1063/1.2763965 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500109 ER PT J AU Tamura, J Okamura, M Kanesue, T Kondrashev, S AF Tamura, Jun Okamura, Masahiro Kanesue, Takeshi Kondrashev, Sergei TI Ion generation from a solidified Ne target for a laser ion source SO APPLIED PHYSICS LETTERS LA English DT Article AB Laser plasmas from solidified neon on a cold surface were investigated for a laser ion source application. A Nd:YAG laser could generate Ne ions with a charge state up to 6+. The ion current density reached about 1.2 mA/cm(2) at 2.3 m from the target. The approach is applicable for the most of gas species with at least 1 Hz operation. C1 Tokyo Inst Technol, Dept Energy Sci, Midori Ku, Yokohama, Kanagawa 2268502, Japan. RIKEN, Wako, Saitama 3510198, Japan. Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. Kyushu Univ, Dept Appl Quantum Phys & Nucl Engn, Nishi Ku, Fukuoka 8190395, Japan. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Tamura, J (reprint author), Tokyo Inst Technol, Dept Energy Sci, Midori Ku, 4259 Nagatsuta-cho, Yokohama, Kanagawa 2268502, Japan. EM jtamura@riken.jp; okamura@bnl.gov; kanesue@kune2a.nucl.kyushu-u.ac.jp; kondrashev@anl.gov NR 2 TC 2 Z9 2 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 23 PY 2007 VL 91 IS 4 AR 041504 DI 10.1063/1.2760147 PG 3 WC Physics, Applied SC Physics GA 194LI UT WOS:000248345500022 ER PT J AU Li, B Corbett, JD AF Li, Bin Corbett, John D. TI Different cation arrangements in au-in networks. Syntheses and structures of six intermetallic compounds in alkali-metal-Au-In systems SO INORGANIC CHEMISTRY LA English DT Article ID EFFECTIVE IONIC-RADII; CRYSTAL-STRUCTURE; BUILDING UNITS; CLUSTER PHASE; GOLD-INDIUM; HOLLANDITE; STABILIZATION; FRAMEWORKS; SODIUM; CHAINS AB Six robust intermetallic compounds with cations in three different tunnel-like structures have been synthesized in alkali-metal-Au-In systems via high-temperature solid-state methods and characterized by X-ray diffraction: AAu(4)-In-6 [A = K (I), Rb (II), P6m2, Z = 1], K-1.76(6) Au6In4 (III, /4/mcm, Z = 4), and A(x)Au(2)In(2) [x approximate to 0.7, A) K (IV), Rb (V), Cs (VI), P4(2)/nmc, Z = 8]. The first type is constructed from a single cage unit: an alkali-metal-centered 21-vertex polyhedron A@Au9In(12) with 6-9-6 arrangement of planar rings. The others contain uniaxial arrays of tunnels built of differently puckered eight- and four-member Au/In rings. The largely different cation distributions depend on the tunnel constitutions and cation sizes. Tight-binding electronic structure calculations by linear muffin-tin-orbital (LMTO) methods were performed for I and idealized III in order to help understand their chemical bonding. These also reveal large differences in relativistic effects for Au d orbitals, as well as for different Au sites in each structure. C1 Iowa State Univ Sci & Technol, Ames Lab, DOE, Ames, IA 50011 USA. Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ Sci & Technol, Ames Lab, DOE, Ames, IA 50011 USA. EM jcorbett@iastate.edu NR 33 TC 30 Z9 30 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD JUL 23 PY 2007 VL 46 IS 15 BP 6022 EP 6028 DI 10.1021/ic700519c PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 189TL UT WOS:000248011300030 PM 17580937 ER PT J AU Guo, QX Zhao, YS Jiang, C Mao, WL Wang, ZW Zhang, JZ Wang, YJ AF Guo, Qixun Zhao, Yusheng Jiang, Chao Mao, Wendy L. Wang, Zhongwu Zhang, Jianzhong Wang, Yuejian TI Pressure-induced cubic to monoclinic phase transformation in erbium sesquioxide Er2O3 SO INORGANIC CHEMISTRY LA English DT Article ID RARE-EARTH SESQUIOXIDES; X-RAY-DIFFRACTION; B-TYPE; TRANSITION; POLYMORPHISM AB Cubic Er2O3 was compressed in a symmetric diamond anvil cell at room temperature and studied in situ using energy-dispersive X-ray diffraction. A transition to a monoclinic phase began at 9.9 GPa and was complete at 16.3 GPa and was accompanied by a similar to 9% volume decrease. The monoclinic phase was stable up to at least 30 GPa and could be quenched to ambient conditions. The normalized lattice parameter compression data for both phases were fit to linear equations, and the volume compression data were fit to third-order Birch-Murnaghan equations of state. The zero-pressure isothermal bulk moduli (B-0) and the first-pressure derivatives (B-0 ') for the cubic and monoclinic phases were 200(6) GPa and 8.4 and also 202(2) GPa and 1.0, respectively. Ab initio density functional theory calculations were performed to determine optimized lattice parameters and atom positions for the cubic, monoclinic, and hexagonal phases of Er2O3. The calculated X-ray spectra and predicted transition pressure are in good qualitative agreement with the experimental results. C1 Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA. Cornell Univ, Wilson Lab, CHESS, Ithaca, NY 14853 USA. Los Alamos Natl Lab, MST, Los Alamos, NM 87545 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. RP Guo, QX (reprint author), Los Alamos Natl Lab, LANSCE, POB 1663, Los Alamos, NM 87545 USA. EM qxguo@lanl.gov RI Mao, Wendy/D-1885-2009; Jiang, Chao/A-2546-2011; Lujan Center, LANL/G-4896-2012; Jiang, Chao/D-1957-2017; OI Jiang, Chao/0000-0003-0610-6327; Zhang, Jianzhong/0000-0001-5508-1782 NR 21 TC 37 Z9 40 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 23 PY 2007 VL 46 IS 15 BP 6164 EP 6169 DI 10.1021/ic070154g PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 189TL UT WOS:000248011300046 PM 17595073 ER PT J AU Andre, N Persoon, AM Goldstein, J Burch, JL Louarn, P Lewis, GR Rymer, AM Coates, AJ Kurth, WS Sittler, EC Thomsen, MF Crary, FJ Dougherty, MK Gurnett, DA Young, DT AF Andre, N. Persoon, A. M. Goldstein, J. Burch, J. L. Louarn, P. Lewis, G. R. Rymer, A. M. Coates, A. J. Kurth, W. S. Sittler, E. C., Jr. Thomsen, M. F. Crary, F. J. Dougherty, M. K. Gurnett, D. A. Young, D. T. TI Magnetic signatures of plasma-depleted flux tubes in the Saturnian inner magnetosphere SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID DYNAMICS AB Initial Cassini observations have revealed evidence for interchanging magnetic flux tubes in the inner Saturnian magnetosphere. Some of the reported flux tubes differ remarkably by their magnetic signatures, having a depressed or enhanced magnetic pressure relative to their surroundings. The ones with stronger fields have been interpreted previously as either outward moving mass-loaded or inward moving plasma-depleted flux tubes based on magnetometer observations only. We use detailed multi-instrumental observations of small and large density depletions in the inner Saturnian magnetosphere from Cassini Rev. A orbit that enable us to discriminate amongst the two previous and opposite interpretations. Our analysis undoubtedly confirms the similar nature of both types of reported interchanging magnetic flux tubes, which are plasma-depleted, whatever their magnetic signatures are. Their different magnetic signature is clearly an effect associated with latitude. These Saturnian plasma-depleted flux tubes ultimately may play a similar role as the Jovian ones. C1 European Space Agcy, ESTEC, Sci Support Dept, NL-2200 AG Noordwijk, Netherlands. UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. SW Res Inst, San Antonio, TX 78238 USA. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BZ, England. Univ Iowa, Dept Phys & Astron, Iowa City, IA 52242 USA. Ctr Etud Spatiales Rayonnements, F-31028 Toulouse, France. Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Andre, N (reprint author), European Space Agcy, ESTEC, Sci Support Dept, SCI SM Keplerlaan 1, NL-2200 AG Noordwijk, Netherlands. EM nandre@rssd.esa.int RI Coates, Andrew/C-2396-2008; OI Coates, Andrew/0000-0002-6185-3125; Kurth, William/0000-0002-5471-6202 FU Science and Technology Facilities Council [PP/D00084X/1] NR 19 TC 30 Z9 30 U1 0 U2 4 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 21 PY 2007 VL 34 IS 14 AR L14108 DI 10.1029/2007GL030374 PG 7 WC Geosciences, Multidisciplinary SC Geology GA 193PA UT WOS:000248285300006 ER PT J AU Zhou, J Garand, E Eisfeld, W Neumark, DM AF Zhou, Jia Garand, Etienne Eisfeld, Wolfgang Neumark, Daniel M. TI Slow electron velocity-map imaging spectroscopy of the 1-propynyl radical SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID HIGH-RESOLUTION PHOTODETACHMENT; BOND-DISSOCIATION ENERGIES; FRANCK-CONDON PRINCIPLE; POLYATOMIC-MOLECULES; PHOTOELECTRON-SPECTROSCOPY; PROPARGYL RADICALS; VIBRONIC TRANSITIONS; DYNAMICAL SYMMETRY; ABSORPTION-SPECTRA; WAVE-FUNCTIONS AB High resolution photoelectron spectra of the 1-propynyl and 1-propynyl-d(3) anions acquired with slow electron velocity-map imaging are presented. The electron affinity is determined to be 2.7355 +/- 0.0010 eV for the 1-propynyl radical and 2.7300 +/- 0.0010 eV for 1-propynyl-d(3). Several vibronic transitions are observed and assigned using the isotopic shifts and results from ab initio calculations. Good agreement between experimental spectra and calculations suggests a C-3v geometry for the 1-propynyl radical. No evidence is found for strong vibronic coupling between the ground electronic state and the low-lying first excited state. (C) 2007 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Bielefeld, D-33615 Bielefeld, Germany. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM dneumark@berkeley.edu RI Neumark, Daniel/B-9551-2009; Eisfeld, Wolfgang/A-7561-2012; OI Neumark, Daniel/0000-0002-3762-9473; Garand, Etienne/0000-0001-5062-5453 NR 50 TC 16 Z9 16 U1 1 U2 9 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 21 PY 2007 VL 127 IS 3 AR 034304 DI 10.1063/1.2748399 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 192IK UT WOS:000248194300018 PM 17655440 ER PT J AU Edgcombe, CJ de Jonge, N AF Edgcombe, C. J. de Jonge, N. TI Deduction of work function of carbon nanotube field emitter by use of curved-surface theory SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID EMISSION AB The theory given earlier for field emission from a curved surface has been extended to use the parameter d characterizing the energy distribution. Measurement of the curvature of the Fowler-Nordheim plot together with d for the same emitter enables the work function of the surface to be deduced, together with emitter radius, notional surface field, effective solid angle of emission and supply factor. For this calculation an assumed form of potential distribution was used, but it is desirable to repeat the calculation with a potential obtained from atomic-scale simulation. C1 Univ Cambridge, Dept Phys, Cambridge CB3 0HE, England. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Edgcombe, CJ (reprint author), Univ Cambridge, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England. EM cje1@cam.ac.uk RI de Jonge, Niels/B-5677-2008 NR 12 TC 13 Z9 13 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD JUL 21 PY 2007 VL 40 IS 14 BP 4123 EP 4128 DI 10.1088/0022-3727/40/14/005 PG 6 WC Physics, Applied SC Physics GA 188OY UT WOS:000247930400006 ER PT J AU Dahari, H Lo, A Ribeiro, RM Perelson, AS AF Dahari, Harel Lo, Arthur Ribeiro, Ruy M. Perelson, Alan S. TI Modeling hepatitis C virus dynamics: Liver regeneration and critical drug efficacy SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE mathematical modeling; hepatitis C virus; viral kinetics; critical drug efficacy; liver regeneration ID VIRAL DYNAMICS; PLUS RIBAVIRIN; IN-VIVO; INFECTION; INTERFERON; CLEARANCE; KINETICS; THERAPY; TRANSPLANTATION; VIREMIA AB Mathematical models for hepatitis C viral (HCV) RNA kinetics have provided a means of evaluating the antiviral effectiveness of therapy, of estimating parameters such as the rate of HCV RNA clearance, and they have suggested mechanism of action against HCV for both interferon and ribavirin. Nevertheless, the model that was originally formulated by Neumann et al. [1998. Hepatitis C viral dynamics in vivo and the antiviral efficacy of interferon-alpha therapy. Science 282 (5386), 103-107] is unable to explain all of the observed HCV RNA profiles under treatment e.g., a triphasic viral decay and a viral rebound to baseline values after the cessation of therapy. Further, the half-life of productively HCV-infected cells, estimated from the second phase HCV RNA decline slope, is very variable and sometimes zero with no clear understanding of why. We show that extending the original model by including hepatocyte proliferation yields a more realistic model without any of these deficiencies. Further, we define and characterize a critical drug efficacy, such that for efficacies above the critical value HCV is ultimately cleared, while for efficacies below it, a new chronically infected viral steady-state level is reached. Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Entelos Corp, Foster City, CA 94404 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, MS-K710, Los Alamos, NM 87545 USA. EM asp@lanl.gov OI Ribeiro, Ruy/0000-0002-3988-8241 FU NCRR NIH HHS [RR06555, P20 RR018754, P20 RR018754-04, P20-RR18754, R01 RR006555, R01 RR006555-16]; NIH HHS [R01 OD011095] NR 27 TC 56 Z9 57 U1 0 U2 4 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 J9 J THEOR BIOL JI J. Theor. Biol. PD JUL 21 PY 2007 VL 247 IS 2 BP 371 EP 381 DI 10.1016/j.jtbi.2007.03.006 PG 11 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 186SG UT WOS:000247797900014 PM 17451750 ER PT J AU Furlanetto, SR Furlanetto, MR AF Furlanetto, Steven R. Furlanetto, Michael R. TI Spin exchange rates in proton-hydrogen collisions SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE atomic processes; scattering; diffuse radiation ID HIGH-REDSHIFT; 21-CM LINE; ELASTIC-SCATTERING; CROSS-SECTIONS; ATOMS; FLUCTUATIONS; REIONIZATION; TOMOGRAPHY; UNIVERSE; EPOCH AB The spin temperature of neutral hydrogen, which determines the optical depth and brightness of the 21-cm line, is determined by the competition between radiative and collisional processes. Here, we examine the role of proton-hydrogen collisions in setting the spin temperature. We use recent fully quantum-mechanical calculations of the relevant cross-sections, which allow us to present accurate results over the entire physically relevant temperature range 1-10(4) K. For kinetic temperatures T-K greater than or similar to 100 K, the proton-hydrogen rate coefficient exceeds that for hydrogen-hydrogen collisions by about a factor of 2. However, at low temperatures (T-K less than or similar to 5 K) H-H+ collisions become several thousand times more efficient than H-H and even more important than H-e(-) collisions. C1 Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06520 USA. Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Furlanetto, SR (reprint author), Yale Univ, Yale Ctr Astron & Astrophys, POB 208121, New Haven, CT 06520 USA. EM steven.furlanetto@yale.edu; mfurlanetto@lanl.gov NR 30 TC 14 Z9 14 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2007 VL 379 IS 1 BP 130 EP 134 DI 10.1111/j.1365-2966.2007.11921.x PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 194WF UT WOS:000248373800014 ER PT J AU Panaitescu, A AF Panaitescu, A. TI Swift gamma-ray burst after-glows and the forward-shock model SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE radiation mechanisms : non-thermal; shock waves; gamma-rays : bursts ID SELF-COMPTON EMISSION; LIGHT CURVES; THEORETICAL IMPLICATIONS; ENERGY INJECTION; VIEWING ANGLE; ENERGETICS; REDSHIFT; BREAK; GRBS; LONG AB The X-ray light curves of the gamma-ray burst (GRB) afterglows monitored by Swift display one to four phases of power-law decay. In the chronological order they are: the burst tail, the 'hump', the standard decay, and the post-jet-break decay. We compare the decay indices and spectral slopes measured during each phase with the expectations for the forward-shock model to identify the processes which may be at work and to constrain some of their properties. The large-angle emission produced during the burst, but arriving at observer later, is consistent with the GRB tail decay for less than half of bursts. Several afterglows exhibit a slow, unbroken power-law decay from burst end until 1 d, showing that the forward-shock emission is, sometimes, present from the earliest afterglow observations. In fact, the forward-shock synchrotron emission from a very narrow jet (half-angle less than 1 degrees) is consistent with the decay of 75 per cent of GRB tails. The forward-shock inverse-Compton emission from a narrow jet that does not expand sideways also accommodates the decay of 80 per cent of GRB tails. The X-ray light curve hump can be attributed to an increasing kinetic energy per solid angle of the forward-shock region visible to the observer. This increase could be due to the emergence of the emission from an outflow seen from a location outside its opening. However, the correlations among the hump timing, flux, and decay index expected in this model are not confirmed by observations. Thus, the increase in the forward-shock kinetic energy is more likely caused by some incoming ejecta arriving at the shock during the afterglow phase. The jet interpretation for the burst tails and the energy injection scenario for the hump lead to a double-jet outflow structure consisting of a narrow GRB jet which precedes a wider afterglow outflow of lower kinetic energy per solid angle but higher total energy. C1 Los Alamos Natl Lab, Space Sci & Applicat, Los Alamos, NM 87545 USA. RP Panaitescu, A (reprint author), Los Alamos Natl Lab, Space Sci & Applicat, MS D466, Los Alamos, NM 87545 USA. EM alin@lanl.gov NR 57 TC 36 Z9 37 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2007 VL 379 IS 1 BP 331 EP 342 DI 10.1111/j.1365-2966.2007.11956.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 194WF UT WOS:000248373800036 ER PT J AU Watts, AL Reddy, S AF Watts, Anna L. Reddy, Sanjay TI Magnetar oscillations pose challenges for strange stars SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE equation of state; stars : magnetic fields; stars : neutron; stars : oscillations; X-rays : stars ID X-RAY OSCILLATIONS; NEUTRON-STARS; GIANT-FLARE; NONRADIAL OSCILLATIONS; 2004 HYPERFLARE; DENSE MATTER; SGR 1806-20; CRUST; SGR-1806-20; DISCOVERY AB Compact relativistic stars allow us to study the nature of matter under extreme conditions, probing regions of parameter space that are otherwise inaccessible. Nuclear theory in this regime is not well constrained: one key issue is whether neutron stars are in fact composed primarily of strange quark matter. Distinguishing the two possibilities, however, has been difficult. The recent detection of seismic vibrations in the aftermath of giant flares from two magnetars (highly magnetized compact stars) is a major breakthrough. The oscillations excited seem likely to involve the stellar crust, the properties of which differ dramatically for strange stars. We show that the resulting mode frequencies cannot be reconciled with the observations for reasonable magnetar parameters. Ruling out strange star models would place a strong constraint on models of dense quark matter. C1 Max Planck Inst Astrophys, D-85741 Garching, Germany. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Watts, AL (reprint author), Max Planck Inst Astrophys, Karl-Schwarszchild Str 1, D-85741 Garching, Germany. EM anna@mpa-garching.mpg.de NR 29 TC 26 Z9 26 U1 1 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JUL 21 PY 2007 VL 379 IS 1 BP L63 EP L66 DI 10.1111/j.1745-3933.2007.00336.x PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 194WF UT WOS:000248373800058 ER PT J AU Walston, S Boogert, S Chungg, C Fitsos, P Frisch, J Gronberg, J Hayano, H Honda, Y Kolomensky, Y Lyapin, A Malton, S May, J McCormick, D Meller, R Miller, D Orinioto, T Ross, M Slater, M Smith, S Smith, T Terunuma, N Thomson, M Urakawa, J Vogel, V Ward, D White, G AF Walston, Sean Boogert, Stewart Chungg, Carl Fitsos, Pete Frisch, Joe Gronberg, Jeff Hayano, Hitoshi Honda, Yosuke Kolomensky, Yury Lyapin, Alexey Malton, Stephen May, Justin McCormick, Douglas Meller, Robert Miller, David Orinioto, Toyoko Ross, Marc Slater, Mark Smith, Steve Smith, Tonee Terunuma, Nobuhiro Thomson, Mark Urakawa, Junji Vogel, Vladimir Ward, David White, Glen TI Performance of a high resolution cavity beam position monitor system SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE cavity beam position monitor; BPM; accelerator test facility; ATF; international linear collider; ILC AB It has been estimated that an RF cavity Beam Position Monitor (BPM) could provide a position measurement resolution of less than 1nm. We have developed a high resolution cavity BPM and associated electronics. A triplet comprised of these BPMs was installed in the extraction line of the Accelerator Test Facility (ATF) at the High Energy Accelerator Research Organization (KEK) for testing with its ultra-low emittance beam. The three BPMs were each rigidly mounted inside an alignment frame on six variable-length struts which could be used to move the BPMs in position and angle. We have developed novel methods for extracting the position and tilt information from the BPM signals including a robust calibration algorithm which is immune to beam jitter. To date, we have demonstrated a position resolution of 15.6 nm and a tilt resolution of 2.1 mu rad over a dynamic range of approximately +/- 20 mu m. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Cambridge, Cambridge, England. Univ London, Egham, Surrey, England. Deutsches Elektronen Synchrotron, Hamburg, Germany. Cornell Univ, Ithaca, NY USA. Lawrence Livermore Natl Lab, Livermore, CA USA. UCL, London, England. Stanford Linear Accelerator Ctr, Menlo Pk, CA USA. CALTECH, Pasadena, CA 91125 USA. High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. RP Walston, S (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. EM walston2@llnl.gov RI urakawa, junji/F-4763-2014; Kolomensky, Yury/I-3510-2015; OI Kolomensky, Yury/0000-0001-8496-9975; Thomson, Mark/0000-0002-2654-9005 NR 13 TC 30 Z9 32 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 1 EP 22 DI 10.1016/j.nima.2007.04.162 PG 22 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500001 ER PT J AU Drake, G Repond, J Underwood, D Xia, L AF Drake, Gary Repond, Jose Underwood, David Xia, Lei TI Resistive Plate Chambers for hadron calorimetry: Tests with analog readout SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE calorimetry; linear collider; particle flow algorithms; resistive plate chambers AB Resistive Plate Chambers (RPCs) are being developed for use in a hadron calorimeter with very fine segmentation of the readout. The design of the chambers and various tests with cosmic rays are described. This paper reports on the measurements with multi-bit (or analog) readout of either a single larger or multiple smaller readout pads. (c) 2007 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Repond, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM repond@hep.anl.gov NR 5 TC 21 Z9 21 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 2007 VL 578 IS 1 BP 88 EP 97 DI 10.1016/j.nima.2007.04.160 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500008 ER PT J AU Ahmad, A Albrechtskirchinger, Z Allport, PP Alonso, J Andricek, L Apsimon, RJ Barr, AJ Bates, RL Beck, GA Bell, PJ Belymam, A Benes, J Berg, CM Bernabeu, J Bethke, S Bingefors, N Bizzell, JP Bohm, J Brenner, R Brodbeck, TJ De Renstrom, PB Buttar, CM Campbell, D Carpentieri, C Carter, AA Carter, JR Charlton, DG Casse, GL Chilingarov, A Cindro, V Ciocio, A Civera, JV Clark, AG Colijn, AP Costa, MJ Dabrowski, W Danielsen, KM Dawson, I Demirkoz, B Dervan, P Dolezal, Z Dorholt, O Duerdoth, IP Dwuznik, M Eckert, S Ekelof, T Eklund, L Escobar, C Fasching, D Feld, L Ferguson, DPS Ferrere, D Fortin, R Foster, JM Fox, H French, R Fromant, BP Fujita, K Fuster, J Gadomski, S Gallop, BJ Garcia, C Garcia-Navarro, JE Gibson, MD Gonzalez, S Gonzalez-Sevilla, S Goodrick, MJ Gornicki, E Green, C Greenall, A Grigson, C Grillo, AA Grosse-Knetter, J Haber, C Handa, T Hara, K Harper, RS Hartjes, FG Hashizaki, T Hauff, D Hessey, NP Hill, JC Holins, TI Holt, S Horazdovsky, T Hornung, M Hovland, KM Hughes, G Huse, T Ikegami, Y Iwata, Y Jckson, JN Jakobs, K Jared, RC Johansen, LG Jones, RWL Jones, TJ de Jong, P Joseph, J Jovanovic, P Kaplon, J Kato, Y Ketterer, C Kindervaag, IM Kodys, P Koffeman, E Kohriki, T Kohout, Z Kondo, T Koperny, S van der Kraaij, E Kral, V Kramberger, G Kudlaty, J Lacasta, C Limper, M Linhart, V Llosa, G Lozano, M Ludwig, I Ludwig, J Lutz, G Macpherson, A McMahon, SJ Macina, D Magrath, CA Malecki, P Mandic, I Marti-Garcia, S Matsuo, T Meinhardt, J Mellado, B Mercer, IJ Mikestikova, M Mikuz, M Minano, M Mistry, J Mitsou, V ModeSto, P Mohn, B Molloy, SD Moorhead, G Moraes, A Morgan, D Morone, MC Morris, J Moser, HG Moszczynski, A Muijs, AJM Nagai, K Nakamura, Y Nakano, I Nicholson, R Niinikoski, T Nisius, R Ohsugi, T O'Shea, V Oye, OK Parzefall, U Pater, JR Pernegger, H Phillips, PW Pospisil, S Ratoff, PN Reznicek, P Richardson, JD Richter, RH Robinson, D Roe, S Ruggiero, G Runge, K Sadrozinski, HFW Sandaker, H Schieck, J Seiden, A Shinma, S Siegrist, J Sloan, T Smith, NA Snow, SW Solar, M Solberg, A Sopko, B Sospedra, L Spieler, H Stanecka, E Stapnes, S Stastny, J Stelzer, F Stradling, A Stugu, B Takashima, R Tanaka, R Taylor, G Terada, S Thompson, RJ Titov, M Tomeda, Y Tovey, DR Turala, M Turner, PR Tyndel, M Ullan, M Unno, Y Vickey, T Vos, M Wallny, R Weilhammer, P Wells, PS Wilson, JA Wolter, M Wormald, M Wu, SL Yamashita, T Zontar, D Zsenei, A AF Ahmad, A. Albrechtskirchinger, Z. Allport, P. P. Alonso, J. Andricek, L. Apsimon, R. J. Barr, A. J. Bates, R. L. Beck, G. A. Bell, P. J. Belymam, A. Benes, J. Berg, C. M. Bernabeu, J. Bethke, S. Bingefors, N. Bizzell, J. P. Bohm, J. Brenner, R. Brodbeck, T. J. De Renstrom, P. Bruckman Buttar, C. M. Campbell, D. Carpentieri, C. Carter, A. A. Carter, J. R. Charlton, D. G. Casse, G.-L. Chilingarov, A. Cindro, V. Ciocio, A. Civera, J. V. Clark, A. G. Colijn, A.-P. Costa, M. J. Dabrowski, W. Danielsen, K. M. Dawson, I. Demirkoz, B. Dervan, P. Dolezal, Z. Dorholt, O. Duerdoth, I. P. Dwuznik, M. Eckert, S. Ekeloef, T. Eklund, L. Escobar, C. Fasching, D. Feld, L. Ferguson, D. P. S. Ferrere, D. Fortin, R. Foster, J. M. Fox, H. French, R. Fromant, B. P. Fujita, K. Fuster, J. Gadomski, S. Gallop, B. J. Garcia, C. Garcia-Navarro, J. E. Gibson, M. D. Gonzalez, S. Gonzalez-Sevilla, S. Goodrick, M. J. Gornicki, E. Green, C. Greenall, A. Grigson, C. Grillo, A. A. Grosse-Knetter, J. Haber, C. Handa, T. Hara, K. Harper, R. S. Hartjes, F. G. Hashizaki, T. Hauff, D. Hessey, N. P. Hill, J. C. Holins, T. I. Holt, S. Horazdovsky, T. Hornung, M. Hovland, K. M. Hughes, G. Huse, T. Ikegami, Y. Iwata, Y. Jckson, J. N. Jakobs, K. Jared, R. C. Johansen, L. G. Jones, R. W. L. Jones, T. J. de Jong, P. Joseph, J. Jovanovic, P. Kaplon, J. Kato, Y. Ketterer, C. Kindervaag, I. M. Kodys, P. Koffeman, E. Kohriki, T. Kohout, Z. Kondo, T. Koperny, S. van der Kraaij, E. Kral, V. Kramberger, G. Kudlaty, J. Lacasta, C. Limper, M. Linhart, V. Llosa, G. Lozano, M. Ludwig, I. Ludwig, J. Lutz, G. Macpherson, A. McMahon, S. J. Macina, D. Magrath, C. A. Malecki, P. Mandic, I. Marti-Garcia, S. Matsuo, T. Meinhardt, J. Mellado, B. Mercer, I. J. Mikestikova, M. Mikuz, M. Minano, M. Mistry, J. Mitsou, V. ModeSto, P. Mohn, B. Molloy, S. D. Moorhead, G. Moraes, A. Morgan, D. Morone, M. C. Morris, J. Moser, H.-G. Moszczynski, A. Muijs, A. J. M. Nagai, K. Nakamura, Y. Nakano, I. Nicholson, R. Niinikoski, T. Nisius, R. Ohsugi, T. O'Shea, V. Oye, O. K. Parzefall, U. Pater, J. R. Pernegger, H. Phillips, P. W. Pospisil, S. Ratoff, P. N. Reznicek, P. Richardson, J. D. Richter, R. H. Robinson, D. Roe, S. Ruggiero, G. Runge, K. Sadrozinski, H. F. W. Sandaker, H. Schieck, J. Seiden, A. Shinma, S. Siegrist, J. Sloan, T. Smith, N. A. Snow, S. W. Solar, M. Solberg, A. Sopko, B. Sospedra, L. Spieler, H. Stanecka, E. Stapnes, S. Stastny, J. Stelzer, F. Stradling, A. Stugu, B. Takashima, R. Tanaka, R. Taylor, G. Terada, S. Thompson, R. J. Titov, M. Tomeda, Y. Tovey, D. R. Turala, M. Turner, P. R. Tyndel, M. Ullan, M. Unno, Y. Vickey, T. Vos, M. Wallny, R. Weilhammer, P. Wells, P. S. Wilson, J. A. Wolter, M. Wormald, M. Wu, S. L. Yamashita, T. Zontar, D. Zsenei, A. TI The silicon microstrip sensors of the ATLAS semiconductor tracker SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE ATLAS; SCT; silicon; microstrip; sensor; module; LHC ID P-IN-N; STRIP DETECTORS; BARREL MODULES; SCT; PERFORMANCE; READOUT; DESIGN; P(+)N AB This paper describes the AC-coupled, single-sided, p-in-n silicon microstrip sensors used in the Semiconductor Tracker (SCT) of the ATLAS experiment at the CERN Large Hadron Collider (LHC). The sensor requirements, specifications and designs are discussed, together with the qualification and quality assurance procedures adopted for their production. The measured sensor performance is presented, both initially and after irradiation to the fluence anticipated after 10 years of LHC operation. The sensors are now successfully assembled within the detecting modules of the SCT, and the SCT tracker is completed and integrated within the ATLAS Inner Detector. Hamamatsu Photonics Ltd. supplied 92.2% of the 15,392 installed sensors, with the remainder supplied by Cis. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England. CNM IMB CSIC, Ctr Nacl Nicroelect Barcelona, Barcelona, Spain. Univ Bergen, Dept Phys & Technol, N-5007 Bergen, Norway. Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. CERN, European Lab Particle Phys, CH-1211 Geneva, Switzerland. Inst Nucl Phys PAN, Krakow, Poland. AGH Univ Sci & Technol, Fac Phys & Appl Sci, Krakow, Poland. Univ Freiburg, Fak Phys, D-7800 Freiburg, Germany. Univ Geneva, DPNC, CH-1211 Geneva 4, Switzerland. Univ Glasgow, Dept Phys & Astron, Glasgow, Lanark, Scotland. Hiroshima Univ, Dept Phys, Higashi Ku, Hiroshima 7398526, Japan. Univ Ljubljana, Jozef Stefan Inst, Ljubljana, Slovenia. Univ Ljubljana, Dept Phys, Ljubljana 61000, Slovenia. High Accelerator Res Org, KEK, Tsukuba, Ibaraki 3050801, Japan. Kyoto Univ, Dept Educ, Kyoto 6120863, Japan. Univ Lancaster, Dept Phys & Astron, Lancaster, England. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. Univ Manchester, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. Univ Melbourne, Parkville, Vic 3052, Australia. Max Planck Inst Phys & Astrophys, Werner Heisenberg Inst, D-80805 Munich, Germany. NIKHEF, Amsterdam, Netherlands. Okayama Univ, Fac Sci, Okayama 700, Japan. Univ Oslo, Dept Phys, N-0316 Oslo, Norway. Univ Oxford, Dept Phys, Oxford OX1 3RH, England. Charles Univ Prague, Fac Math & Phys, Prague 18000, Czech Republic. Acad Sci Czech Republic, Inst Phys, Prague 18221, Czech Republic. Czech Tech Univ, Fac Mech Engn, CZ-16607 Prague 6, Czech Republic. Czech Tech Univ, Inst Expt & Appl Phys, CZ-12800 Prague 2, Czech Republic. Queen Mary Univ London, Dept Phys, London E1 4NS, England. Rutherford Appleton Lab, Didcot OX11 OQX, Oxon, England. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. Univ Sheffield, Dept Phys & Astron, Sheffield, S Yorkshire, England. Acad Sinica, Inst Phys, Taipei, Taiwan. Univ Tsukuba, Inst Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan. UCL, Dept Phys & Astron, London WC1E 6BT, England. Univ Valencia, CSIC, Inst Fis Corpuscular IFIC, Valencia, Spain. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. RP Carter, JR (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. EM jrcl@hep.pby.cam.ac.uk RI Bernabeu, Jose/H-6708-2015; Garcia, Jose /H-6339-2015; Ullan, Miguel/P-7392-2015; Lozano, Manuel/C-3445-2011; Demirkoz, Bilge/C-8179-2014; Jones, Roger/H-5578-2011; CARPENTIERI, CARMELA/E-2137-2015; Moorhead, Gareth/B-6634-2009; Mitsou, Vasiliki/D-1967-2009; Moraes, Arthur/F-6478-2010; Buttar, Craig/D-3706-2011; Marti-Garcia, Salvador/F-3085-2011; Eklund, Lars/C-7709-2012; Wolter, Marcin/A-7412-2012; Dawson, Ian/K-6090-2013; O'Shea, Val/G-1279-2010; Mikestikova, Marcela/H-1996-2014; Stastny, jan/H-2973-2014; Llosa, Gabriela/F-7791-2014 OI Bernabeu, Jose/0000-0002-0296-9988; Lozano, Manuel/0000-0001-5826-5544; Jones, Roger/0000-0002-6427-3513; Vos, Marcel/0000-0001-8474-5357; Lacasta, Carlos/0000-0002-2623-6252; CARPENTIERI, CARMELA/0000-0002-2994-0317; Moorhead, Gareth/0000-0002-9299-9549; Mitsou, Vasiliki/0000-0002-1533-8886; Moraes, Arthur/0000-0002-5157-5686; O'Shea, Val/0000-0001-7183-1205; Mikestikova, Marcela/0000-0003-1277-2596; Llosa, Gabriela/0000-0002-0364-8158 NR 34 TC 43 Z9 43 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 98 EP 118 DI 10.1016/j.nima.2007.04.157 PG 21 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500009 ER PT J AU Sako, T Adriani, O Bonechi, L Bongi, M Faus, A Haguenauer, M Itow, Y Kasahara, K Masuda, K Matsubara, Y Matsumoto, H Menjo, H Muraki, Y Obata, Y Tamura, T Tanaka, K Torii, S Turner, WC Velasco, J Yoshida, K AF Sako, T. Adriani, O. Bonechi, L. Bongi, M. Faus, A. Haguenauer, M. Itow, Y. Kasahara, K. Masuda, K. Matsubara, Y. Matsumoto, H. Menjo, H. Muraki, Y. Obata, Y. Tamura, T. Tanaka, K. Torii, S. Turner, W. C. Velasco, J. Yoshida, K. TI Performance of the prototype detector for the LHCf experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE LHC; high-energy cosmic-rays; sampling calorimeter ID SPECTRUM AB LHCf is a compact experiment for measuring the energy and transverse momentum spectra of the neutral particles emitted in the high rapidity range at an LHC interaction point. The data obtained by LHCf will set a crucial anchor point for calibration of the interaction models used in studies of high-energy cosmic-rays. In this paper, we report results of a beam test of an LHCf prototype detector that was carried out in July-August 2004 at the CERN SPS H4 beamline. We measured electromagnetic showers generated by 50-200 GeV electron primary beams and obtained 3-5% energy resolution as a function of the primary energy. The measured resolution is in good agreement with Monte Carlo simulations. The position resolution of SciFi hodoscope for measurement of the shower axis, 0.12-0.17 mm, was slightly worse than the MC expectation but adequate for the requirements of LHCf. This study gives a firm foundation for final design and fabrication of the LHCf detectors which will be installed in LHC in 2007 and operational in the early stages of LHC commissioning. (c) 2007 Elsevier B.V. All rights reserved. C1 Nagoya Univ, Solar Terrestrial Environm Lab, Nagoya, Aichi 4648601, Japan. Shibaura Inst Technol, Tokyo, Japan. Waseda Univ, RISE, Tokyo 1698050, Japan. Kanagawa Univ, Kanagawa, Japan. Ecole Polytech, Palaiseau, France. LBNL, Berkeley, CA USA. Univ Florence, Ist Nazl Fis Nucl, Florence, Italy. CSIC UVEG, Ctr Mixto, IFIC, Valencia, Spain. RP Sako, T (reprint author), Nagoya Univ, Solar Terrestrial Environm Lab, Nagoya, Aichi 4648601, Japan. EM sako@stelab.nagoya-u.ac.jp RI Bongi, Massimo/L-9417-2015 OI Bongi, Massimo/0000-0002-6050-1937 NR 15 TC 24 Z9 24 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 146 EP 159 DI 10.1016/j.nima.2007.05.267 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500012 ER PT J AU Jovanovic, I Shverdin, M Gibson, D Brown, C AF Jovanovic, I. Shverdin, M. Gibson, D. Brown, C. TI High-power laser pulse recirculation for inverse Compton scattering-produced gamma-rays SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE inverse compton scattering; laser recirculation; monoenergetic gamma-rays; linear collider ID PHOTON COLLIDER; X-RAYS; GENERATION; RADIATION; STORAGE; CAVITY; BEAMS; RING AB Inverse Compton scattering (ICS) of high-power laser pulses on relativistic electron bunches represents an attractive method for high-brightness, quasi-monoenergetic gamma-ray production. The efficiency of gamma-ray generation via ICS is severely constrained by the small Thomson scattering cross-section. Furthermore, repetition rates of high-energy short-pulse lasers are poorly matched with those available from electron accelerators, resulting in low repetition rates for generated gamma-rays. Laser recirculation has been proposed as a method to address those limitations, but has been limited to only small pulse energies and peak powers. Here we propose and experimentally demonstrate an alternative method for laser pulse recirculation that is uniquely capable of recirculating short pulses with energies exceeding 1 J. ICS of recirculated Joule-level laser pulses has a potential to produce unprecedented peak and average gamma-ray brightness in the next generation of sources. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jovanovic, I (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM jovanovicl@llnl.gov NR 27 TC 15 Z9 15 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 160 EP 171 DI 10.1016/j.nima.2007.04.168 PG 12 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500013 ER PT J AU Kotchenda, L Kravtsov, P Pisani, RP Tretiakov, G Trofimov, V AF Kotchenda, L. Kravtsov, P. Pisani, R. P. Tretiakov, G. Trofimov, V. TI PHENIX Muon Tracking Detector Gas System SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE gas; mixture; detector AB The Muon Tracking Detector Gas System was designed and fabricated to supply Ar + 30% CO2 + 20% CF4 mixture to the PHENIX [K. Adcox, S.S. Adler, M. Aizam, et al., Nucl. Instr. and Meth. A 499 (2003) 669.] [1]. Muon Tracking (MuTr) chambers located at the Relativistic Heavy Ion Collider (RHIC) at Brookhaven Nation Lab (BNL). The gas system purpose is to provide gas at the requested mixture at a constant controlled pressure and at various flow rates. The system can do this while monitoring the mixture's temperature, pressure, flow rate, and CO,, oxygen, and moisture content. A custom computer data acquisition system collects and logs the gas system operating parameters. This system can also be alarmed to provide automatic responses to undesired system conditions. Published by Elsevier B.V. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. EM pkravt@gmail.com NR 6 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 172 EP 179 DI 10.1016/j.nima.2007.05.119 PG 8 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500014 ER PT J AU Ave, M Bauleo, P Castellinac, A Chou, A Harton, JL Knapik, R Navarra, G AF Ave, M. Bauleo, P. Castellinac, A. Chou, A. Harton, J. L. Knapik, R. Navarra, G. CA Pierre Auger Collaboration TI The accuracy of signal measurement with the water Cherenkov detectors of the Pierre Auger Observatory SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE auger; extensive air shower; Cherenkov detector; cosmic ray AB The Auger Surface Detector consists of a large array of water Cherenkov detector tanks each with a volume of 12,000 1, for the detection of high energy cosmic rays. The accuracy in the measurement of the integrated signal amplitude of the detector unit has been studied using experimental air shower data. It can be described as a Poisson-like term with a normalization constant that depends on the zenith angle of the primary cosmic ray. This dependence reflects the increasing contribution to the signal of the muonic component of the shower, both due to the increasing muon/electromagnetic (e(+/-) and gamma) ratio and muon track length with zenith angle. (c) 2007 Elsevier B.V. All rights reserved. C1 Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Turin, Ist Fis Spazio Interplanetario, Ist Fis Gen, I-10125 Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Bauleo, P (reprint author), Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. EM bauleo@lamar.colostate.edu RI Chinellato, Jose Augusto/I-7972-2012; OI Chinellato, Jose Augusto/0000-0002-3240-6270; Castellina, Antonella/0000-0002-0045-2467 NR 9 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 180 EP 184 DI 10.1016/j.nima.2007.05.150 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500015 ER PT J AU Yeh, M Garnov, A Hahn, RL AF Yeh, M. Garnov, A. Hahn, R. L. TI Gadolinium-loaded liquid scintillator for high-precision measurements of antineutrino oscillations and the mixing angle, theta(13) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE theta-13; reactor antineutrinos; metal-doped liquid scintillator; gadolinium-loaded liquid scintillator; pseudocumene; linear alkyl benzene ID NEUTRINO OSCILLATIONS; REACTORS AB The use of multiple, identical liquid scintillator (LS) detectors at distances between 0.1 and 2 km from a nuclear reactor has the potential to detect antineutrino oscillations and to measure the value of the unknown neutrino-mixing angle theta(13). The nuclear reaction of interest in the LS is the inverse beta-decay reaction on protons, with the coincidence tag between the emitted prompt positron and the delayed neutron-capture providing a clear signature of the antineutrino capture. The neutron-capture signal is greatly enhanced by loading gadolinium into the LS, because of the large (n, gamma) cross-sections of the Gd isotopes (49,000 barns for natural abundance Gd), and the similar to 8 MeV of emitted gamma-rays. We have developed procedures at BNL to synthesize high-quality Gd-loaded LS (Gd-LS) in a simplified, consistent, and reproducible way, using the method of pH-controlled, solvent-solvent extraction. This Gd-LS has long attenuation length (> 15 m), high-light output (similar to 90% of pseudocumene), and long-term stability (> 1.5 years to date). The preparation and characteristics of this Gd-LS are discussed in this paper. Published by Elsevier B.V. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yeh, M (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM yeh@bnl.gov NR 15 TC 58 Z9 58 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2007 VL 578 IS 1 BP 329 EP 339 DI 10.1016/j.nima.2007.03.029 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 200TA UT WOS:000248784500034 ER PT J AU Pal, D O'Sullivan, JA Wu, HY Janecek, M Tai, YC AF Pal, Debashish O'Sullivan, Joseph A. Wu, Heyu Janecek, Martin Tai, Yuan-Chuan TI 2D linear and iterative reconstruction algorithms for a PET-insert scanner SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID POSITRON-EMISSION-TOMOGRAPHY; PENALIZED LIKELIHOOD ESTIMATION; EM ALGORITHM; IMAGE-RECONSTRUCTION; MAXIMUM-LIKELIHOOD; BAYESIAN RECONSTRUCTION; BODY PET; PERFORMANCE; CONVERGENCE; ATTENUATION AB We are developing novel insert devices for existing whole body PET scanners to achieve better resolution in selected regions of interest such as the head, neck, breast or abdomen. The insert considered here is a full ring of high resolution detectors, which can be placed around the object of interest. Adding the insert inside the scanner leads to three different types of coincidences: insert - insert, insert - scanner and scanner - scanner. The insert - insert and scanner - scanner coincidences are similar to the coincidences obtained in a traditional PET system. The insert - scanner coincidences have an inherent fan-beam geometry for which a spatially variant system matrix is proposed. The system matrix is computed using the intersection of a fan beam with a pixel. A filtered back-projection (FBP) algorithm for the insert - scanner geometry is presented. This FBP algorithm yields images with significantly reduced artifacts compared to FBP reconstructions on insert - scanner data rebinned into parallel beams. This is demonstrated using simulated point source data acquired using SimSET. It is proposed to use a penalized ML-EM (PML-EM) algorithm using a log-cosh roughness penalty function to reconstruct a single activity distribution from all three data sets. This is demonstrated qualitatively using simulated point source data. A quantitative comparison of PML-EM and FBP was performed on data acquired from insert - scanner coincidences using a phantom with hot and cold tumors imaged in an experimental setup. The quantitative studies demonstrate that the resolution/ noise tradeoff of PML-EM is improved relative to FBP. C1 Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. Washington Univ, Dept Elect & Syst Engn, St Louis, MO 63130 USA. Washington Univ, Mallinckrodt Inst Radiol, St Louis, MO 63112 USA. Lawrence Berkeley Lab, Dept Funct Imaging, Berkeley, CA 94709 USA. RP Pal, D (reprint author), Washington Univ, Dept Biomed Engn, St Louis, MO 63130 USA. EM dp1@cec.wustl.edu RI Janecek, Martin/D-2517-2009 FU NCI NIH HHS [R33 CA110011] NR 42 TC 16 Z9 17 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 21 PY 2007 VL 52 IS 14 BP 4293 EP 4310 DI 10.1088/0031-9155/52/14/018 PG 18 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 180XC UT WOS:000247400000018 PM 17664609 ER PT J AU Achterberg, A Ackermann, M Adams, J Ahrens, J Andeen, K Auffenberg, J Bahcall, JN Bai, X Baret, B Barwick, SW Bay, R Beattie, K Becka, T Becker, JK Becker, KH Berghaus, P Berley, D Bernardini, E Bertrand, D Besson, DZ Blaufuss, E Boersma, DJ Bohm, C Bolmont, J Boser, S Botner, O Bouchta, A Braun, J Burgess, C Burgess, T Castermans, T Chirkin, D Christy, B Clem, J Cowen, DF D'Agostino, MV Davour, A Day, CT De Clercq, C Demirors, L Descamps, F Desiati, P DeYoung, T Diaz-Velez, JC Dreyer, J Dumm, JP Duvoort, MR Edwards, WR Ehrlich, R Eisch, J Ellsworth, RW Evenson, PA Fadiran, O Fazely, AR Filimonov, K Foerster, MM Fox, BD Franckowiak, A Gaisser, TK Gallagher, J Ganugapati, R Geenen, H Gerhardt, L Goldschmidt, A Goodman, JA Gozzini, R Griesel, T Grullon, S Gross, A Gunasingha, RM Gurtner, M Hallgren, A Halzen, F Han, K Hanson, K Hardtke, D Hardtke, R Hart, JE Hasegawa, Y Hauschildt, T Hays, D Heise, J Helbing, K Hellwig, M Herquet, P Hill, GC Hodges, J Hoffman, KD Hommez, B Hoshina, K Hubert, D Hughey, B Hulth, PO Hultqvist, K Hulss, JP Hundertmark, S Inaba, M Ishihara, A Jacobsen, J Japaridze, GS Johansson, H Jones, A Joseph, JM Kampert, KH Karg, T Karle, A Kawai, H Kelley, JL Kitamura, N Klein, SR Klepser, S Kohnen, G Kolanoski, H Kopke, L Kowalski, M Kowarik, T Krasberg, M Kuehn, K Labare, M Landsman, H Leich, H Leier, D Liubarsky, I Lundberg, J Lunemann, J Madsen, J Mase, K Matis, HS McCauley, T McParland, CP Meli, A Messarius, T Meszaros, P Miyamoto, H Mokhtarani, A Montaruli, T Morey, A Morse, R Movit, SM Munich, K Nahnhauer, R Nam, JW Niessen, P Nygren, DR Ogelman, H Olivas, A Patton, S Pena-Garay, C de los Heros, CP Piegsa, A Pieloth, D Pohl, AC Porrata, R Pretz, J Price, PB Przybylski, GT Rawlins, K Razzaque, S Resconi, E Rhode, W Ribordy, M Rizzo, A Robbins, S Roth, P Rott, C Rutledge, D Ryckbosch, D Sander, HG Sarkar, S Schlenstedt, S Schmidt, T Schneider, D Seckel, D Semburg, B Seo, SH Seunarine, S Silvestri, A Smith, AJ Solarz, M Song, C Sopher, JE Spiczak, GM Spiering, C Stamatikos, M Stanev, T Steffen, P Stezelberger, T Stokstad, RG Stoufer, MC Stoyanov, S Strahler, EA Straszheim, T Sulanke, KH Sullivan, GW Sumner, TJ Taboada, I Tarasova, O Tepe, A Thollander, L Tilav, S Tluczykont, M Toale, PA Turcan, D van Eijndhoven, N Vandenbroucke, J Van Overloop, A Viscomi, V Voigt, B Wagner, W Walck, C Waldmann, H Walter, M Wang, YR Wendt, C Wiebusch, CH Wikstrom, G Williams, DR Wischnewski, R Wissing, H Woschnagg, K Xu, XW Yodh, G Yoshida, S Zornoza, JD AF Achterberg, A. Ackermann, M. Adams, J. Ahrens, J. Andeen, K. Auffenberg, J. Bahcall, J. N. Bai, X. Baret, B. Barwick, S. W. Bay, R. Beattie, K. Becka, T. Becker, J. K. Becker, K.-H. Berghaus, P. Berley, D. Bernardini, E. Bertrand, D. Besson, D. Z. Blaufuss, E. Boersma, D. J. Bohm, C. Bolmont, J. Boeser, S. Botner, O. Bouchta, A. Braun, J. Burgess, C. Burgess, T. Castermans, T. Chirkin, D. Christy, B. Clem, J. Cowen, D. F. D'Agostino, M. V. Davour, A. Day, C. T. De Clercq, C. Demirors, L. Descamps, F. Desiati, P. DeYoung, T. Diaz-Velez, J. C. Dreyer, J. Dumm, J. P. Duvoort, M. R. Edwards, W. R. Ehrlich, R. Eisch, J. Ellsworth, R. W. Evenson, P. A. Fadiran, O. Fazely, A. R. Filimonov, K. Foerster, M. M. Fox, B. D. Franckowiak, A. Gaisser, T. K. Gallagher, J. Ganugapati, R. Geenen, H. Gerhardt, L. Goldschmidt, A. Goodman, J. A. Gozzini, R. Griesel, T. Grullon, S. Gross, A. Gunasingha, R. M. Gurtner, M. Hallgren, A. Halzen, F. Han, K. Hanson, K. Hardtke, D. Hardtke, R. Hart, J. E. Hasegawa, Y. Hauschildt, T. Hays, D. Heise, J. Helbing, K. Hellwig, M. Herquet, P. Hill, G. C. Hodges, J. Hoffman, K. D. Hommez, B. Hoshina, K. Hubert, D. Hughey, B. Hulth, P. O. Hultqvist, K. Huelss, J.-P. Hundertmark, S. Inaba, M. Ishihara, A. Jacobsen, J. Japaridze, G. S. Johansson, H. Jones, A. Joseph, J. M. Kampert, K.-H. Karg, T. Karle, A. Kawai, H. Kelley, J. L. Kitamura, N. Klein, S. R. Klepser, S. Kohnen, G. Kolanoski, H. Koepke, L. Kowalski, M. Kowarik, T. Krasberg, M. Kuehn, K. Labare, M. Landsman, H. Leich, H. Leier, D. Liubarsky, I. Lundberg, J. Luenemann, J. Madsen, J. Mase, K. Matis, H. S. McCauley, T. McParland, C. P. Meli, A. Messarius, T. Meszaros, P. Miyamoto, H. Mokhtarani, A. Montaruli, T. Morey, A. Morse, R. Movit, S. M. Muenich, K. Nahnhauer, R. Nam, J. W. Niessen, P. Nygren, D. R. Oegelman, H. Olivas, A. Patton, S. Pena-Garay, C. de los Heros, C. Perez Piegsa, A. Pieloth, D. Pohl, A. C. Porrata, R. Pretz, J. Price, P. B. Przybylski, G. T. Rawlins, K. Razzaque, S. Resconi, E. Rhode, W. Ribordy, M. Rizzo, A. Robbins, S. Roth, P. Rott, C. Rutledge, D. Ryckbosch, D. Sander, H.-G. Sarkar, S. Schlenstedt, S. Schmidt, T. Schneider, D. Seckel, D. Semburg, B. Seo, S. H. Seunarine, S. Silvestri, A. Smith, A. J. Solarz, M. Song, C. Sopher, J. E. Spiczak, G. M. Spiering, C. Stamatikos, M. Stanev, T. Steffen, P. Stezelberger, T. Stokstad, R. G. Stoufer, M. C. Stoyanov, S. Strahler, E. A. Straszheim, T. Sulanke, K.-H. Sullivan, G. W. Sumner, T. J. Taboada, I. Tarasova, O. Tepe, A. Thollander, L. Tilav, S. Tluczykont, M. Toale, P. A. Turcan, D. van Eijndhoven, N. Vandenbroucke, J. Van Overloop, A. Viscomi, V. Voigt, B. Wagner, W. Walck, C. Waldmann, H. Walter, M. Wang, Y.-R. Wendt, C. Wiebusch, C. H. Wikstrom, G. Williams, D. R. Wischnewski, R. Wissing, H. Woschnagg, K. Xu, X. W. Yodh, G. Yoshida, S. Zornoza, J. D. TI Search for neutrino-induced cascades from gamma-ray bursts with Amanda SO ASTROPHYSICAL JOURNAL LA English DT Article DE gamma rays : bursts; neutrinos; telescopes ID HIGH-ENERGY NEUTRINOS; COSMIC-RAYS; OSCILLATIONS; DETECTORS; SELECTION; CATALOG AB Using the neutrino telescope AMANDA-II, we have conducted two analyses searching for neutrino-induced cascades fromgamma-ray bursts. No evidence of astrophysical neutrinos was found, and limits are presented for several models. We also present neutrino effective areas which allow the calculation of limits for any neutrino production model. The first analysis looked for a statistical excess of events within a sliding window of 1 or 100 s ( for short and long burst classes, respectively) during the years 2001-2003. The resulting upper limit on the diffuse flux normalization times E-2 for the Waxman-Bahcall model at 1 PeV is 1.6 x 10(-6) GeVcm(-2) s(-1) sr(-1) (a factor of 120 above the theoretical prediction). For this search 90% of the neutrinos would fall in the energy range 50 TeV to 7 PeV. The second analysis looked for neutrino-induced cascades in coincidence with 73 bursts detected by BATSE in the year 2000. The resulting upper limit on the diffuse flux normalization times E-2, also at 1 PeV is 1.5 x 10(-6) GeV cm(-2) s(-1) sr(-1) (a factor of 110 above the theoretical prediction) for the same energy range. The neutrino-induced cascade channel is complementary to the up-going muon channel. We comment on its advantages for searches of neutrinos from GRBs and its future use with IceCube. C1 Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. DESY, D-15735 Zeuthen, Germany. Univ Canterbury, Dept Phys & Astron, Christchurch 1, New Zealand. Univ Mainz, Inst Phys, D-55099 Mainz, Germany. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Univ Wuppertal, Dept Phys, D-42119 Wuppertal, Germany. Inst Adv Study, Princeton, NJ 08540 USA. Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. Univ Delaware, Bartol Res Inst, Newark, DE 19716 USA. Vrije Univ Brussels, Dienst ELEM, B-1050 Brussels, Belgium. Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Dortmund, Dept Phys, D-44221 Dortmund, Germany. Univ Libre Bruxelles, B-1050 Brussels, Belgium. Univ Maryland, Dept Phys, College Pk, MD 20742 USA. Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden. Uppsala Univ, Div High Energy Phys, S-75121 Uppsala, Sweden. Univ Mons, B-7000 Mons, Belgium. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. Univ Wisconsin, Dept Phys, River Falls, WI 54022 USA. Clark Atlanta Univ, Ctr Theoret Studies Phys Syst, Atlanta, GA 30314 USA. Southern Univ, Dept Phys, Baton Rouge, LA 70813 USA. Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. Max Planck Inst Kernphys, D-69177 Heidelberg, Germany. Chiba Univ, Dept Phys, Chiba 2638522, Japan. Univ Aachen, Rhein Westfal TH Aachen, Inst Phys 3, D-52056 Aachen, Germany. Humboldt Univ, Inst Phys, D-12489 Berlin, Germany. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. Kalmar Univ, Dept Chem & Biomed Sci, S-39182 Kalmar, Sweden. Univ Alaska, Dept Phys & Astron, Anchorage, AK 99508 USA. Univ Oxford, Dept Phys, Oxford OX1 3NP, England. Univ Valencia, CSIC, IFIC, Valencia 46071, Spain. RP Achterberg, A (reprint author), Univ Utrecht, Dept Phys & Astron, SRON, NL-3584 CC Utrecht, Netherlands. EM brennan.hughey@icecube.wisc.edu; itaboada@berkeley.edu RI Song, Chihwa/A-3455-2008; Hundertmark, Stephan/A-6592-2010; Wiebusch, Christopher/G-6490-2012; Kowalski, Marek/G-5546-2012; Botner, Olga/A-9110-2013; Hallgren, Allan/A-8963-2013; Tjus, Julia/G-8145-2012; Auffenberg, Jan/D-3954-2014; Zornoza, Juan de Dios/L-1604-2014; Sarkar, Subir/G-5978-2011 OI Hubert, Daan/0000-0002-4365-865X; Wiebusch, Christopher/0000-0002-6418-3008; Perez de los Heros, Carlos/0000-0002-2084-5866; Auffenberg, Jan/0000-0002-1185-9094; Zornoza, Juan de Dios/0000-0002-1834-0690; Sarkar, Subir/0000-0002-3542-858X NR 49 TC 32 Z9 32 U1 0 U2 5 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JUL 20 PY 2007 VL 664 IS 1 BP 397 EP 410 DI 10.1086/518596 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 189QA UT WOS:000248002400035 ER PT J AU Conley, A Carlberg, RG Guy, J Howell, DA Jha, S Riess, AG Sullivan, M AF Conley, A. Carlberg, R. G. Guy, J. Howell, D. A. Jha, S. Riess, A. G. Sullivan, M. TI Is there evidence for a Hubble bubble? The nature of Type Ia Supernova colors and dust in external galaxies SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; supernovae : general ID LIGHT AB We examine recent evidence from the luminosity-redshift relation of Type Ia Supernovae (SNe Ia) for the similar to 3 sigma detection of a "Hubble bubble" - a departure of the local value of the Hubble constant from its globally averaged value. By comparing the MLCS2k2 fits used in that study to the results from other light-curve fitters applied to the same data, we demonstrate that this is related to the interpretation of SN color excesses ( after correction for a lightcurve shape-color relation) and the presence of a color gradient across the local sample. If the slope of the linear relation (beta) between SN color excess and luminosity is fit empirically, then the bubble disappears. If, on the other hand, the color excess arises purely from Milky Way - like dust, then SN data clearly favor a Hubble bubble. We find that SN data give, instead of the one would expect from purely Milky Way - like dust. This beta similar or equal to 2, instead of the beta similar or equal to 4 suggests that either SN intrinsic colors are more complicated than can be described with a single light-curve shape parameter, or that dust around SN is unusual. Disentangling these possibilities is both a challenge and an opportunity for large-survey SN Ia cosmology. C1 Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. CNRS, LPNHE, IN2P3, F-75005 Paris, France. Univ Paris 06, F-75005 Paris, France. Univ Paris 07, F-75005 Paris, France. SLAC, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. RP Conley, A (reprint author), Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. RI Carlberg, Raymond/I-6947-2012; OI Carlberg, Raymond/0000-0002-7667-0081; Sullivan, Mark/0000-0001-9053-4820 NR 22 TC 102 Z9 103 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 2007 VL 664 IS 1 BP L13 EP L16 DI 10.1086/520625 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 189QD UT WOS:000248002700004 ER PT J AU Shang, YZ Liu, HL Hu, Y Prausnitz, JM AF Shang, Yazhuo Liu, Honglai Hu, Ying Prausnitz, John M. TI Effect of salts on the aqueous two-phase system in mixed solutions of Gemini (12-3-12,2Br(-)) and sodium dodecyl sulfate SO COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS LA English DT Article DE gemini surfactant; sodium dodecyl sulfate; aqueous two-phase system; salts ID CATIONIC/ANIONIC SURFACTANT SYSTEMS; PHASE-BEHAVIOR; CETYLTRIMETHYLAMMONIUM BROMIDE; ANIONIC SURFACTANTS; MIXTURES; MICROSTRUCTURE; VISCOSITY; MICELLES; VESICLES; TENSION AB Salts NaCl, KCl or NaBr shorten the phase-separation time of the ATPS (aqueous two-phase system) in mixed solutions of Gemini (12-3-12,2Br(-)) and sodium dodecyl sulfate (SDS). They also change the region of ATPS; it moves toward higher molar mixing ratios of Gemini to SDS and becomes wider. The minimum concentration of surfactant needed for the formation of ATPS is also lowered. Negative ions play the dominant role. Densities of the coexisting phases are strongly influenced by the total concentration of surfactants, the molar mixing ratio of Gemini to SDS, temperature and the type of salt. For some cases, phase inversion (the upper phase changes to lower and the bottom phase changes to upper) appears. Salts notably enhance extraction ability; the oil-like phase (looks like oil in appearance), a Gemini-rich solution, shows affinity for xylenol orange. Results obtained from negative-staining and transmission electron microscopies show that salts change the microstructures of the two phases. In the oil-like phase, the long rod-like micelles tend to congregate into big-rammed aggregates and form a coarse network structure that increases viscosity. The conjugate phase contains mixed multilamellar vesicles, micelles, loops and cylindrical micelles. (C) 2007 Elsevier B.V. All rights reserved. C1 E China Univ Sci & Technol, Dept Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem Engn, Berkeley, CA 94720 USA. RP Liu, HL (reprint author), E China Univ Sci & Technol, Dept Chem, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. EM hiliu@ecust.edu.cn NR 30 TC 18 Z9 21 U1 1 U2 18 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 20 PY 2007 VL 302 IS 1-3 BP 58 EP 66 DI 10.1016/j.colsurfa.2007.01-051 PG 9 WC Chemistry, Physical SC Chemistry GA 177ZZ UT WOS:000247192300009 ER PT J AU Tu, AW Luo, K AF Tu, Andrea W. Luo, Kunxin TI Acetylation of Smad2 by the co-activator p300 regulates activin and transforming growth factor ss response SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID TGF-BETA; DNA-BINDING; TARGETED DISRUPTION; SNON ONCOPROTEIN; MH1 DOMAIN; PROTEINS; TRANSCRIPTION; ACTIVATION; CBP; PHOSPHORYLATION AB Transforming growth factor beta (TGF beta) signals primarily through the Smad proteins to regulate cell growth, differentiation, and extracellular matrix production. Post-translational modifications, such as phosphorylation, play an important role in the regulation of the Smad proteins. TGF beta signaling results in the phosphorylation of Smad2 and Smad3 that then oligomerize with Smad4 and translocate into the nucleus to initiate transcription of TGF beta target genes. The initiation of transcription is significantly enhanced by the direct interaction of the Smad complex with p300/CBP (CREB-binding protein), a co-activator with intrinsic acetyltransferase activity. However, how p300/CBP enhances transcription through this interaction is not entirely understood. In this report, we show that Smad2, but not the highly homologous Smad3, can be acetylated by p300/CBP in a ligand-dependent manner. At least three lysine residues, Lys(19), Lys(20), and Lys(39), are required for efficient acetylation of Smad2, as mutations altering these lysines abolished Smad2 acetylation in vivo. This acetylation event is required for the ability of Smad2 to mediate activin and TGF beta signaling. Mutation of the three key lysine residues did not alter the stability of Smad2 or the ability of Smad2 to form a complex with Smad4 on promoter DNA, but it prevented nuclear accumulation of Smad2 and subsequent TGF beta and activin responses. Thus, our studies reveal a novel mechanism of modulating Smad2 activity and localization through protein acetylation. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Luo, K (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 16 Barker Hall,Mail Code 3204, Berkeley, CA 94720 USA. EM kluo@berkeley.edu FU NIDDK NIH HHS [DK067074] NR 49 TC 42 Z9 43 U1 1 U2 2 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 20 PY 2007 VL 282 IS 29 BP 21187 EP 21196 DI 10.1074/jbc.M700085200 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 190GP UT WOS:000248047500045 PM 17478422 ER PT J AU Gritti, F Cavazzini, A Marchetti, N Guiochon, G AF Gritti, Fabrice Cavazzini, Alberto Marchetti, Nicola Guiochon, Georges TI Comparison between the efficiencies of columns packed with fully and partially porous C-18-bonded silica materials SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE column performance; mass transfer mechanism; RPLC; HETP equation; Van Deemter; axial diffusion; Eddy dispersion; film mass transfer; transparticle mass transfer; Halo-C-18; polycyclic aromatic hydrocarbons; peptides; proteins ID PERFORMANCE LIQUID-CHROMATOGRAPHY; MASS-TRANSFER; STATIONARY PHASES; MECHANISM; MACROMOLECULES; MICROSPHERES; PACKINGS; COVERAGE; EQUATION AB The chromatographic performance of a new brand of shell particles is compared to that of a conventional brand of totally porous silica particles having a similar size. The new material (Halo, Advanced Materials Technology, Wilmington, DE) is made of 2.7 VLm particles that consist in a 1.7 mu m solid core covered with a 0.5 mu m thick shell of porous silica. The other material consists of the porous particles of a conventional 3 mu m commercial silica-B material. These two columns have the same dimensions, 150 turn x 4.6 mm. The reduced plate heights of two low molecular weight compounds, naphthalene and anthracene, two peptides (lys-bradykinin and bradykinin), and four proteins, insulin, lysozyme, P-lactoglobulin, and bovine serum albumin were measured in a wide flow rate range and analyzed on the basis of the Van Deemter equation and of modem models for its terms. The Halo column provides a smaller axial diffusion coefficient B and a smaller eddy dispersion term A than the other column, a result consistent with its lower internal porosity (is an element of(P) = 0. 19 versus 0.42) and with the narrower size distribution of its particles (sigma = 5% versus 13%). The two columns have similar C terms for the two low molecular weight compounds and for the two peptides. However, the C term of the proteins that are not excluded is markedly lower on the column packed with the Halo particles than on the other column. A recent theoretical analysis of the mass transfer kinetics in shell particles predicts a C tenn for moderately retained proteins (3 < k' < 5) that is about 35% lower for shell than for fully porous particles while the experimental data show a value nearly 45% lower, an excellent agreement considering that the internal tortuosity of the particles might be different, affecting the ratio of the effective diffusivities (D-eff) of the proteins in the two materials. Surprisingly, the Kozeny-Carman constant of the Halo packed column is 50% larger than that of the other column, in spite of which the permeability of the Halo column is slightly larger. due to its larger external porosity. (c) 2007 Published by Elsevier B.V. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Univ Ferrara, Dept Chem, I-44100 Ferrara, Italy. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@ion.chem.utk.edu RI Marchetti, Nicola/G-4933-2010; Cavazzini, Alberto/B-7051-2015; OI Cavazzini, Alberto/0000-0002-2510-0871; Marchetti, Nicola/0000-0001-5595-570X NR 26 TC 177 Z9 179 U1 4 U2 48 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 20 PY 2007 VL 1157 IS 1-2 BP 289 EP 303 DI 10.1016/j.chroma.2007.05.030 PG 15 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 191CK UT WOS:000248107200035 PM 17543317 ER PT J AU Iyoha, O Enick, R Killmeyer, R Howard, B Morreale, B Ciocco, M AF Iyoha, Osernwengie Enick, Robert Killmeyer, Richard Howard, Bret Morreale, Bryan Ciocco, Michael TI Wall-catalyzed water-gas shift reaction in multi-tubular Pd and 80 wt%Pd-20 wt%Cu membrane reactors at 1173 K SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE water-gas shift; palladium; palladium-copper; membrane reactor; equilibrium shift ID PALLADIUM MEMBRANE; HYDROGEN PERMEATION; ELEVATED-TEMPERATURES; ALLOY MEMBRANES; FUEL-CYCLE; DEHYDROGENATION; PERMEABILITY; PRESSURES; PERMEANCE; MIXTURES AB The high-temperature, water-gas shift reaction was conducted in 100wt%Pd and SO wt%Pd-20wt%Cu (Pd8owt%Cu) shell-and-tube membrane reactors at 1173 K with a 241 kPa (35 psig) trans-membrane pressure differential in the absence of heterogeneous catalyst particles. The tube bundle consisted of four parallel 15.25 cm long, 3.175 mm CD Pd-based tubes with a wall thickness of 125 mu m. The modest catalytic activity of the Pd-based membrane surface for the forward WGSR, the high rate of hydrogen extraction through the Pd-based membranes, and the long residence times (1-5 s) resulted in a dramatic shift in carbon monoxide conversions of 93% at 1173 K and a 1.5:1 steam-to-carbon monoxide feed ratio-a value well above the equilibrium value of similar to 54% associated with a conventional (non-membrane) reactor. Carbon monoxide conversions decreased from 93% to 66% and hydrogen recovery from 90% to 85% at a residence time of 5 s when the Pd was replaced with Pd(80w%)Cu, due to the lower permeance of the Pd(80wt%)Cu alloy. SEM-EDS analysis of the membrane tubes suggested that the water-gas shift environment caused pinhole formation in the retentate surfaces of the Pd and Pd(80wt%)Cu after approximately 8 days of operation. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Pittsburgh, Dept Chem & Petr Engn, US DOE NETL, Pittsburgh, PA 15261 USA. US DOE NETL, Pittsburgh, PA 15236 USA. US DOE NETL, Parsons, Pittsburgh, PA 15236 USA. RP Iyoha, O (reprint author), Univ Pittsburgh, Dept Chem & Petr Engn, US DOE NETL, Pittsburgh, PA 15261 USA. EM uyi_iyoha@praxair.com NR 46 TC 36 Z9 36 U1 2 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD JUL 20 PY 2007 VL 298 IS 1-2 BP 14 EP 23 DI 10.1016/j.memsci.2007.03.053 PG 10 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 185IF UT WOS:000247703900002 ER PT J AU Ilconich, J Myers, C Pennline, H Luebke, D AF Ilconich, Jeffery Myers, Christina Pennline, Henry Luebke, David TI Experimental investigation of the permeability and selectivity of supported ionic liquid membranes for CO2/He separation at temperatures up to 125 degrees C SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE carbon dioxide; ionic liquid; membranes; diffusivity; temperature dependence ID POLYMERIC MEMBRANES; FACILITATED TRANSPORT; GAS SEPARATIONS; CARBON-DIOXIDE; PHASE BEHAVIOR; DIFFUSIVITIES; PERMEATION; DIFFUSION; VISCOSITY; ALCOHOLS AB Supported liquid membranes have been prepared by impregnation of commercial porous polymer films with the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide. The ionic liquid has been characterized, and the membranes have been tested to determine performance in the selective separation of CO2 from He. Experiments were conducted in a constant pressure system, and pure gas permeability/selectivity data are reported. Membranes prepared with polysulfone supports have been found to be stable to 125 degrees C. The CO2 permeability of the membranes increases from 744 to 1200 barter as the temperature increases from 37 to 125 degrees C. The CO2/He selectivity decreased from 8.7 to 3.1 over the same temperature range. (c) 2007 Elsevier B.V. All rights reserved. C1 Natl Energy Technol Lab, South Pk, PA 15129 USA. RDS, Parsons, South Pk, PA 15129 USA. RP Luebke, D (reprint author), Natl Energy Technol Lab, POB 10940, South Pk, PA 15129 USA. EM david.luebke@netl.doe.gov NR 29 TC 103 Z9 111 U1 5 U2 41 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD JUL 20 PY 2007 VL 298 IS 1-2 BP 41 EP 47 DI 10.1016/j.memsci.2007.03.056 PG 7 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 185IF UT WOS:000247703900005 ER PT J AU Hensley, JE Way, JD Dec, SF Abney, KD AF Hensley, Jesse E. Way, J. Douglas Dec, Steven F. Abney, Kent D. TI The effects of thermal annealing on commercial Nafion((R)) membranes SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE annealing; precursor material; conductivity; permeability; PGSE NMR ID METHANOL FUEL-CELLS; ANGLE X-RAY; PERFLUOROSULFONATED IONOMER FILMS; TRANSPORT-PROPERTIES; WATER TRANSPORT; POLYMER ELECTROLYTES; ELECTROOSMOTIC DRAG; DIFFUSION; CONDUCTIVITY; PERFORMANCE AB The effect of thermal annealing as a pretreatment procedure for Nafion (R) membranes was investigated. Commercial membranes with different thicknesses and ages (all melt extruded films) were considered. After a short heat treatment at 165 degrees C, the proton conductivity, water permeability, equilibrium water sorption, and self-diffusion coefficient of water and protons increased in all films, with the greatest improvements occurring in thin films (< 50 mu m). Wide-angle X-ray measurements showed that the annealing procedure decreases the crystallinity of thick films and increases the crystallinity of thin films, in general. Small-angle X-ray measurements showed that annealing may alter the distribution of water within the films. Thermal annealing appears to 'normalize' the transport proper-ties of different thicknesses and batches of Nation (R), reducing the differences in values of measured transport properties between thin and thick membranes. (c) 2007 Elsevier B.V. All rights reserved. C1 Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Hensley, JE (reprint author), Colorado Sch Mines, Dept Chem Engn, 1613 Illinois St, Golden, CO 80401 USA. EM jessehensley@alumni.nd.edu; sdec@mines.edu NR 51 TC 51 Z9 51 U1 4 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD JUL 20 PY 2007 VL 298 IS 1-2 BP 190 EP 201 DI 10.1016/j.memsci.2007.04.019 PG 12 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 185IF UT WOS:000247703900021 ER PT J AU Andreev, VA Banks, TI Case, TA Chitwood, DB Clayton, SM Crowe, KM Deutsch, J Egger, J Freedman, SJ Ganzha, VA Gorringe, T Gray, FE Hertzog, DW Hildebrandt, M Kammel, P Kiburg, B Knaack, S Kravtsov, PA Krivshich, AG Lauss, B Lynch, KL Maev, EM Maev, OE Mulhauser, F Oezben, CS Petitjean, C Petrov, GE Prieels, R Schapkin, GN Semenchuk, GG Soroka, MA Tishchenko, V Vasilyev, AA Vorobyov, AA Vznuzdaev, ME Winter, P AF Andreev, V. A. Banks, T. I. Case, T. A. Chitwood, D. B. Clayton, S. M. Crowe, K. M. Deutsch, J. Egger, J. Freedman, S. J. Ganzha, V. A. Gorringe, T. Gray, F. E. Hertzog, D. W. Hildebrandt, M. Kammel, P. Kiburg, B. Knaack, S. Kravtsov, P. A. Krivshich, A. G. Lauss, B. Lynch, K. L. Maev, E. M. Maev, O. E. Mulhauser, F. Oezben, C. S. Petitjean, C. Petrov, G. E. Prieels, R. Schapkin, G. N. Semenchuk, G. G. Soroka, M. A. Tishchenko, V. Vasilyev, A. A. Vorobyov, A. A. Vznuzdaev, M. E. Winter, P. CA MuCap Collaboration TI Measurement of the muon capture rate in hydrogen gas and determination of the Proton's Pseudoscalar coupling g(P) SO PHYSICAL REVIEW LETTERS LA English DT Article ID CONSTANT; MOLECULE; NUCLEON AB The rate of nuclear muon capture by the proton has been measured using a new technique based on a time projection chamber operating in ultraclean, deuterium-depleted hydrogen gas, which is key to avoiding uncertainties from muonic molecule formation. The capture rate from the hyperfine singlet ground state of the mu p atom was obtained from the difference between the mu(-) disappearance rate in hydrogen and the world average for the mu(+) decay rate, yielding Lambda(S)=725.0 +/- 17.4 s(-1), from which the induced pseudoscalar coupling of the nucleon, g(P)(q(2)=-0.88m(mu)(2))=7.3 +/- 1.1, is extracted. C1 Petersburg Nucl Phys Inst, Gatchina 188350, Russia. Univ Calif Berkeley, Berkeley, CA 94720 USA. LBNL, Berkeley, CA 94720 USA. Univ Illinois, Urbana, IL 61801 USA. Univ Catholique Louvain, B-1348 Louvain, Belgium. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. Univ Kentucky, Lexington, KY 40506 USA. Boston Univ, Boston, MA 02215 USA. RP Kammel, P (reprint author), Petersburg Nucl Phys Inst, Gatchina 188350, Russia. OI Gray, Frederick/0000-0003-4073-8336 NR 22 TC 62 Z9 62 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 20 PY 2007 VL 99 IS 3 AR 032002 DI 10.1103/PhysRevLett.99.032002 PG 5 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700011 PM 17678281 ER PT J AU Chang, S Karen, P Hehlen, MP Trouw, FR McQueeney, RJ AF Chang, S. Karen, P. Hehlen, M. P. Trouw, F. R. McQueeney, R. J. TI Damping of antiferromagnetic spin waves by valence fluctuations in the double layer perovskite YBaFe2O5 SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; EXCHANGE; SERIES; CHARGE; OXIDES AB Inelastic neutron scattering experiments show that spin dynamics in the charge-ordered insulating ground state of the double layer perovskite YBaFe2O5 is well described in terms of e(g) superexchange interactions. Above the Verwey transition at T-V=308 K, t(2g) double exchange-type conduction proceeds within antiferromagnetic FeO2-BaO-FeO2 double layers by an electron hopping process that requires a spin flip of the five-coordinated Fe ions, costing an energy of 5 < J > S-2 approximate to 0.1 eV. The hopping process disrupts near-neighbor spin correlations, leading to massive damping of zone-boundary spin waves. C1 Ames Lab, Ames, IA 50011 USA. Univ Oslo, Dept Chem, N-0315 Oslo, Norway. Los Alamos Natl Lab, LANSCE, Los Alamos, NM 87545 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Chang, S (reprint author), Ames Lab, Ames, IA 50011 USA. EM schang@ameslab.gov RI Karen, Pavel/A-9062-2008; Lujan Center, LANL/G-4896-2012; McQueeney, Robert/A-2864-2016 OI Karen, Pavel/0000-0003-2937-6477; McQueeney, Robert/0000-0003-0718-5602 NR 17 TC 6 Z9 6 U1 1 U2 19 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 20 PY 2007 VL 99 IS 3 AR 037202 DI 10.1103/PhysRevLett.99.037202 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700051 PM 17678321 ER PT J AU Comstock, MJ Levy, N Kirakosian, A Cho, J Lauterwasser, F Harvey, JH Strubbe, DA Frechet, JMJ Trauner, D Louie, SG Crommie, MF AF Comstock, Matthew J. Levy, Niv Kirakosian, Armen Cho, Jongweon Lauterwasser, Frank Harvey, Jessica H. Strubbe, David A. Frechet, Jean M. J. Trauner, Dirk Louie, Steven G. Crommie, Michael F. TI Reversible photomechanical switching of individual engineered molecules at a metallic surface SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOTION; ISOMERIZATION; AZOBENZENE AB We have observed reversible light-induced mechanical switching for individual organic molecules bound to a metal surface. Scanning tunneling microscopy (STM) was used to image the features of individual azobenzene molecules on Au(111) before and after reversibly cycling their mechanical structure between trans and cis states using light. Azobenzene molecules were engineered to increase their surface photomechanical activity by attaching varying numbers of tert-butyl (TB) ligands ("legs") to the azobenzene phenyl rings. STM images show that increasing the number of TB legs "lifts" the azobenzene molecules from the substrate, thereby increasing molecular photomechanical activity by decreasing molecule-surface coupling. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Comstock, MJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Cho, Jongweon/F-3704-2011; OI Frechet, Jean /0000-0001-6419-0163 NR 23 TC 221 Z9 223 U1 11 U2 71 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 20 PY 2007 VL 99 IS 3 AR 038301 DI 10.1103/PhysRevLett.99.038301 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700065 PM 17678335 ER PT J AU Czarnecki, A Marciano, WJ Sirlin, A AF Czarnecki, Andrzej Marciano, William J. Sirlin, Alberto TI Electroweak radiative corrections to muon capture SO PHYSICAL REVIEW LETTERS LA English DT Article ID BETA-DECAY; HALF-LIFE; PROTON; HE-3; HYDROGEN; NUCLEON; TRITIUM; MODEL AB Electroweak radiative corrections to muon capture on nuclei are computed and found to be sizable. They enhance the capture rates for hydrogen and helium by 2.8% and 3.0%, respectively. As a result, the value of the induced pseudoscalar coupling, g(P)(exp), extracted from a recent hydrogen 1S singlet capture experiment is increased by about 21% to g(P)(exp)=7.3 +/- 1.2 and brought into good agreement with the prediction of chiral perturbation theory, g(P)(theory)=8.2 +/- 0.2. Implications for helium capture rate predictions are also discussed. C1 Univ Alberta, Dept Phys, Edmonton, AB T6G 2J1, Canada. Brookhaven Natl Lab, Upton, NY 11973 USA. NYU, Dept Phys, New York, NY 10003 USA. RP Czarnecki, A (reprint author), Univ Alberta, Dept Phys, Edmonton, AB T6G 2J1, Canada. NR 31 TC 42 Z9 42 U1 0 U2 0 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 20 PY 2007 VL 99 IS 3 AR 032003 DI 10.1103/PhysRevLett.99.032003 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700012 PM 17678282 ER PT J AU Luo, W Franceschetti, A Varela, M Tao, J Pennycook, SJ Pantelides, ST AF Luo, Weidong Franceschetti, Alberto Varela, Maria Tao, Jing Pennycook, Stephen J. Pantelides, Sokrates T. TI Orbital-occupancy versus charge ordering and the strength of electron correlations in electron-doped CaMnO3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID JAHN-TELLER DISTORTION; X-RAY-SCATTERING; MANGANITES; PHASE; INSULATORS AB The structural, electronic, and magnetic properties of mixed-valence compounds are believed to be governed by strong electron correlations. Here we report benchmark density-functional calculations in the spin-polarized generalized-gradient approximation (GGA) for the ground-state properties of doped CaMnO3. We find excellent agreement with all available data, while inclusion of strong correlations in the GGA+U scheme impairs this agreement. We demonstrate that formal oxidation states reflect only orbital occupancies, not charge transfer, and resolve outstanding controversies about charge ordering. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Luo, W (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. RI Varela, Maria/H-2648-2012; Varela, Maria/E-2472-2014; Luo, Weidong/A-8418-2009 OI Varela, Maria/0000-0002-6582-7004; Luo, Weidong/0000-0003-3829-1547 NR 35 TC 47 Z9 47 U1 4 U2 20 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 20 PY 2007 VL 99 IS 3 AR 036402 DI 10.1103/PhysRevLett.99.036402 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700030 PM 17678300 ER PT J AU Ovchinnikov, YN Barone, A Varlamov, AA AF Ovchinnikov, Yu. N. Barone, A. Varlamov, A. A. TI Macroscopic quantum tunneling in "Small" josephson junctions in a magnetic field SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERCONDUCTORS; DENSITY AB We study the phenomenon of macroscopic quantum tunneling (MQT) in small Josephson junctions (JJ) with an externally applied magnetic field. The latter results in the appearance of the Fraunhofer type modulation of the current density along the barrier. The problem of MQT for a pointlike JJ is reduced to the motion of the quantum particle in the washboard potential. In the case of a finite size JJ under consideration, this problem corresponds to a MQT in a potential which itself, besides the phase, depends on space variables. The general expression for the crossover temperature T-0 between thermally activated and macroscopic quantum tunneling regimes and the escaping time tau(esc) have been calculated. C1 Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. Russian Acad Sci, LD Landau Theoret Phys Inst, Chernogolovka 142432, Moscow District, Russia. Univ Naples Federico 2, Dipartimento Sci Fis, I-80125 Naples, Italy. CNR, Coherentia INFM, I-80125 Naples, Italy. CNR, Coherentia INFM, I-00133 Rome, Italy. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Ovchinnikov, YN (reprint author), Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany. NR 20 TC 7 Z9 7 U1 0 U2 4 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 20 PY 2007 VL 99 IS 3 AR 037004 DI 10.1103/PhyRevLett.99.037004 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700047 PM 17678317 ER PT J AU Pao, CW Foiles, SM Webb, EB Srolovitz, DJ Floro, JA AF Pao, Chun-Wei Foiles, Stephen M. Webb, Edmund B., III Srolovitz, David J. Floro, Jerrold A. TI Thin film compressive stresses due to adatom insertion into grain boundaries SO PHYSICAL REVIEW LETTERS LA English DT Article ID POINT-DEFECTS; DIFFUSION; COPPER; GROWTH; SILVER AB Atomic simulations of the growth of polycrystalline Ni demonstrate that deposited atoms incorporate into the film at boundaries, resulting in compressive stress generation. Incorporated atoms can also leave the boundaries and thus relieve compressive stress. This leads to a complex interplay between growth stress, adatom incorporation, and surface structure. A simple, theoretical model that accounts for grain size effects is proposed and is in good agreement with simulation results. C1 Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. Sandia Natl Labs, Albuquerque, NM 87159 USA. Yeshiva Univ, Dept Phys, New York, NY 10033 USA. Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. RP Pao, CW (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. RI Pao, Chun-Wei/D-3307-2009; OI Pao, Chun-Wei/0000-0003-0821-7856; Foiles, Stephen/0000-0002-1907-454X NR 20 TC 44 Z9 44 U1 2 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 20 PY 2007 VL 99 IS 3 AR 036102 DI 10.1103/PhysRevLett.99.036102 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700027 PM 17678297 ER PT J AU Somma, RD Batista, CD Ortiz, G AF Somma, R. D. Batista, C. D. Ortiz, G. TI Quantum approach to classical statistical mechanics SO PHYSICAL REVIEW LETTERS LA English DT Article ID ISING SPIN-GLASS AB We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t)approximate to(pN)/(k(B)logt) and gamma(t)approximate to(Nt)(-($) over barc ($) over bar /N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. RP Somma, RD (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM somma@lanl.gov RI Batista, Cristian/J-8008-2016 NR 26 TC 46 Z9 46 U1 2 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 20 PY 2007 VL 99 IS 3 AR 030603 DI 10.1103/PhysRevLett.99.030603 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700007 PM 17678277 ER PT J AU Wu, CQ Li, JX Lee, DH AF Wu, Chang-Qin Li, Jian-Xin Lee, Dung-Hai TI Switching and nonswitching phases of photomechanical molecules in dissipative environments SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHOTOISOMERIZATION; AZOBENZENE; 2-STATE; SYSTEM; MODEL AB We study the effects of dissipation on photoisomerization (PI). The result suggests the existence of two types of environment depending on whether it entangles with the molecule. With entanglement there is a quantum phase transition between a state where PI persists, to a state where PI is quenched by the environment. Without entanglement, the environment only quantitatively modifies the PI behavior. We discuss the relevance of our results to a recent STM experiment, and predict the signature of the quantum phase transition in optical absorption spectra. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China. Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Wu, CQ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Wu, Chang-Qin/D-3701-2011 NR 19 TC 3 Z9 3 U1 1 U2 5 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 20 PY 2007 VL 99 IS 3 AR 038302 DI 10.1103/PhysRevLett.99.038302 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700066 PM 17678336 ER PT J AU Zhu, Y Zheng, JC Wu, L Frenkel, AI Hanson, J Northrup, P Ku, W AF Zhu, Y. Zheng, J. C. Wu, L. Frenkel, A. I. Hanson, J. Northrup, P. Ku, W. TI Nanoscale disorder in CaCu3Ti4O12: A new route to the enhanced dielectric response SO PHYSICAL REVIEW LETTERS LA English DT Article ID X-RAY-ABSORPTION; ELECTRON-DIFFRACTION; PHASE-TRANSITION; CONSTANT; CU; PEROVSKITES; SALTS AB Significant nanoscale disorder of Cu and Ca atomic substitution is observed in CaCu3Ti4O12, based on our integrated study using quantitative electron diffraction and extended x-ray absorption fine structure. Unambiguous identification of this previously omitted disorder is made possible by the unique sensitivity of these probes to valence-electron distribution and short-range order. Furthermore, first-principles-based theoretical analysis indicates that the Ca-site Cu atoms possess partially filled degenerate e(g) states, suggesting significant boost of dielectric response from additional low-energy electronic contributions. Our study points to a new route of enhancing dielectric response in transitional metal oxides by exploiting the strong electronic correlation beyond classical static pictures. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Yeshiva Univ, New York, NY 10016 USA. RP Zhu, Y (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM zhu@bnl.gov RI Hanson, jonathan/E-3517-2010; Zheng, JC/G-3383-2010; Frenkel, Anatoly/D-3311-2011 OI Zheng, JC/0000-0002-6292-3236; Frenkel, Anatoly/0000-0002-5451-1207 NR 29 TC 93 Z9 94 U1 2 U2 38 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 20 PY 2007 VL 99 IS 3 AR 037602 DI 10.1103/PhysRevLett.99.037602 PG 4 WC Physics, Multidisciplinary SC Physics GA 192IN UT WOS:000248194700057 PM 17678327 ER PT J AU Robinson, RD Sadtler, B Demchenko, DO Erdonmez, CK Wang, LW Alivisatos, AP AF Robinson, Richard D. Sadtler, Bryce Demchenko, Denis O. Erdonmez, Can K. Wang, Lin-Wang Alivisatos, A. Paul TI Spontaneous superlattice formation in nanorods through partial cation exchange SO SCIENCE LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; SILVER CHALCOGENIDES; GROWTH; NANOWIRES; SULFIDE; CDS; NANOSTRUCTURES; CONVERSION; DIFFUSION; SURFACES AB Lattice-mismatch strains are widely known to control nanoscale pattern formation in heteroepitaxy, but such effects have not been exploited in colloidal nanocrystal growth. We demonstrate a colloidal route to synthesizing CdS-Ag2S nanorod superlattices through partial cation exchange. Strain induces the spontaneous formation of periodic structures. Ab initio calculations of the interfacial energy and modeling of strain energies show that these forces drive the self-organization of the superlattices. The nanorod superlattices exhibit high stability against ripening and phase mixing. These materials are tunable near-infrared emitters with potential applications as nanometer-scale optoelectronic devices. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM alivis@berkeley.edu RI Alivisatos , Paul /N-8863-2015 OI Alivisatos , Paul /0000-0001-6895-9048 NR 34 TC 429 Z9 437 U1 28 U2 294 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 20 PY 2007 VL 317 IS 5836 BP 355 EP 358 DI 10.1126/science.1142593 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 191RR UT WOS:000248150200042 PM 17641197 ER PT J AU Miller, DC Boyce, BL Dugger, MT Buchheit, TE Gall, K AF Miller, David C. Boyce, Brad L. Dugger, Michael T. Buchheit, Thomas E. Gall, Ken TI Characteristics of a commercially available silicon-on-insulator MEMS material SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE mechanical properties; fracture strength; reliability ID MULTILAYER THIN-FILMS; FRACTURE STRENGTH; MECHANICAL-PROPERTIES; YOUNGS MODULUS; THERMOMECHANICAL EVOLUTION; POLYSILICON FILMS; SPECIMEN SIZE; BEHAVIOR; MICROSTRUCTURES; TOUGHNESS AB Design of microelectromechanical systems (NMMS) requires an understanding of the material characteristics inherent to the specific processing technologies. In this study, several design-critical characteristics of a silicon-on-insulator (SOI) MEMS fabrication technology (SOIMUMPs) have been examined and compared to a surface micromachined MEMS fabrication technology (polyMUMPs), both produced by MEMSCAP, Inc. Diagnostic structures were utilized to evaluate material characteristics including: minimum achievable feature size, deviation of feature size from nominal design dimensions, through-thickness residual strain gradient, in-plane residual strain, resistivity, surface roughness, and fracture strength. In general, most of the measured characteristics were similar for SOIMUMPs and polyMUMPs, in spite of their very different fundamental process constraints. For example, the characteristic fracture strength was 1.97 and 1.43 GPa, with associated Weibull moduli of 8.9 and 14.0, respectively. These values are similar given the very different sources of silicon: mechanically thinned single crystal silicon wafers versus low-pressure chemical vapor deposition for polycrystalline films. Fractography suggests that fracture strength for the both technologies is controlled by surface topography features: individual sidewall etching defects drive SOIMUMPs failures whereas top-surface grain boundary crevices drive polyMUMPs failures. Discussion focuses on the ramifications of the process-controlled material characteristics in SOIMUMPS and polyMUMPs to the design of MEMS components. (c) 2007 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Microsyst Mat Grp, Albuquerque, NM 87123 USA. Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA. Georgia Inst Technol, George W Woodruff Sch Mech Engn, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. RP Boyce, BL (reprint author), Sandia Natl Labs, Microsyst Mat Grp, 1515 Eubank SE,Mail Stop 0889, Albuquerque, NM 87123 USA. EM blboyce@sandia.gov RI Boyce, Brad/H-5045-2012 OI Boyce, Brad/0000-0001-5994-1743 NR 65 TC 46 Z9 46 U1 0 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD JUL 20 PY 2007 VL 138 IS 1 BP 130 EP 144 DI 10.1016/j.sna.2007.04.023 PG 15 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 193TF UT WOS:000248296900018 ER PT J AU Spano, AJ Chen, FS Goodman, BE Sabat, AE Simon, MN Wall, JS Correia, JJ McIvor, W Newcomb, WW Brown, JC Schnur, JM Lebedev, N AF Spano, Anthony J. Chen, Frank S. Goodman, Benjamin E. Sabat, Agnes E. Simon, Martha N. Wall, Joseph S. Correia, John J. McIvor, Wilson Newcomb, William W. Brown, Jay C. Schnur, Joel M. Lebedev, Nikolal TI In vitro assembly of a prohead-like structure of the Rhodobacter capsulatus gene transfer agent SO VIROLOGY LA English DT Article DE Rhodobacter capsulatus; gene transfer agent; prohead-like; assembly in vitro ID COWPEA MOSAIC-VIRUS; RHODOPSEUDOMONAS-CAPSULATA; BACTERIOPHAGE HK97; GOLD NANOPARTICLES; BUILDING-BLOCKS; TRANSDUCTION; PROTEIN; BIOSYNTHESIS; PROKARYOTES; NANOSCALE AB The gene transfer agent (GTA) is a phage-like particle capable of exchanging double-stranded DNA fragments between cells of the photosynthetic bacterium Rhodobacter capsulatus. Here we show that the major capsid protein of GTA, expressed in E. coli, can be assembled into prohead-like structures in the presence of calcium ions in vitro. Transmission electron microscopy (TEM) of uranyl acetate staining material and thin sections of glutaraldehyde-fixed material demonstrates that these associates have spherical structures with diameters in the range of 27-3 5 nm. The analysis of scanning TEM images revealed particles of mass similar to 4.3 MDa, representing 101 +/- 11 copies of the monomeric subunit. The establishment of this simple and rapid method to form prohead-like particles permits the GTA system to be used for genome manipulation within the photosynthetic bacterium, for specific targeted drug delivery, and for the construction of biologically based distributed autonomous sensors for environmental monitoring. (C) 2007 Elsevier Inc. All rights reserved. C1 Univ Virginia, Dept Biol, Charlottesville, VA 22903 USA. Univ Virginia Hlth Syst, Dept Microbiol, Charlottesville, VA 22908 USA. Univ Virginia, Dept Biol, Charlottesville, VA 22904 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Mississippi, Med Ctr, Dept Biochem, Jackson, MS 39216 USA. Univ Virginia Hlth Syst, Ctr Canc, Charlottesville, VA 22908 USA. USN, Res Lab, Ctr BioMol Sci & Engn, Washington, DC 20375 USA. RP Spano, AJ (reprint author), Univ Virginia, Dept Biol, Gilmer Hall, Charlottesville, VA 22903 USA. EM ajs6z@virginia.edu FU NIBIB NIH HHS [5 P41 EB2181] NR 52 TC 4 Z9 4 U1 2 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0042-6822 J9 VIROLOGY JI Virology PD JUL 20 PY 2007 VL 364 IS 1 BP 95 EP 102 DI 10.1016/j.virol.2007.02.027 PG 8 WC Virology SC Virology GA 178CG UT WOS:000247198200011 PM 17408713 ER PT J AU Tartakovsky, DM Wohlberg, B Guadagnini, A AF Tartakovsky, Daniel M. Wohlberg, Brendt Guadagnini, Alberto TI Nearest-neighbor classification for facies delineation SO WATER RESOURCES RESEARCH LA English DT Article ID GEOLOGIC FACIES AB [1] Geostatistics has become the dominant tool for probabilistic estimation of properties of heterogeneous formations at points where data are not available. Ordinary kriging, the starting point in the development of other geostatistical techniques, has a number of serious limitations, chief among which is the intrinsic hypothesis of the (second-order) stationarity of the underlying random field. Attempts to overcome this limitation have led to the development of ever more complex flavors of kriging. We pursue an opposite strategy that consists of finding the simplest possible technique that is adequate for the task of facies delineation. Guided by the principle of parsimony, we identify nearest-neighbor classification (NNC) as a viable alternative to geostatistics among deterministic techniques. We demonstrate that when used for the purpose of facies delineation, NNC, which has no fitting parameters and operational assumptions, outperforms indicator kriging, which has several parameters. C1 Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Div Theoret, Grp T7, Los Alamos, NM 87545 USA. Politecn Milan, Dipartimento Ingn Idraul Ambientale Infrastruct V, I-20133 Milan, Italy. RP Tartakovsky, DM (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, 9500 Gilman Dr,Mail Code 0411, La Jolla, CA 92093 USA. EM dmt@ucsd.edu; brendt@t7.lanl.gov; alberto.guadagnini@polimi.it RI Tartakovsky, Daniel/E-7694-2013; Wohlberg, Brendt/M-7764-2015 OI Wohlberg, Brendt/0000-0002-4767-1843 NR 27 TC 10 Z9 10 U1 2 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD JUL 20 PY 2007 VL 43 IS 7 AR W07201 DI 10.1029/2007WR005968 PG 5 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 193RG UT WOS:000248291300002 ER PT J AU Roberts, JJ Kinney, JH Siebert, J Ryerson, FJ AF Roberts, J. J. Kinney, J. H. Siebert, J. Ryerson, F. J. TI Fe-Ni-S melt permeability in olivine: Implications for planetary core formation SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID ELECTRICAL-CONDUCTIVITY; FORMING MELTS; HIGH-PRESSURE; MANTLE; PERCOLATION; PLANETESIMALS; TRANSPORT; MOBILITY; SYSTEM; MEDIA AB [1] A controversial issue in models of planetary core formation concerns whether iron- sulfide melts in contact with silicate minerals at high temperature and pressure form permeable, percolating networks. We address this issue by determining interconnectivity and calculating the permeability of quenched olivine- iron- sulfide partial- melt samples synthesized at high temperature and pressure for a range of melt fractions and two melt compositions using 3D synchrotron radiation computed tomography and lattice- Boltzmann simulations. Permeability ranged from similar to 10(-19) m (2) at the lowest concentration of melt (similar to 1% by volume), to similar to 10(-13) m (2) at higher concentrations (similar to 13% by volume). Permeability as a function of melt fraction is described by a relation of the form k = alpha d (2)phi(n) with a scaling exponent n of 3.6. Our findings, considered a lower bound when compared to larger grained planetesimals, show percolation is a viable mechanism for the migration of FeS melt that may be applicable to models of planetary core formation. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Roberts, JJ (reprint author), Lawrence Livermore Natl Lab, L-201,POB 808, Livermore, CA 94550 USA. EM roberts17@llnl.gov RI siebert, julien/E-6998-2010; Siebert, Julien/A-8336-2014 OI Siebert, Julien/0000-0001-9972-6239 NR 33 TC 21 Z9 21 U1 1 U2 9 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 19 PY 2007 VL 34 IS 14 AR L14306 DI 10.1029/2007GL030497 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 193OX UT WOS:000248285000011 ER PT J AU Yang, HQ Xu, ZH Fan, MH Bland, AE Judkins, RR AF Yang, Hongqun Xu, Zhenghe Fan, Maohong Bland, Alan E. Judkins, Roddie R. TI Adsorbents for capturing mercury in coal-fired boiler flue gas SO JOURNAL OF HAZARDOUS MATERIALS LA English DT Review DE mercury; sorbent; adsorption; activated carbon; flue gas ID IMPREGNATED ACTIVATED CARBON; ELEMENTAL MERCURY; PHASE MERCURY; POWER-PLANTS; FLY-ASH; SORBENT INJECTION; FIXED-BED; REMOVAL; VAPOR; ADSORPTION AB This paper reviews recent advances in the research and development of sorbents used to capture mercury from coal-fired utility boiler flue gas. Mercury emissions are the source of serious health concerns. Worldwide mercury emissions from human activities are estimated to be 1000 to 6000 t/annum. Mercury emissions from coal-fired power plants are believed to be the largest source of anthropogenic mercury emissions. Mercury emissions from coal-fired utility boilers vary in total amount and speciation, depending on coal types, boiler operating conditions, and configurations of air pollution control devices (APCDs). The APCDs, such as fabric filter (FF) bag house, electrostatic precipitator (ESP), and wet flue gas desulfurization (FGD), can remove some particulate-bound and oxidized forms of mercury. Elemental mercury often escapes from these devices. Activated carbon injection upstream of a particulate control device has been shown to have the best potential to remove both elemental and oxidized mercury from the flue gas. For this paper, NORIT FGD activated carbon was extensively studied for its mercury adsorption behavior. Results from bench-, pilot- and field-scale studies, mercury adsorption by coal chars, and a case of lignite-burned mercury control were reviewed. Studies of brominated carbon, sulfur-impregnated carbon and chloride-impregnated carbon were also reviewed. Carbon substitutes, such as calcium sorbents, petroleum coke, zeolites and fly ash were analyzed for their mercury-adsorption performance. At this time, brominated activated carbon appears to be the best-performing mercury sorbent. A non-injection regenerable sorbent technology is briefly introduced herein, and the issue of mercury leachability is briefly covered. Future research directions are suggested. (C) 2007 Published by Elsevier B.V. C1 Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2G6, Canada. Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Western Res Inst, Laramie, WY 82072 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yang, HQ (reprint author), Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2G6, Canada. EM hongqun@ualberta.ca RI Xu, Zhenghe/D-6173-2011 NR 46 TC 138 Z9 172 U1 22 U2 159 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3894 J9 J HAZARD MATER JI J. Hazard. Mater. PD JUL 19 PY 2007 VL 146 IS 1-2 BP 1 EP 11 DI 10.1016/j.jhazmat.2007.04.113 PG 11 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 191VI UT WOS:000248159700001 PM 17544578 ER PT J AU Karunatilaka, C Subramanian, R Pedroza, D Idar, DJ Kukolich, SG AF Karunatilaka, Chandana Subramanian, Ranga Pedroza, Davian Idar, Deanne J. Kukolich, Stephen G. TI High-resolution infrared spectrum of the nu(1) band of eta(5)-C5H5NiNO SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID EFFECTIVE CORE POTENTIALS; ENERGY PHOTOELECTRON-SPECTROSCOPY; GAUSSIAN-BASIS SETS; CYCLOPENTADIENYLNICKEL NITROSYL; MOLECULAR CALCULATIONS; MICROWAVE SPECTRUM; NICKEL NITROSYL; ATOMS LI; DENSITY; COMPLEXES AB Gas-phase rotational constants and distortion constants have been determined for the nu(1) (upsilon = 1) excited vibrational state of cyclopentadienylnickel nitrosyl (C5H5NiNO) using a high-resolution Fourier transform spectrometer system at Kitt Peak, Arizona. The rotationally resolved lines have been measured for the C-H symmetric stretch vibration (nu(1) = 3110 cm(-1)). In the present analysis, over 150 lines have been assigned and fitted using a rigid-rotor Hamiltonian with centrifugal distortion. The vibrational band center, excited-state rotational constants, and distortion constants derived from the measured spectrum for this prolate symmetric-top molecule are nu(o) = 3110.4129(4) cm(-1), A' = 0.14328(8) cm(-1), B' = C' = 0.041285(1) cm(-1), D-J' = 0.078(1) kHz, D-Jk" = 2.23(4) kHz, and D-K" = -2.63(2) kHz, respectively. Several different combination differences, with a common upper state, were calculated for different K stacks for the observed spectra, and the consistency of the lower state rotational constants obtained provided further support for the current assignment. The ground-state rotational constant (B") derived from this combination differences analysis agrees with the previously obtained Fourier transform microwave value to within 0.15%. However, ground-state rotational constants, A" and B", have been fixed in the present analysis to avoid correlation effects and to get more accurate results. The new measured parameters are compared with the previously obtained results from Fourier transform microwave and infrared spectroscopy measurements. The C-H vibration stretching frequency and rotational constants were calculated using density functional theory calculations, and these were quite helpful in resolving ambiguities in the fitting procedure and for initial assignments of measured lines. C1 Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. Tulane Univ, Dept Chem, New Orleans, LA 70118 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kukolich, SG (reprint author), Univ Arizona, Dept Chem, 1306 E Univ Blvd, Tucson, AZ 85721 USA. EM kukolich@u.arizona.edu NR 39 TC 2 Z9 2 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 19 PY 2007 VL 111 IS 28 BP 6191 EP 6196 DI 10.1021/jp072040w PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 189CM UT WOS:000247966600012 PM 17585744 ER PT J AU Huang, JS Kertesz, M AF Huang, Jingsong Kertesz, Miklos TI Theoretical analysis of intermolecular covalent pi-pi bonding and magnetic properties of phenalenyl and spiro-biphenalenyl radical pi-dimers SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID ORGANIC-MOLECULAR-MATERIALS; DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; PHYSICAL-PROPERTIES; SIGMA-BOND; OPTICAL-TRANSITIONS; CORRELATION-ENERGY; TRANSFER INTEGRALS; CRYSTAL-STRUCTURE; CHARGE-TRANSPORT AB Singlet-triplet splittings Delta E-ST and intermolecular covalent pi-pi bonding characteristics of the prototypical phenalenyl pi-dimer and eight spiro-biphenalenyl radical pi-dimer structures are analyzed with the aid of restricted and unrestricted density functional theory calculations and paramagnetic susceptibility data fitted using the Bleaney-Bowers dimer model and the Curie-Weiss model. Single determinant approximations for Delta E-ST as a function of transfer integrals and on-site Coulomb repulsion energy are presented for the two-electron two-site pi-dimers of phenalenyls and the two-electron four-site pi-dimers of spiro-biphenalenyl radicals. Within the range of intermolecular separation of 3.12 < D < 3.51 angstrom, for the shorter separations, restricted theory works quite well and indicates the presence of a relatively strong intermolecular covalent pi-pi bonding interaction. For the longer separations, the singlet-triplet splittings are small; electron correlation plays a significant role, and only the unrestricted theory provides results that are in qualitative agreement with experiments. The bonding interactions in the pi-dimers are gradually weakened with increasing D, showing a transition from low D values with significant intermolecular pi-pi bonding and electron delocalization to high D values with localized spins and a biradicaloid character. C1 Georgetown Univ, Dept Chem, Washington, DC 20057 USA. RP Huang, JS (reprint author), Oak Ridge Natl Lab, Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM huangj3@ornl.gov; kertesz@georgetown.edu RI Huang, Jingsong/A-2789-2008; Kertesz, Miklos/E-7122-2010 OI Huang, Jingsong/0000-0001-8993-2506; Kertesz, Miklos/0000-0002-7930-3260 NR 93 TC 32 Z9 32 U1 0 U2 13 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 19 PY 2007 VL 111 IS 28 BP 6304 EP 6315 DI 10.1021/jp072086p PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 189CM UT WOS:000247966600027 PM 17591758 ER PT J AU Drummond, ML Meunier, V Sumpter, BG AF Drummond, Michael L. Meunier, Vincent Sumpter, Bobby G. TI Structure and stability of small boron and boron oxide clusters SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID GENERALIZED-GRADIENT APPROXIMATION; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AB-INITIO; MOLECULAR-DYNAMICS; PHOTOELECTRON-SPECTROSCOPY; PSEUDOPOTENTIAL CALCULATIONS; ELECTRONIC-STRUCTURES; B2O3 CRYSTALS AB To rationally design and explore a potential energy source based on the highly exothermic oxidation of boron, density functional theory (DFT) was used to characterize small boron clusters with 0-3 oxygen atoms and a total of up to ten atoms. The structures, vibrational frequencies, and stabilities were calculated for each of these clusters. A quantum molecular dynamics procedure was used to locate the global minimum for each species, which proved to be crucial given the unintuitive structure of many of the most stable isomers. Additionally, due to the plane-wave, periodic DFT code used in this study a straightforward comparison of these clusters to the bulk boron and B2O3 structures was possible despite the great structural and energetic differences between the two forms. Through evaluation of previous computational and experimental work, the relevant low-energy structures of all but one of the pure boron clusters can be assigned with great certainty. Nearly all of the boron oxide clusters are described here for the first time, but there are strong indications that the DFT procedure chosen is particularly well suited for the task. Insight into the trends in boron and boron oxide cluster stabilities, as well as the ultimate limits of growth for each, are also provided. The work reported herein provides crucial information towards understanding the oxidation of boron at a molecular level. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Drummond, ML (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM drummondml@gmail.com RI Meunier, Vincent/F-9391-2010; Sumpter, Bobby/C-9459-2013 OI Meunier, Vincent/0000-0002-7013-179X; Sumpter, Bobby/0000-0001-6341-0355 NR 71 TC 44 Z9 47 U1 2 U2 30 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 19 PY 2007 VL 111 IS 28 BP 6539 EP 6551 DI 10.1021/jp0726182 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 189CM UT WOS:000247966600053 PM 17583331 ER PT J AU Devanathan, R Venkatnathan, A Dupuis, M AF Devanathan, R. Venkatnathan, A. Dupuis, M. TI Atomistic simulation of nafion membrane: I. Effect of hydration on membrane nanostructure SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; PERFLUOROSULFONIC ACID MEMBRANES; PERFLUORINATED IONOMER; PROTON; WATER; TRANSPORT; SOLVATION; MODEL; SYSTEMS AB We used classical molecular dynamics simulation with the DREIDING force field to characterize the changes in the nanostructure of Nafion membrane brought about by systematically changing the hydration level. We calculated the relative percentages of free, weakly bound, and bound water in hydrated Nafion membranes. At low hydration levels, coordination of hydronium ions by multiple sulfonate groups prevents vehicular transport and impedes structural transport of protons through steric hindrance to hydration of the hydronium ions. Our results provide insights into the nanostructure of hydrated Nafion membrane and are in excellent agreement with experimental observations by neutron scattering of changes in the percentage of non diffusing hydrogen atoms. C1 Pacific NW Natl Lab, Fund Sci Directorate, Richland, WA 99352 USA. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Fund Sci Directorate, Richland, WA 99352 USA. EM ram.devanathan@pnl.gov RI Devanathan, Ram/C-7247-2008 OI Devanathan, Ram/0000-0001-8125-4237 NR 33 TC 135 Z9 136 U1 2 U2 33 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 19 PY 2007 VL 111 IS 28 BP 8069 EP 8079 DI 10.1021/jp0726992 PG 11 WC Chemistry, Physical SC Chemistry GA 189CK UT WOS:000247966300022 PM 17580862 ER PT J AU Jackson, MR Beahm, R Duvvuru, S Narasimhan, C Wu, J Wang, HN Philip, VM Hinde, RJ Howell, EE AF Jackson, Michael R. Beahm, Robert Duvvuru, Suman Narasimhan, Chandrasegara Wu, Jun Wang, Hsin-Neng Philip, Vivek M. Hinde, Robert J. Howell, Elizabeth E. TI A preference for edgewise interactions between aromatic rings and carboxylate anions: The biological relevance of anion-quadrupole interactions SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CATION-PI INTERACTIONS; ALPHA-HELICAL PEPTIDES; AB-INITIO; ENERGY DECOMPOSITION; HYDROGEN-BONDS; HEXAFLUOROBENZENE INTERACTION; MOLECULAR-INTERACTIONS; PROTEIN STRUCTURES; FORCE-FIELDS; BASIS-SETS AB Noncovalent interactions are quite important in biological structure-function relationships. To study the pairwise interaction of aromatic amino acids (phenylalanine, tyrosine, tryptophan) with anionic amino acids (aspartic and glutamic acids), small molecule mimics (benzene, phenol or indole interacting with formate) were used at the MP2 level of theory. The overall energy associated with an anion-quadrupole interaction is substantial (-9.5 kcal/mol for a benzene-formate planar dimer at van der Waals contact distance), indicating the electropositive ring edge of an aromatic group can interact with an anion. Deconvolution of the long-range coplanar interaction energy into fractional contributions from charge-quadrupole interactions, higher-order electrostatic interactions, and polarization terms was achieved. The charge-quadrupole term contributes between 30 to 45% of the total MP2 benzene-formate interaction; most of the rest of the interaction arises from polarization contributions. Additional studies of the Protein Data Bank (PDB Select) show that nearly planar aromatic-anionic amino acid pairs occur more often than expected from a random angular distribution, while axial aromatic-anionic pairs occur less often than expected; this demonstrates the biological relevance of the anion-quadrupole interaction. While water may mitigate the strength of these interactions, they may be numerous in a typical protein structure, so their cumulative effect could be substantial. C1 Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. Univ Tennessee, Oak Ridge Natl Lab, Genome Sci & Technol Program, Oak Ridge, TN 37830 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Howell, EE (reprint author), Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. EM lzh@utk.edu RI Wang, Hsin-Neng/D-9631-2013; OI Philip, Vivek/0000-0001-5126-707X; Hinde, Robert/0000-0003-3499-9222 NR 66 TC 36 Z9 36 U1 0 U2 14 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 19 PY 2007 VL 111 IS 28 BP 8242 EP 8249 DI 10.1021/jp0661995 PG 8 WC Chemistry, Physical SC Chemistry GA 189CK UT WOS:000247966300042 PM 17580852 ER PT J AU Abbyad, P Shi, XH Childs, W McAnaney, TB Cohen, BE Boxer, SG AF Abbyad, Paul Shi, Xinghua Childs, William McAnaney, Tim B. Cohen, Bruce E. Boxer, Steven G. TI Measurement of solvation responses at multiple sites in a globular protein SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID EXCITED-STATE; FEMTOSECOND RESOLUTION; DIELECTRIC-RELAXATION; NANOSECOND DYNAMICS; SPECTRAL PROPERTIES; BACKBONE DYNAMICS; FLUORESCENT-PROBE; BIOLOGICAL WATER; REACTION CENTERS; PROTON-TRANSFER AB Proteins respond to electrostatic perturbations through complex reorganizations of their charged and polar groups, as well as those of the surrounding media. These solvation responses occur both in the protein interior and on its surface, though the exact mechanisms of solvation are not well understood, in part because of limited data on the solvation responses for any given protein. Here, we characterize the solvation kinetics at sites throughout the sequence of a small globular protein, the B1 domain of streptococcal protein G (GB1), using the synthetic fluorescent amino acid Aladan. Aladan was incorporated into seven different GB1 sites, and the time-dependent Stokes shift was measured over the femtosecond to nanosecond time scales by fluorescence upconversion and time-correlated single photon counting. The seven sites range from buried within the protein core to fully solvent-exposed on the protein surface, and are located on different protein secondary structures including beta-sheets, helices, and loops. The dynamics in the protein sites were compared against the free fluorophore in buffer. All protein sites exhibited an initial, ultrafast Stokes shift on the subpicosecond time scale similar to that observed for the free fluorophore, but smaller in magnitude. As the probe is moved from the surface to more buried sites, the dynamics of the solvation response become slower, while no clear correlation between dynamics and secondary structure is observed. We suggest that restricted movements of the surrounding protein residues give rise to the observed long time dynamics and that such movements comprise a large portion of the protein's solvation response. The proper treatment of dynamic Stokes shift data when the time scale for solvation is comparable to the fluorescence lifetime is discussed. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Biol Nanostruct Facil, Mol Foundry, Berkeley, CA 94720 USA. RP Boxer, SG (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM SBoxer@Stanford.edu RI Shi, Xinghua/A-6651-2009 OI Shi, Xinghua/0000-0002-9968-6246 FU NIGMS NIH HHS [R37 GM027738, GM27738, R01 GM027738, R01 GM027738-25, R01 GM027738-26, R01 GM027738-27, R01 GM027738-28]; NIMH NIH HHS [MH65334, R01 MH065334, R37 MH065334] NR 59 TC 73 Z9 73 U1 1 U2 17 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 19 PY 2007 VL 111 IS 28 BP 8269 EP 8276 DI 10.1021/jp0709104 PG 8 WC Chemistry, Physical SC Chemistry GA 189CK UT WOS:000247966300045 PM 17592867 ER PT J AU Fernando, KAS Lin, Y Wang, W Cao, L Meziani, MJ Wang, X Veca, ML Zhang, PY Quinn, RA Allard, LF Sun, YP AF Shiral Fernando, K. A. Lin, Yi Wang, Wei Cao, Li Meziani, Mohammed J. Wang, Xin Veca, Monica L. Zhang, Puyu Quinn, Robert A. Allard, Lawrence F. Sun, Ya-Ping TI Diameter-selective fractionation of HiPco single-walled carbon nanotubes in repeated functionalization reactions SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RESONANCE RAMAN-SPECTROSCOPY; ELECTRONIC-STRUCTURE; SEPARATION; SOLUBILIZATION; DISPERSION AB The functionalization reaction of the diamine-terminated oligomeric poly(ethylene glycol) with a purified HiPco single-walled carbon nanotube sample was repeated multiple times to yield the corresponding number of soluble fractions and the final insoluble residue. According to results from the characterization with various instrumental techniques, these soluble fractions and the final residue all have different nanotube diameter distributions from that found in the starting sample. A general conclusion is that the functionalization and solubilization are selective toward smaller diameter nanotubes, regardless of their being semiconducting or metallic. Mechanistic implications, especially with respect to the post-production separation in terms of the nanotube metallicity, are discussed. C1 Clemson Univ, Dept Chem, Clemson, SC 29634 USA. Clemson Univ, Lab Emerging Mat & Technol, Clemson, SC 29634 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Fernando, KAS (reprint author), Clemson Univ, Dept Chem, Clemson, SC 29634 USA. RI Veca, Lucia/A-4622-2012 NR 32 TC 8 Z9 8 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 19 PY 2007 VL 111 IS 28 BP 10254 EP 10259 DI 10.1021/jp0723463 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 189CN UT WOS:000247966700023 ER PT J AU Chen, XY Ma, E Liu, GK AF Chen, Xueyuan Ma, En Liu, Guokui TI Energy levels and optical spectroscopy of Er3+ in Gd2O3 nanocrystals SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RARE-EARTH IONS; CRYSTAL-FIELD ANALYSIS; VISIBLE UP-CONVERSION; SINGLE-CRYSTALS; DOPED GD2O3; MULTIPHONON RELAXATION; VIBRONIC TRANSITIONS; SPECTRA; Y2O3; NANOPARTICLES AB Based on the high-resolution excitation and emission spectra at 10 and 297 K, we have determined 107 crystal-field (CF) levels below 43 000 cm(-1) of Er3+ at the C-2 site of Gd2O3 nanocrystals. The levels were analyzed in terms of 16 free-ion and 14 CF parameters. The CF modeling of the experimental energy levels yielded physically reasonable Hamiltonian parameters with a final root-mean-square deviation of 12.5 cm(-1). A modified Judd-Ofelt (JO) intensity analysis was proposed in evaluating the spectroscopic parameters such as JO parameters, radiative lifetime, and branching ratios for rare-earth ions doped in nanocrystals. Three JO parameters were obtained (Omega(2,4,6) = 4.96, 2.23, and 0.49, in units of 10(-20) cm(2)). The effect of J-mixing was taken into account in the energy-level-fitting and in the J-J' transition intensity calculation, which is observed to be responsible for the significant increase of the radiative transition rate of S-4(3/2). Furthermore, the luminescence lifetimes of several excited multiplets of Er3+ were measured, and vibronic side bands and self-absorption were observed in the 10 K emission spectrum. C1 Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, State Key Lab Struct Chem, Fujian 350002, Peoples R China. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Chen, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, State Key Lab Struct Chem, Fujian 350002, Peoples R China. EM xchen@fjirsm.ac.cn RI Chen, Xueyuan/C-5613-2012 OI Chen, Xueyuan/0000-0003-0493-839X NR 40 TC 56 Z9 58 U1 0 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 19 PY 2007 VL 111 IS 28 BP 10404 EP 10411 DI 10.1021/jp072980g PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 189CN UT WOS:000247966700045 ER PT J AU Mei, D Deskins, NA Dupuis, M Ge, Q AF Mei, Donghai Deskins, N. Aaron Dupuis, Michel Ge, Qingfeng TI Methanol adsorption on the clean CeO2(111) surface: A density functional theory study SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; LOW-INDEX SURFACES; CERIA SURFACES; ELECTRONIC-STRUCTURE; CEO2 SURFACES; OXYGEN VACANCIES; BASIS-SET; CATALYSTS; DECOMPOSITION AB Molecular and dissociative adsorption of methanol at various sites on the stoichiometric CeO2(111) surface have been studied using density functional theory periodic calculations. At 0.25 monolayer (ML) coverage, the dissociative adsorption with an adsorption energy of 0.55 eV is slightly favored. The most stable state is the dissociative adsorption of methanol via C-H bond breaking, forming a coadsorbed hydroxymethyl group and hydrogen adatom on two separate O-3C surface sites. The strongest molecular adsorption occurs through an O-Ce-7C connection with an adsorption energy of 0.48 eV. At methanol coverage of 0.5 ML, the dissociative adsorption and the molecular adsorption became competitive. The adsorption energy per methanol molecule for both adsorption modes falls into a narrow range of 0.46-0.55 eV. As methanol coverage increases beyond 0.5 ML, the molecular adsorption becomes more energetically favorable than the dissociative adsorption because of the attractive hydrogen bonding between coadsorbed methanol molecules. At full monolayer, the adsorption energy of molecular adsorption is 0.40 eV per molecule while the adsorption energy for total dissociative adsorption of methanol is only 0.17 eV. The results at different methanol coverages indicate that methanol can adsorb on a defect-free CeO2(111) surface, which are also consistent with experimental observations. C1 Pacific NW Natl Lab, Div Mat & Chem Sci, Richland, WA 99352 USA. So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA. RP Mei, D (reprint author), Pacific NW Natl Lab, Div Mat & Chem Sci, Richland, WA 99352 USA. EM donghai.mei@pnl.gov; qge@chem.siu.edu RI Mei, Donghai/A-2115-2012; Ge, Qingfeng/A-8498-2009; Mei, Donghai/D-3251-2011; Deskins, Nathaniel/H-3954-2012 OI Mei, Donghai/0000-0002-0286-4182; Ge, Qingfeng/0000-0001-6026-6693; NR 47 TC 38 Z9 38 U1 3 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 19 PY 2007 VL 111 IS 28 BP 10514 EP 10522 DI 10.1021/jp072181y PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 189CN UT WOS:000247966700060 ER PT J AU Huq, A Richardson, JW Maxey, ER Chandra, D Chien, WM AF Huq, Ashfia Richardson, James W. Maxey, Evan R. Chandra, Dhanesh Chien, Wen-Ming TI Structural studies of deuteration and dedeuteration of Li3N by use of in situ neutron diffraction SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID CRYSTAL-STRUCTURE; LITHIUM AMIDE; HYDROGEN STORAGE; LI2NH; TEMPERATURE; TRANSITION; IMIDE AB In situ neutron diffraction studies were carried out on the deuterium absorption and desorption of pure alpha-lithium nitride. When the sample was exposed to deuterium gas (D-2) at 150 degrees C, no absorption was observed for 12 h. Incomplete reaction between the nitride and D-2 at 200 degrees C with 4 wt % hydrogen uptake (based on 8% D-2 equivalent calculated from diffraction measurements) followed by a total of 7.2 wt % hydrogen uptake at 250 degrees C was observed. A change in the unit cell volume of lithium imide during absorption and desorption at 250 degrees C indicates a possible stoichiometry change during this process. At the end of the experiment, when the sample was cooled to room temperature, two cubic phases in the sample with slightly different lattice parameters were identified. We propose that these measurements indicate that the mechanism for absorption and desorption of deuterium by this system is dictated by defect formation in the cubic lithium imide lattice. C1 Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Univ Nevada, Reno, NV 89557 USA. RP Huq, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM huqa@ornl.gov RI Huq, Ashfia/J-8772-2013 OI Huq, Ashfia/0000-0002-8445-9649 NR 17 TC 9 Z9 9 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 19 PY 2007 VL 111 IS 28 BP 10712 EP 10717 DI 10.1021/jp070026d PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 189CN UT WOS:000247966700088 ER PT J AU Chen, WT Abe, K Abe, K Adachi, I Aihara, H Anipko, D Aulchenko, V Bakich, AM Barberio, E Bay, A Bedny, I Bitenc, U Bizjak, I Blyth, S Bondar, A Bozek, A Bracko, M Browder, TE Chang, MC Chang, P Chao, Y Chen, A Cheon, BG Chistov, R Choi, Y Choi, YK Dalseno, J Dash, M Drutskoy, A Eidelman, S Epifanov, D Go, A Ha, H Hazumi, M Heffernan, D Higuchi, T Hokuue, T Hoshi, Y Hou, WS Iijima, T Imoto, A Inami, K Ishikawa, A Itoh, R Iwasaki, M Kaji, H Kang, JH Kapusta, P Katayama, N Kawai, H Kawasaki, T Kichimi, H Kim, HO Kim, YJ Korpar, S Krizan, P Krokovny, P Kulasiri, R Kumar, R Kuo, CC Kuzmin, A Kwon, YJ Lee, SE Lesiak, T Lin, SW Liventsev, D Majumder, G Mandl, F Matsumoto, T Matyja, A McOnie, S Medvedeva, T Miyata, H Miyazaki, Y Mizuk, R Moloney, GR Mori, T Nakano, E Nakao, M Nakazawa, H Natkaniec, Z Nishida, S Nitoh, O Nozaki, T Ogawa, S Ohshima, T Okuno, S Olsen, SL Onuki, Y Ozaki, H Pakhlov, P Pakhlova, G Palka, H Park, CW Pestotnik, R Piilonen, LE Sahoo, H Sakai, Y Satoyama, N Schietinger, T Schneider, O Schumann, J Senyo, K Sevior, ME Shapkin, M Shibuya, H Shwartz, B Singh, JB Sokolov, A Somov, A Soni, N Stanic, S Staric, M Stoeck, H Suzuki, SY Takasaki, F Tamai, K Tanaka, M Taylor, GN Teramoto, Y Tian, XC Tikhomirov, I Tsukamoto, T Uehara, S Ueno, K Uglov, T Unno, Y Uno, S Usov, Y Varner, G Vervink, K Villa, S Wang, CC Wang, CH Wang, MZ Watanabe, Y Won, E Yabsley, BD Yamaguchi, A Yamashita, Y Yamauchi, M Zhang, CC Zhang, ZP Zhilich, V Zupanc, A AF Chen, W. T. Abe, K. Abe, K. Adachi, I. Aihara, H. Anipko, D. Aulchenko, V. Bakich, A. M. Barberio, E. Bay, A. Bedny, I. Bitenc, U. Bizjak, I. Blyth, S. Bondar, A. Bozek, A. Bracko, M. Browder, T. E. Chang, M.-C. Chang, P. Chao, Y. Chen, A. Cheon, B. G. Chistov, R. Choi, Y. Choi, Y. K. Dalseno, J. Dash, M. Drutskoy, A. Eidelman, S. Epifanov, D. Go, A. Ha, H. Hazumi, M. Heffernan, D. Higuchi, T. Hokuue, T. Hoshi, Y. Hou, W.-S. Iijima, T. Imoto, A. Inami, K. Ishikawa, A. Itoh, R. Iwasaki, M. Kaji, H. Kang, J. H. Kapusta, P. Katayama, N. Kawai, H. Kawasaki, T. Kichimi, H. Kim, H. O. Kim, Y. J. Korpar, S. Krizan, P. Krokovny, P. Kulasiri, R. Kumar, R. Kuo, C. C. Kuzmin, A. Kwon, Y.-J. Lee, S. E. Lesiak, T. Lin, S.-W. Liventsev, D. Majumder, G. Mandl, F. Matsumoto, T. Matyja, A. McOnie, S. Medvedeva, T. Miyata, H. Miyazaki, Y. Mizuk, R. Moloney, G. R. Mori, T. Nakano, E. Nakao, M. Nakazawa, H. Natkaniec, Z. Nishida, S. Nitoh, O. Nozaki, T. Ogawa, S. Ohshima, T. Okuno, S. Olsen, S. L. Onuki, Y. Ozaki, H. Pakhlov, P. Pakhlova, G. Palka, H. Park, C. W. Pestotnik, R. Piilonen, L. E. Sahoo, H. Sakai, Y. Satoyama, N. Schietinger, T. Schneider, O. Schuemann, J. Senyo, K. Sevior, M. E. Shapkin, M. Shibuya, H. Shwartz, B. Singh, J. B. Sokolov, A. Somov, A. Soni, N. Stanic, S. Staric, M. Stoeck, H. Suzuki, S. Y. Takasaki, F. Tamai, K. Tanaka, M. Taylor, G. N. Teramoto, Y. Tian, X. C. Tikhomirov, I. Tsukamoto, T. Uehara, S. Ueno, K. Uglov, T. Unno, Y. Uno, S. Usov, Y. Varner, G. Vervink, K. Villa, S. Wang, C. C. Wang, C. H. Wang, M.-Z. Watanabe, Y. Won, E. Yabsley, B. D. Yamaguchi, A. Yamashita, Y. Yamauchi, M. Zhang, C. C. Zhang, Z. P. Zhilich, V. Zupanc, A. TI A study of gamma gamma ->(KSKS0)-K-0 production at energies from 2.4 to 4.0 GeV at Belle - Belle collaboration SO PHYSICS LETTERS B LA English DT Article DE two-photon collisions; mesons; QCD; charmonium ID 2-PHOTON COLLISIONS; KK AB (KSKS0)-K-0 production in two-photon collisions has been studied using a 397.6 fb(-1) data sample collected with the Belle detector at the KEKB e(+)e(-) collider. For the first time the cross sections are measured in the two-photon center-of-mass energy range between 2.4 GeV and 4.0 GeV and angular range vertical bar cos theta*vertical bar < 0.6. Combining the results with measurements of gamma gamma -> K+K- from Belle, we observe that the cross section ratio sigma((KSKS0)-K-0)/sigma(K+K-) decreases from similar to 0.13 to similar to 0.01 with increasing energy. Signals for the chi(c0) and chi(c2) charmonium states are also observed. (C) 2007 Elsevier B.V. All rights reserved. C1 Natl Cent Univ, Chungli 32054, Taiwan. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Chiba Univ, Chiba, Japan. Hanyang Univ, Seoul 133791, South Korea. Univ Cincinnati, Cincinnati, OH USA. Fu Jen Catholic Univ, Dept Phys, Taipei, Taiwan. Grad Univ Adv Studies, Hayama, Japan. Univ Hawaii, Honolulu, HI 96822 USA. High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki, Japan. Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. Inst High Energy Phys, Protvino, Russia. Inst High Energy Phys, Vienna, Austria. Inst Theoret & Expt Phys, Moscow 117259, Russia. Jozef Stefan Inst, Ljubljana, Slovenia. Kanagawa Univ, Yokohama, Kanagawa, Japan. Korea Univ, Seoul 136701, South Korea. Ecole Polytech Fed Lausanne, Swiss Fed Inst Technol, CH-1015 Lausanne, Switzerland. Univ Ljubljana, Ljubljana, Slovenia. Univ Maribor, SLO-2000 Maribor, Slovenia. Univ Melbourne, Parkville, Vic 3052, Australia. Nagoya Univ, Nagoya, Aichi, Japan. Nara Womens Univ, Nara 630, Japan. Natl United Univ, Miaoli, Taiwan. Natl Taiwan Univ, Dept Phys, Taipei, Taiwan. H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. Nippon Dent Univ, Niigata, Japan. Niigata Univ, Niigata, Japan. Univ Nova Gorica, Nova Gorica, Slovenia. Osaka City Univ, Osaka 558, Japan. Osaka Univ, Osaka, Japan. Panjab Univ, Chandigarh 160014, India. Peking Univ, Beijing 100871, Peoples R China. RIKEN, BNL, Res Ctr, Brookhaven, NY USA. Univ Sci & Technol China, Hefei 230026, Peoples R China. Seoul Natl Univ, Seoul, South Korea. Shinshu Univ, Nagano, Japan. Sungkyunkwan Univ, Suwon, South Korea. Univ Sydney, Sydney, NSW 2006, Australia. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Toho Univ, Funabashi, Chiba 274, Japan. Tohoku Gakuin Univ, Tagajo, Miyagi, Japan. Tohoku Univ, Sendai, Miyagi 980, Japan. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Inst Technol, Tokyo 152, Japan. Tokyo Metropolitan Univ, Tokyo 158, Japan. Tokyo Univ Agr & Technol, Tokyo, Japan. Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. Yonsei Univ, Seoul 120749, South Korea. RP Chen, WT (reprint author), Natl Cent Univ, Chungli 32054, Taiwan. EM wtchen@hepsrv.phy.ncu.edu.tw RI Abe, Kazuo/F-6576-2010; Aihara, Hiroaki/F-3854-2010; Nitoh, Osamu/C-3522-2013; Tian, Xinchun/L-2060-2013; Pakhlov, Pavel/K-2158-2013; Uglov, Timofey/B-2406-2014; Mizuk, Roman/B-3751-2014; Krokovny, Pavel/G-4421-2016; Chistov, Ruslan/B-4893-2014; Drutskoy, Alexey/C-8833-2016; Pakhlova, Galina/C-5378-2014 OI Aihara, Hiroaki/0000-0002-1907-5964; Tian, Xinchun/0000-0002-6246-0470; Pakhlov, Pavel/0000-0001-7426-4824; Uglov, Timofey/0000-0002-4944-1830; Krokovny, Pavel/0000-0002-1236-4667; Chistov, Ruslan/0000-0003-1439-8390; Drutskoy, Alexey/0000-0003-4524-0422; Pakhlova, Galina/0000-0001-7518-3022 NR 17 TC 22 Z9 22 U1 4 U2 13 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 19 PY 2007 VL 651 IS 1 BP 15 EP 21 DI 10.1016/j.physletb.2007.05.059 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 195OW UT WOS:000248422500003 ER PT J AU Lavraud, B Borovsky, JE Ridley, AJ Pogue, EW Thomsen, MF Reme, H Fazakerley, AN Lucek, EA AF Lavraud, B. Borovsky, J. E. Ridley, A. J. Pogue, E. W. Thomsen, M. F. Reme, H. Fazakerley, A. N. Lucek, E. A. TI Strong bulk plasma acceleration in Earth's magnetosheath: A magnetic slingshot effect? SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID SOLAR-WIND; DAYSIDE MAGNETOPAUSE; FLOW; MAGNETOSPHERE; FIELD; ELECTRON; RECONNECTION; CONVECTION; BOUNDARY; EVENTS AB In the near- Earth environment, strong bulk plasma accelerations are frequently taken to be the diagnostic of the occurrence of magnetic reconnection. In this letter, we report new and unambiguous spacecraft observations and corresponding magnetohydrodynamic (MHD) simulation of strong bulk plasma acceleration in the terrestrial magnetosheath during low Alfve n Mach number solar wind conditions, which is demonstrably not associated with magnetic reconnection. We illustrate this effect with Cluster spacecraft data that show plasma accelerations up to speeds of 1040 km/s, while the ambient solar wind speed is only 650 km/ s ( i. e., in excess by 60%). Based on a comparison with global MHD simulations of the magnetosphere, we show that the acceleration results from enhanced magnetic forces exerted on the plasma by '' stiff '' magnetic flux tubes in a low-beta magnetosheath that result from the low Alfven Mach number solar wind. The MHD simulations demonstrate that the acceleration is asymmetric, as well as the magnetopause shape, and is the result of both magnetic pressure gradient and tension forces, showing that this effect is not a simple analogy to a '' slingshot effect '' for which magnetic tension would dominate. Like magnetic reconnection, this mechanism is capable of producing strong plasma acceleration in the near- Earth's environment. The low Alfven Mach number solar wind condition leading to this mechanism is often characteristic of coronal mass ejections (CMEs). C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Michigan, Ctr Space Environm Modeling, Ann Arbor, MI 48109 USA. Ctr Etud Spatiale Rayonnements, F-31000 Toulouse, France. UCL, Mullard Space Sci Lab, Dorking RH5 6NT, Surrey, England. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BW, England. RP Lavraud, B (reprint author), Los Alamos Natl Lab, POB 1663,MS D466, Los Alamos, NM 87545 USA. EM lavraud@lanl.gov RI Ridley, Aaron/F-3943-2011 OI Ridley, Aaron/0000-0001-6933-8534 NR 26 TC 28 Z9 28 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 18 PY 2007 VL 34 IS 14 AR L14102 DI 10.1029/2007GL030024 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 193OW UT WOS:000248284900003 ER PT J AU Cao, HS Xiong, YJ Wang, T Chen, BW Squier, TC Mayer, MU AF Cao, Haishi Xiong, Yijia Wang, Ting Chen, Baowei Squier, Thomas C. Mayer, M. Uljana TI A red Cy3-based biarsenical fluorescent probe targeted to a complementary binding peptide SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ASSISTED LIGHT INACTIVATION; CALMODULIN; AFFINITY; COMPLEX AB We have synthesized a red biarsenical fluorescent probe, AsCy3, with good photostability, low pH sensitivity, high absorbance, and good quantum yield. It is directed specifically to a small tetracysteine peptide binding motif, Cy3TAG (CysCysLysAlaGluAlaAlaCysCys), in the presence of other tetracysteine tags. This new probe provides a FRET partner to biarsenical dye FlAsH, making this discovery an important step toward a whole toolkit of colored probes directed to different small peptide motifs. C1 Pacific NW Natl Lab, Cell Biol & Biochem Grp, Richland, WA 99352 USA. RP Mayer, MU (reprint author), Pacific NW Natl Lab, Cell Biol & Biochem Grp, Richland, WA 99352 USA. EM uljana.mayer@pnl.gov RI Xiong, Yijia/C-1341-2011 NR 18 TC 59 Z9 59 U1 1 U2 23 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 18 PY 2007 VL 129 IS 28 BP 8672 EP + DI 10.1021/ja070003c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 189CJ UT WOS:000247966200001 PM 17585763 ER PT J AU Wang, P Hadjar, O Laskin, J AF Wang, Peng Hadjar, Omar Laskin, Julia TI Covalent immobilization of peptides on self-assembled monolayer surfaces using soft-landing of mass-selected ions SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; SECONDARY-ION; PREPARATIVE SOFT; CELL-ADHESION; SPECTROMETRY; METALS; ARRAYS AB Controlled immobilization of peptides onto N-hydroxysuccinimidyl ester functionalized self-assembled monolayer (SAM) surfaces using reactive landing of mass-selected ions has been demonstrated. Surface characterization using time-of-flight secondary ion mass spectrometry and grazing-incidence infrared reflection-absorption spectroscopy confirmed highly efficient covalent linkage through an amide bond formed between the SAM and the free amino group of the lysine side chain. Reactive landing opens a new way for controlled preparation of peptide arrays. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Laskin, J (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. EM julia.laskin@pnl.gov RI Laskin, Julia/H-9974-2012 OI Laskin, Julia/0000-0002-4533-9644 NR 20 TC 43 Z9 43 U1 1 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 18 PY 2007 VL 129 IS 28 BP 8682 EP + DI 10.1021/ja071804i PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 189CJ UT WOS:000247966200006 PM 17589994 ER PT J AU Slowing, II Trewyn, BG Lin, VSY AF Slowing, Igor I. Trewyn, Brian G. Lin, Victor S. -Y. TI Mesoporous silica nanoparticles for intracellular delivery of membrane-impermeable proteins SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID RESPONSIVE CONTROLLED-RELEASE; CYTOCHROME-C; SUPRAMOLECULAR NANOVALVE; CARBON NANOTUBES; MOLECULAR-SIEVE; GUEST MOLECULES; DRUG-DELIVERY; PORE-SIZE; PH; ADSORPTION AB An MCM-41-type mesoporous silica nanoparticle (MSN) material with a large average pore diameter (5.4 nm) is synthesized and characterized. The in vitro uptake and release profiles of cytochrome c by the MSN were investigated. The enzymatic activity of the released protein was quantitatively analyzed and compared with that of the native cytochrome c in physiological buffer solutions. We found that the enzymes released from the MSNs are still functional and highly active in catalyzing the oxidation of 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonate) (ABTS) by hydrogen peroxide. In contrast to the fact that cytochrome c is a cell-membrane-impermeable protein, we discovered that the cytochrome c-encapsulated MSNs could be internalized by live human cervical cancer cells (HeLa) and the protein could be released into the cytoplasm. We envision that these MSNs with large pores could serve as a transmembrane delivery vehicle for controlled release of membrane-impermeable proteins in live cells, which may lead to many important biotechnological applications including therapeutics and metabolic manipulation of cells. C1 US DOE, Ames Lab, Dept Chem, Ames, IA 50011 USA. RP Lin, VSY (reprint author), US DOE, Ames Lab, Dept Chem, Ames, IA 50011 USA. EM vsylin@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 NR 40 TC 483 Z9 487 U1 28 U2 264 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 18 PY 2007 VL 129 IS 28 BP 8845 EP 8849 DI 10.1021/ja0719780 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA 189CJ UT WOS:000247966200039 PM 17589996 ER PT J AU Agenet, N Gandon, V Vollhardt, KPC Malacria, M Aubert, C AF Agenet, Nicolas Gandon, Vincent Vollhardt, K. Peter C. Malacria, Max Aubert, Corinne TI Cobalt-catalyzed cyclotrimerization of alkynes: The answer to the puzzle of parallel reaction pathways SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID 2+2+2 CYCLOADDITION REACTIONS; TRANSITION-METAL-COMPLEXES; MOLECULAR-ORBITAL METHODS; GAUSSIAN-TYPE BASIS; C-H BOND; SPIN-STATE; ORGANOMETALLIC CHEMISTRY; ORGANIC-MOLECULES; GAS-PHASE; COBALTACYCLOPENTADIENE AB To understand some experimental data at odds with the computed mechanism of the CpCo(L-2)-catalyzed [2 + 2 + 2] cyclotrimerization of ethyne, DFT computations were carried out following the fate of methyl- and hydroxycarbonyl-substituted alkynes to give the corresponding arenes. The key intermediate in all cases is a triplet cobaltacyclopentadiene obtained by oxidative coupling of the corresponding CpCo(bisalkyne) complex and subsequent spin change via a minimum energy crossing point (MECP). From that species, two different catalytic cycles lead to an arene product, depending on the nature of the alkyne and other ligands present: either alkyne ligation to furnish a cobaltacyclopentadiene(alkyne) intermediate or trapping by a sigma-donor ligand to generate a coordinatively saturated cobaltacyclopentadiene(PR3) complex. The former leads to the CpCo-complexed arene product via intramolecular cobalt-assisted [4 + 2] cycloaddition, whereas the latter may, in the case of a reactive dienophile (butynedioic acid), undergo direct intermolecular [4 + 2] cycloaddition to generate a cobaltanorbornene. The bridgehead cobalt atom is then reductively eliminated after another change in spin state from singlet to triplet. The necessary conditions for one or the other mechanistic pathway are elaborated. C1 Univ Paris 06, CNRS, Inst Chim Mol, UMR 7611,Lab Chim Organ,FR 2769, F-75252 Paris 05, France. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Gandon, V (reprint author), Univ Paris 06, CNRS, Inst Chim Mol, UMR 7611,Lab Chim Organ,FR 2769, Case 229,4 l Jussieu, F-75252 Paris 05, France. EM gandon@ccr.jussieu.fr RI Gandon, Vincent/C-1942-2014 OI Gandon, Vincent/0000-0003-1108-9410 NR 54 TC 105 Z9 105 U1 2 U2 38 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 18 PY 2007 VL 129 IS 28 BP 8860 EP 8871 DI 10.1021/ja072208r PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 189CJ UT WOS:000247966200041 PM 17585766 ER PT J AU Moses, AW Raab, C Nelson, RC Leifeste, HD Ramsahye, NA Chattopadhyay, S Eckert, J Chmelka, BF Scott, SL AF Moses, Anthony W. Raab, Christina Nelson, Ryan C. Leifeste, Heather D. Ramsahye, Naseem A. Chattopadhyay, Swarup Eckert, Juergen Chmelka, Bradley F. Scott, Susannah L. TI Spectroscopically distinct sites present in methyltrioxorhenium grafted onto silica-alumina, and their abilities to initiate olefin metathesis SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MAIN-GROUP ELEMENTS; NUCLEAR-MAGNETIC-RESONANCE; NMR CHEMICAL-SHIFTS; LEWIS-ACID SITES; TRANSITION-METALS; MULTIPLE BONDS; WATER-MOLECULES; ZEOLITE-Y; C-13 NMR; CATALYST AB Deposition of CH3ReO3 onto the surface of dehydrated, amorphous silica-alumina generates a highly active, supported catalyst for the metathesis of olefins. However, silica-alumina with a high (10 wt %) Re loading is no more active than silica-alumina with low (1 wt %) loading, while CH3ReO3 on silica is completely inactive. Catalysts prepared by grafting CH3ReO3 on silica-alumina contain two types of spectroscopically distinct sites. The more strongly bound sites are responsible for olefin metathesis activity and are formed preferentially at low Re loadings (<= 1 wt %). They are created by two Lewis acid/base interactions: (1) the coordination of an oxo ligand to an Al center of the support and (2) interaction of one of the adjacent bridging oxygens (AlOSi) with the Re center. At higher Re loadings (1-10 wt %), CH3ReO3 also interacts with surface silanols by H-bonding. This gives rise to highly mobile sites, most of which can be observed by C-13 solid-state NMR even without magic-angle spinning. Their formation can be prevented by capping the surface hydroxyl groups with hexamethyldisilazane prior to grafting CH3ReO3, resulting in a metathesis catalyst that is more selective, more robust, and more efficient in terms of Re use. C1 Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Dept Chem, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Manual Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Chmelka, BF (reprint author), Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. EM bradc@engineering.ucsb.edu; sscott@engineering.ucsb.edu NR 40 TC 34 Z9 35 U1 1 U2 17 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 18 PY 2007 VL 129 IS 28 BP 8912 EP 8920 DI 10.1021/ja072707s PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 189CJ UT WOS:000247966200046 PM 17595088 ER PT J AU Zhang, KW Stocks, GM Zhong, JX AF Zhang, Kaiwang Stocks, G. Malcolm Zhong, Jianxin TI Melting and premelting of carbon nanotubes SO NANOTECHNOLOGY LA English DT Article ID ELECTRICAL BREAKDOWN; CLUSTERS; DYNAMICS; DEFECTS AB We report the results of molecular dynamics simulations of melting and premelting of single-walled carbon nanotubes (SWNTs). We found that the traditional critical Lindemann parameter for the melting of bulk crystals is not valid for SWNTs. Using the much smaller critical Lindemann parameter for the melting of nanoparticles as a criterion, we show that the melting temperature of perfect SWNTs is around 4800 K. We further show that Stone-Wales defects in a SWNT significantly reduce the melting temperature of atoms around the defects, resulting in the premelting of SWNTs at 2600 K. C1 Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Zhang, KW (reprint author), Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China. RI Stocks, George Malcollm/Q-1251-2016 OI Stocks, George Malcollm/0000-0002-9013-260X NR 24 TC 49 Z9 52 U1 1 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 EI 1361-6528 J9 NANOTECHNOLOGY JI Nanotechnology PD JUL 18 PY 2007 VL 18 IS 28 AR 285703 DI 10.1088/0957-4484/18/28/285703 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 184CP UT WOS:000247619000018 ER PT J AU Liu, GS Lu, ZM Zhang, DX AF Liu, Gaisheng Lu, Zhiming Zhang, Dongxiao TI Stochastic uncertainty analysis for solute transport in randomly heterogeneous media using a Karhunen-Loeve-based moment equation approach SO WATER RESOURCES RESEARCH LA English DT Article ID POROUS-MEDIA; CONCENTRATION FLUCTUATIONS; LOCALIZED ANALYSES; FLOW; DISPERSION; AQUIFERS; FRAMEWORK AB A new approach has been developed for solving solute transport problems in randomly heterogeneous media using the Karhunen-Loeve-based moment equation (KLME) technique proposed by Zhang and Lu (2004). The KLME approach combines the Karhunen-Loeve decomposition of the underlying random conductivity field and the perturbative and polynomial expansions of dependent variables including the hydraulic head, flow velocity, dispersion coefficient, and solute concentration. The equations obtained in this approach are sequential, and their structure is formulated in the same form as the original governing equations such that any existing simulator, such as Modular Three-Dimensional Multispecies Transport Model for Simulation of Advection, Dispersion, and Chemical Reactions of Contaminants in Groundwater Systems (MT3DMS), can be directly applied as the solver. Through a series of two-dimensional examples, the validity of the KLME approach is evaluated against the classical Monte Carlo simulations. Results indicate that under the flow and transport conditions examined in this work, the KLME approach provides an accurate representation of the mean concentration. For the concentration variance, the accuracy of the KLME approach is good when the conductivity variance is 0.5. As the conductivity variance increases up to 1.0, the mismatch on the concentration variance becomes large, although the mean concentration can still be accurately reproduced by the KLME approach. Our results also indicate that when the conductivity variance is relatively large, neglecting the effects of the cross terms between velocity fluctuations and local dispersivities, as done in some previous studies, can produce noticeable errors, and a rigorous treatment of the dispersion terms becomes more appropriate. C1 Univ Kansas, Kansas Geol Survey, Lawrence, KS 66047 USA. Los Alamos Natl Lab, Hydrol & Geochem Grp, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Hydrol & Geochem Grp, Los Alamos, NM 87545 USA. Univ Oklahoma, Mewbourne Sch Petr & Geol Engn, Norman, OK 73019 USA. Peking Univ, Coll Engn, Dept Energy & Resources Engn, Beijing 100871, Peoples R China. RP Liu, GS (reprint author), Univ Kansas, Kansas Geol Survey, 1930 Constant Ave, Lawrence, KS 66047 USA. EM gliu@kgs.ku.edu RI Zhang, Dongxiao/D-5289-2009; Liu, Gaisheng/K-3495-2015; OI Zhang, Dongxiao/0000-0001-6930-5994; Liu, Gaisheng/0000-0002-7900-0622; Lu, Zhiming/0000-0001-5800-3368 NR 34 TC 11 Z9 12 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD JUL 18 PY 2007 VL 43 IS 7 AR W07427 DI 10.1029/2006WR005193 PG 15 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 193RD UT WOS:000248291000002 ER PT J AU Cai, LF Roginskaya, M Qu, YX Yang, ZG Xu, Y Zou, Y AF Cai, Lifeng Roginskaya, Marina Qu, Youxing Yang, Zhengguan Xu, Ying Zou, Yue TI Structural characterization of human RPA sequential binding to single-stranded DNA using ssDNA as a molecular ruler SO BIOCHEMISTRY LA English DT Article ID REPLICATION-PROTEIN-A; NUCLEOTIDE EXCISION-REPAIR; INDUCED HYPERPHOSPHORYLATION; HUMAN-CELLS; HUMAN XPA; DAMAGE; DOMAIN; PHOSPHORYLATION; SUBUNIT; IDENTIFICATION AB Human replication protein A (RPA), a heterotrimer composed of RPA70, RPA32, and RPA14 subunits, contains four single-stranded DNA (ssDNA) binding domains (DBD): DBD-A, DBD-B, and DBD-C in RPA70 and DBD-D in RPA32. Although crystallographic or NMR structures of these DBDs and a trimerization core have been determined, the structure of the full length of RPA or the RPA-ssDNA complex remains unknown. In this article, we have examined the structural features of RPA interaction with ssDNA by fluorescence spectroscopy. Using a set of oligonucleotides (dT) with varying lengths as a molecular ruler and also as the substrate, we have determined at single-nucleotide resolution the relative positions of the ssDNA with interacting intrinsic tryptophans of RPA. Our results revealed that Trp528 in DBD-C and Trp107 in DBD-D contact ssDNA at the 16th and 24th nucleotides (nt) from the 5'-end of the substrate, respectively. Evaluation of the relative spatial arrangement of RPA domains in the RPA-ssDNA complex suggested that DBD-B and DBD-C are spaced by about 4 nt (similar to 19 A) apart, whereas DBD-C and DBD-D are spaced by about 7 nt (similar to 34 A). On the basis of these geometric constraints, a global structure model for the binding of the major RPA DBDs to ssDNA was proposed. C1 E Tennessee State Univ, Dept Biochem & Mol Biol, James H Quillen Coll Med, Johnson City, TN 37614 USA. Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. Oak Ridge Natl Lab, Computat Biol Inst, Prot Informat Grp, Div Life Sci, Oak Ridge, TN 37830 USA. RP Zou, Y (reprint author), E Tennessee State Univ, Dept Biochem & Mol Biol, James H Quillen Coll Med, Johnson City, TN 37614 USA. EM zouy@etsu.edu FU NCI NIH HHS [CA86927, R56 CA086927, R01 CA086927-03, R01 CA086927-05, R01 CA086927-04, R01 CA086927] NR 48 TC 23 Z9 23 U1 0 U2 3 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 17 PY 2007 VL 46 IS 28 BP 8226 EP 8233 DI 10.1021/bi7004976 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 188BI UT WOS:000247893000003 PM 17583916 ER PT J AU Teague, LC Banerjee, S Wong, SS Richter, CA Varughese, B Batteas, JD AF Teague, Lucile C. Banerjee, Sarbajit Wong, Stanislaus S. Richter, Curt A. Varughese, Bindhu Batteas, James D. TI Effects of ozonolysis and subsequent growth of quantum dots on the electrical properties of freestanding single-walled carbon nanotube films SO CHEMICAL PHYSICS LETTERS LA English DT Article ID SURFACE PRETREATMENTS; RAMAN-SPECTROSCOPY; FUNCTIONALIZATION; PURIFICATION; CONDUCTIVITY; ACTUATORS; CHEMISTRY; BEHAVIOR AB A significant challenge exists in probing the transport behavior of chemically modified single-walled carbon nanotubes (SWNTs). Thin films of SWNTs offer one facile approach to integration of these materials into electronics and sensing applications. Data on bulk resistivities of 'bucky paper' films created from HiPco SWNTs that were initially ozonized and subsequently decorated with CdTe quantum dots have been collected via 4-point probe measurements. Both the oxidation process and addition of CdTe nanocrystals result in increased bulk resistivities, presumably due to the introduction of additional scattering centers in tube sidewalls as well as charge traps in the CdTe functionalized tubes. (c) 2007 Elsevier B.V. All rights reserved. C1 Natl Inst Stand & Technol, Surface & Microanal Sci Div, Gaithersburg, MD 20899 USA. Univ Maryland, Dept Chem & Biochem, College Pk, MD USA. SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Teague, LC (reprint author), Natl Inst Stand & Technol, Surface & Microanal Sci Div, 100 Bur Dr Mailstop 8372, Gaithersburg, MD 20899 USA. EM lucileteague@gmail.com; sswong@notes.cc.sunysb.edu; batteas@mail.chem.tamu.edu RI Batteas, James/D-4144-2015 OI Batteas, James/0000-0002-6244-5000 NR 35 TC 15 Z9 15 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD JUL 17 PY 2007 VL 442 IS 4-6 BP 354 EP 359 DI 10.1016/j.cplett.2007.05.097 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 194ZM UT WOS:000248382300036 ER PT J AU DeShon, HR Thurber, CH Rowe, C AF DeShon, Heather R. Thurber, Clifford H. Rowe, Charlotte TI High-precision earthquake location and three-dimensional P wave velocity determination at Redoubt Volcano, Alaska SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID NORTHERN HAYWARD FAULT; LONG-PERIOD EVENTS; 1989-1990 ERUPTION; CALAVERAS FAULT; ARRIVAL TIMES; DOME GROWTH; CALIFORNIA; TOMOGRAPHY; SEISMICITY; RELOCATION AB Redoubt Volcano, Alaska poses significant volcanic hazard to the Cook Inlet region and overlying flight paths. During and following the most recent eruption in 1989 - 1990 the Alaska Volcano Observatory deployed up to 10 seismometers to improve real- time monitoring capabilities at Redoubt and continues to produce an annual earthquake catalog with associated arrival times for this volcano. We compute a three-dimensional P wave velocity model using double- difference tomography combined with waveform cross-correlation techniques to identify families of similar earthquakes and increase earthquake location precision at Redoubt. Absolute and differential times for well-constrained events are used to simultaneously invert for hypocenter location and P wave velocity structure. Shot and earthquake arrival times recorded by temporary stations deployed on Redoubt in July 1991 supplement the catalog picks. Double-difference tomography reduces uncertainties associated with absolute and relative earthquake locations and provides a clearer picture of three-dimensional velocity heterogeneity. All Redoubt data available through November 2005 are relocated through the three- dimensional model, and we investigate seismicity associated with the 1989 - 1990 eruption and compare cross-correlation coefficients to identify similar earthquakes within the catalog. Waveform similarity is high at Redoubt, especially during the eruptive phases, and event families include long-period shallow summit, hybrid, and both shallow summit and midcrust level volcano-tectonic earthquakes. We do not resolve a low-velocity feature in the three-dimensional P wave model that can be interpreted as a source magma chamber and prefer the idea of an interconnected body of dikes and sills as the source of magma erupted in 1989 - 1990. C1 Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP DeShon, HR (reprint author), Univ Wisconsin, Dept Geol & Geophys, 1215 W Dayton St, Madison, WI 53706 USA. OI Rowe, Charlotte/0000-0001-5803-0147 NR 60 TC 9 Z9 9 U1 0 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD JUL 17 PY 2007 VL 112 IS B7 AR B07312 DI 10.1029/2006JB004751 PG 24 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 193QD UT WOS:000248288200002 ER PT J AU Boxer, AL Rabinovici, GD Kepe, V Goldman, J Furst, AJ Huang, SC Baker, SL O'Neil, JP Chui, H Geschwind, MD Small, GW Barrio, JR Jagust, W Miller, BL AF Boxer, A. L. Rabinovici, G. D. Kepe, V. Goldman, J. Furst, A. J. Huang, S.-C. Baker, S. L. O'Neil, J. P. Chui, H. Geschwind, M. D. Small, G. W. Barrio, J. R. Jagust, W. Miller, B. L. TI Amyloid imaging in distinguishing atypical prion disease from Alzheimer disease SO NEUROLOGY LA English DT Article ID PITTSBURGH COMPOUND-B; ALZHEIMERS-DISEASE; PHENOTYPIC HETEROGENEITY; BRAIN; PET; MUTATIONS; INSERTION; DEPOSITS; PLAQUES; BINDING AB Objective: To compare the in vivo uptake of two amyloid-binding PET agents, PIB and FDDNP, in human subjects with a prion protein (PrP) gene (PRNP) mutation that produces a clinical syndrome similar to Alzheimer disease (AD). Background: Amyloid imaging with specific PET ligands offers great promise for early detection and differential diagnosis of AD. Genetic forms of prion disease can present with clinical features that resemble AD, and at autopsy may show deposition of mutant PrP-amyloid. FDDNP binds to PrP-amyloid in postmortem human specimens, but has not been reported in vivo in prion disease. The ability of PIB to bind PrP-amyloid is not known. Methods: Two brothers with a 6 octapeptide repeat insertion mutation (6-OPRI) in the PRNP gene underwent clinical, structural MRI, and FDG-PET evaluations. One brother received a PIB-PET evaluation, while the other received an FDDNP-PET scan. PET results were compared with five normal subjects and five individuals with AD scanned with either agent. Results: PIB uptake was similar to controls in one brother, while FDDNP uptake was intermediate between AD and controls in the other brother. Conclusions: Different amyloid-binding agents may have differential sensitivity to prion-related brain pathology. A combination of amyloid imaging agents may be useful in the diagnosis of early-onset dementia. C1 Univ Calif San Francisco, Dept Neurol, Memory & Aging Ctr, San Francisco, CA 94143 USA. Univ Calif Los Angeles, Dept Mol & Med Pharmacol, Los Angeles, CA USA. Univ Calif Los Angeles, Ctr Aging, Semel Inst Neurosci & Human Behav, David Geffen Sch Med, Los Angeles, CA USA. Columbia Univ, Coll Phys & Surg, Gertrude H Sergievsky Ctr, New York, NY USA. Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ So Calif, Dept Neurol, Los Angeles, CA 90089 USA. RP Boxer, AL (reprint author), Univ Calif San Francisco, Dept Neurol, Memory & Aging Ctr, Box 1207, San Francisco, CA 94143 USA. EM aboxer@memory.ucsf.edu FU NCRR NIH HHS [M01 RR00079]; NIA NIH HHS [K23 AG021989, P01 AG019724, P50 AG-03-006-01]; NINDS NIH HHS [K23 NS48855, N01 NS02328] NR 20 TC 36 Z9 38 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0028-3878 J9 NEUROLOGY JI Neurology PD JUL 17 PY 2007 VL 69 IS 3 BP 283 EP 290 DI 10.1212/01.wnl.0000265815.38958.b6 PG 8 WC Clinical Neurology SC Neurosciences & Neurology GA 190LN UT WOS:000248060400010 PM 17636066 ER PT J AU Marcy, Y Ouverney, C Bik, EM Losekann, T Ivanova, N Martin, HG Szeto, E Platt, D Hugenholtz, P Relman, DA Quake, SR AF Marcy, Yann Ouverney, Cleber Bik, Elisabeth M. Loesekann, Tina Ivanova, Natalia Martin, Hector Garcia Szeto, Ernest Platt, Darren Hugenholtz, Philip Relman, David A. Quake, Stephen R. TI Dissecting biological "dark matter" with single-cell genetic analysis of rare and uncultivated TM7 microbes from the human mouth SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE environmental microbiology; metagenomics; microfluidics; single-cell analysis ID HUMAN SUBGINGIVAL PLAQUE; RIBOSOMAL-RNA SEQUENCES; DIVISION TM7; BACTERIA; POLYMERASE; GENOMES; CLONING AB We have developed a microfluidic device that allows the isolation and genome amplification of individual microbial cells, thereby enabling organism-level genomic analysis of complex microbial ecosystems without the need for culture. This device was used to perform a directed survey of the human subgingival crevice and to isolate bacteria having rod-like morphology. Several isolated microbes had a 16S rRNA sequence that placed them in candidate phylum TM7, which has no cultivated or sequenced members. Genome amplification from individual TM7 cells allowed us to sequence and assemble >1,000 genes, providing insight into the physiology of members of this phylum. This approach enables single-cell genetic analysis of any uncultivated minority member of a microbial community. C1 Stanford Univ, Howard Hughes Med Inst, Dept Bioengn, Stanford, CA 94305 USA. San Jose State Univ, Dept Biol Sci, San Jose, CA 95192 USA. Stanford Univ, Dept Microbiol & Immunol, Dept Med, Stanford, CA 94305 USA. Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Quake, SR (reprint author), Stanford Univ, Howard Hughes Med Inst, Dept Bioengn, Stanford, CA 94305 USA. EM quake@stanford.edu RI Garcia Martin, Hector/B-5357-2009; Hugenholtz, Philip/G-9608-2011; Losekann, Tina/J-6358-2014; OI Garcia Martin, Hector/0000-0002-4556-9685; Ouverney, Cleber/0000-0002-4135-7562; hugenholtz, philip/0000-0001-5386-7925 FU NHGRI NIH HHS [1R01 HG002644-01A1, R01 HG002644] NR 27 TC 304 Z9 309 U1 11 U2 65 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 17 PY 2007 VL 104 IS 29 BP 11889 EP 11894 DI 10.1073/pnas.0704662104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 192KA UT WOS:000248199200007 PM 17620602 ER PT J AU Ozkan, SB Wu, GA Chodera, JD Dill, KA AF Ozkan, S. Banu Wu, G. Albert Chodera, John D. Dill, Ken A. TI Protein folding by zipping and assembly SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE protein structure prediction; replica-exchange molecular dynamics ID EXCHANGE MOLECULAR-DYNAMICS; FREE-ENERGY LANDSCAPE; HISTOGRAM ANALYSIS METHOD; IMPLICIT SOLVENT MODEL; BETA-HAIRPIN; FORCE-FIELD; STRUCTURE PREDICTION; 2-STATE PROTEINS; TRP-CAGE; B-DOMAIN AB How do proteins fold so quickly? Some denatured proteins fold to their native structures in only microseconds, on average, implying that there is a folding "mechanism," i.e., a particular set of events by which the protein short-circuits a broader conformational search. Predicting protein structures using atomically detailed physical models is currently challenging. The most definitive proof of a putative folding mechanism would be whether it speeds up protein structure prediction in physical models. In the zipping and assembly (ZA) mechanism, local structuring happens first at independent sites along the chain, then those structures either grow (zip) or coalescence (assemble) with other structures. Here, we apply the ZA search mechanism to protein native structure prediction by using the AMBER96 force field with a generalized Born/surface area implicit solvent model and sampling by replica exchange molecular dynamics. Starting from open denatured conformations, our algorithm, called the ZA method, converges to an average of 2.2 A from the Protein Data Bank native structures of eight of nine proteins that we tested, which ranged from 25 to 73 aa in length. In addition, experimental Phi values, where available on these proteins, are consistent with the predicted routes. We conclude that ZA is a viable model for how proteins physically fold. The present work also shows that physics-based force fields are quite good and that physics-based protein structure prediction may be practical, at least for some small proteins. C1 Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94143 USA. Univ Calif San Francisco, Grad Grp Biophys, San Francisco, CA 94143 USA. RP Dill, KA (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. EM dill@zimm.compbio.ucsf.edu OI Chodera, John/0000-0003-0542-119X FU NIGMS NIH HHS [GM34993, R01 GM034993] NR 50 TC 88 Z9 89 U1 1 U2 10 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 17 PY 2007 VL 104 IS 29 BP 11987 EP 11992 DI 10.1073/pnas.0703700104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 192KA UT WOS:000248199200024 PM 17620603 ER PT J AU Levitskaia, TG Sinkov, SI Bryan, SA AF Levitskaia, Tatiana G. Sinkov, Sergei I. Bryan, Samuel A. TI In situ perchlorate determination on Purolite A850 ion exchange resin via Raman spectroscopy SO VIBRATIONAL SPECTROSCOPY LA English DT Article DE perchlorate; Raman; ion exchange; purolite A850; ground water ID MATRICES; ISSUES; PLANTS; WATER AB The reported investigation represents a first step toward development of a sensor methodology for in situ determination of ionic species retained on ion exchange column. Raman spectroscopy was demonstrated as a detection method for the determination of perchlorate loading on a nonselective ion exchange resin, Purolite A850 acrylic gel. This method has been established using laboratory water (DIW) samples and actual California ground water (CAGW) samples with the complexities of competing ions, dissolved organics, and other potential interfering agents. The detection limit for this method of monitoring perchlorate on resin was measured to be 0.014 miliequivalent g(-1) for both DIW and CAGW systems. The anion selectivity of the A850 resin was determined via batch contact experiments using CAGW. Linear correlation between resin loading with perchlorate and the intensity of the Raman perchlorate signal was observed and quantitatively described. The obtained relationship was applied for the determination of the perchlorate retained on the A850 resin in the column elution experiments. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Levitskaia, TG (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-22, Richland, WA 99352 USA. EM Tatiana.levitskaia@pnl.gov; Sam.bryan@pni.gov RI Bryan, Samuel/D-5457-2015 OI Bryan, Samuel/0000-0001-5664-3249 NR 26 TC 6 Z9 8 U1 1 U2 4 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 17 PY 2007 VL 44 IS 2 BP 316 EP 323 DI 10.1016/j.vibspec.2007.02.002 PG 8 WC Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Chemistry; Spectroscopy GA 198CK UT WOS:000248604400015 ER PT J AU Balasubramanian, M Johnson, CS Cross, JO Seidler, GT Fister, TT Stern, EA Hamner, C Mariager, SO AF Balasubramanian, M. Johnson, C. S. Cross, J. O. Seidler, G. T. Fister, T. T. Stern, E. A. Hamner, C. Mariager, S. O. TI Fine structure and chemical shifts in nonresonant inelastic x-ray scattering from Li-intercalated graphite SO APPLIED PHYSICS LETTERS LA English DT Article ID RECHARGEABLE LITHIUM BATTERIES; MOMENTUM-TRANSFER DEPENDENCE; ELECTRONIC-STRUCTURE; EMISSION-SPECTROSCOPY; CHARGE-TRANSFER; BOND LENGTHS; EDGE; BAND AB The authors report measurements of hard x-ray nonresonant inelastic x-ray scattering (IXS) from the Li and C 1s electrons of fully staged LiC6 Li-intercalated graphite prepared by both chemical and electrochemical methods. They find that the Li 1s orbital shifts to higher energies relative to Li metal. Relative to graphite, the C 1s IXS for LiC6 shows a shift for the sigma-orbital threshold to lower energies, but no shift for the pi(*) resonance. The findings provide bulk-sensitive evidence for substantial charge transfer from the Li intercalant to the carbon host and establish important groundwork for future in situ electrochemical studies. (C) 2007 American Institute of Physics. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Washington, Seattle, WA 98195 USA. Washington State Univ, Pullman, WA 99164 USA. Univ Copenhagen, Neils Bohr Inst, DK-1017 Copenhagen, Denmark. RP Balasubramanian, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mali@aps.an1.gov; seidler@phys.washington.edu RI Seidler, Gerald/I-6974-2012 NR 37 TC 25 Z9 25 U1 0 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 16 PY 2007 VL 91 IS 3 AR 031904 DI 10.1063/1.2752755 PG 3 WC Physics, Applied SC Physics GA 192IH UT WOS:000248194000013 ER PT J AU Choudhury, S Chen, LQ Li, YL AF Choudhury, S. Chen, L. Q. Li, Y. L. TI Correlation between number of ferroelectric variants and coercive field of lead ziconate titanate single crystals SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; DOMAIN FORMATION; PZT CERAMICS; SOL-GEL; EVOLUTION; DYNAMICS; BEHAVIOR; REVERSAL; POWDERS AB Understanding the magnitude of coercive fields, the external electric field that results in zero net polarization, has been a long-standing problem for ferroelectrics. The authors studied the switching and coercive fields using a combination of the continuum phase field approach, microelasticity, and electrostatics. While the values of coercive fields predicted from the phenomenological thermodynamic theory assuming a single ferroelectric domain or the theory of nucleation are at least one order of magnitude too high compared to those measured experimentally, the predictions incorporating structural inhomogeneities show remarkably good agreement with experimental measurements, revealing the critical role of multidomain/variants in polarization switching. (C) 2007 American Institute of Physics. C1 Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. Los Alamos Natl Lab, MPA STC, MS K763, Los Alamos, NM 87545 USA. RP Choudhury, S (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. EM sxc398@psu.edu RI Choudhury, Samrat/B-4115-2009; Chen, LongQing/I-7536-2012 OI Chen, LongQing/0000-0003-3359-3781 NR 24 TC 14 Z9 14 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 16 PY 2007 VL 91 IS 3 AR 032902 DI 10.1063/1.2759274 PG 3 WC Physics, Applied SC Physics GA 192IH UT WOS:000248194000031 ER PT J AU Ingole, S Aella, P Hearne, SJ Picraux, ST AF Ingole, S. Aella, P. Hearne, Sean J. Picraux, S. T. TI Directed assembly of nanowire contacts using electrodeposition SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON; INTEGRATION; TRANSISTORS; DEVICES AB A maskless process for the directed assembly of Ni contacts to Si nanowires on prepatterned electrodes is reported. Microarrays of thin Au/Cr electrodes were lithographically formed on oxidized Si substrates followed by electric-field assisted alignment of Si nanowires between the electrodes. The nanowire ends were then embedded in Ni by selective electrodeposition over the prepatterned electrodes. Annealing to 300 degrees C provided good electrical contacts for transport through the doped nanowires. This approach provides a parallel, maskless method to establish metal contacts to the nanowires without the need of high resolution electron beam lithography for electrical and mechanical applications. (C) 2007 American Institute of Physics. C1 Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Ingole, S (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM picraux@lanl.gov NR 17 TC 13 Z9 13 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 16 PY 2007 VL 91 IS 3 AR 033106 DI 10.1063/1.2757609 PG 3 WC Physics, Applied SC Physics GA 192IH UT WOS:000248194000039 ER PT J AU Zurbuchen, MA Freitas, RS Wilson, MJ Schiffer, P Roeckerath, M Schubert, J Biegalski, MD Mehta, GH Comstock, DJ Lee, JH Jia, Y Schlom, DG AF Zurbuchen, M. A. Freitas, R. S. Wilson, M. J. Schiffer, P. Roeckerath, M. Schubert, J. Biegalski, M. D. Mehta, G. H. Comstock, D. J. Lee, J. H. Jia, Y. Schlom, D. G. TI Synthesis and characterization of an n=6 Aurivillius phase incorporating magnetically active manganese, Bi-7(Mn,Ti)(6)O-21 SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; GROWTH; OXIDES; POLARIZATION; COMPOSITES; BIMNO3 AB Epitaxial films of Bi7Mn3.75Ti2.25O21 were prepared to yield a previously unsynthesized material. The superlattice phase is produced by incorporating the magnetoelectric BiMnO3 into the perovskite substructure of the ferroelectric Bi4Ti3O12, a strategy which is hoped to yield previously undiscovered multiferroic materials. X-ray diffraction and transmission electron microscopy (TEM) confirm synthesis of an epitaxial n=6 Aurivillius phase. Magnetization measurements show ferromagnetic behavior with a Curie point of 55 K, but electronic polarization measurements show no remanent polarization. Rutherford backscattering spectrometry indicates a channeling minimum chi(min) of 22%, consistent with the high density of out-of-phase domain boundaries observed by TEM. (C) 2007 American Institute of Physics. C1 Aerosp Corp, Elect & Photon Lab, El Segundo, CA 90245 USA. Penn State Univ, Dept Phys, University Pk, PA 16802 USA. Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. Univ Sao Paulo, Inst Fis, BR-05315970 Sao Paulo, Brazil. Forschungszentrum Julich, IBN 1IT, D-52425 Julich, Germany. Forschungszentrum Julich, CNI, D-52425 Julich, Germany. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Zurbuchen, MA (reprint author), Aerosp Corp, Elect & Photon Lab, El Segundo, CA 90245 USA. EM mark.a.zurbuchen@aero.org RI Schiffer, Peter/F-3227-2011; Zurbuchen, Mark/H-1664-2012; Schlom, Darrell/J-2412-2013; Freitas, Rafael/K-1034-2013; Schubert, Jurgen/K-9543-2013; OI Zurbuchen, Mark/0000-0002-8947-6309; Schlom, Darrell/0000-0003-2493-6113; Schubert, Jurgen/0000-0003-0185-6794; Schiffer, Peter/0000-0002-6430-6549; Freitas, Rafael/0000-0002-0225-6195 NR 35 TC 14 Z9 14 U1 2 U2 30 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 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 16 PY 2007 VL 91 IS 3 AR 033113 DI 10.1063/1.2756163 PG 3 WC Physics, Applied SC Physics GA 192IH UT WOS:000248194000046 ER PT J AU Cwiklik, L Andersson, G Dang, LX Jungwirth, P AF Cwiklik, Lukasz Andersson, Gunther Dang, Liern X. Jungwirth, Pavel TI Segregation of inorganic ions at surfaces of polar nonaqueous liquids SO CHEMPHYSCHEM LA English DT Review ID INITIO MOLECULAR-DYNAMICS; SALT-SOLUTIONS; WATER-SURFACE; AIR/WATER INTERFACE; AQUEOUS INTERFACES; SOLID-SURFACES; SUM-FREQUENCY; FORCE-FIELD; SIMULATIONS; CHEMISTRY AB We present a short review of recent computational and experimental studies on surfaces of solutions of inorganic salts in polar nonaqueous solvents. These investigations complement our knowledge of aqueous interfaces and show that liquids such as formamide, liquid ammonia, and ethylene glycol con also surface-segregate large polarizable anions like iodide, albeit less efficiently than water. For liquids whose surfaces are covered with hydrophobic groups (e.g. methanol), the surface-ion effect oil but disappears. Based on the present data a general picture of inorganic-ion solvation at the solution-vapor interface of polar liquids is outlined. C1 Acad Sci Czech Republic, Ctr Biomol & Complex Mol Syst, Inst Organ Chem & Biochem, Prague 16610, Czech Republic. Univ Leipzig, Wihelm Ostwald Inst Phys & Theoret Chem, D-04103 Leipzig, Germany. Flinders Univ S Australia, Sch Chem Phys & Earth Sci, Adelaide, SA 5031, Australia. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Jungwirth, P (reprint author), Acad Sci Czech Republic, Ctr Biomol & Complex Mol Syst, Inst Organ Chem & Biochem, Flemingovo Nam 2, Prague 16610, Czech Republic. EM pavel.jungwirth@uochb.cas.cz RI Cwiklik, Lukasz/A-7206-2008; Jungwirth, Pavel/D-9290-2011; OI Cwiklik, Lukasz/0000-0002-2083-8738; Jungwirth, Pavel/0000-0002-6892-3288; Andersson, Gunther/0000-0001-5742-3037 NR 38 TC 19 Z9 19 U1 1 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1439-4235 J9 CHEMPHYSCHEM JI ChemPhysChem PD JUL 16 PY 2007 VL 8 IS 10 BP 1457 EP 1463 DI 10.1002/cphc.200700039 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 193CK UT WOS:000248251100002 PM 17520587 ER PT J AU Robinson, DB Lee, ES Iqbal, Z Rognlien, JL Davalos, RV AF Robinson, David B. Lee, Eunice S. Iqbal, Zohora Rognlien, Judith L. Davalos, Rafael V. TI Reinforced vesicles withstand rigors of microfluidic electroporation SO SENSORS AND ACTUATORS B-CHEMICAL LA English DT Article DE vesicle; microfluidic; gel-filled; electroporation; pressure ID GIANT UNILAMELLAR VESICLES; LIPID VESICLES; CELL; LIPOSOMES; CHIP; TRANSFORMATIONS; SPECTROSCOPY; MANIPULATION; GENERATION; CONTAINERS AB Living cells synthesize and utilize femtomole and picoliter amounts of material, and an important goal of analytical chemistry is to develop artificial interfaces to efficiently study substances on this scale. This could be achieved with a picoliter container that could be controllably loaded, transported, and unloaded, most desirably in a microfluidic environment. Phospholipid vesicles - surfactant multilayers that can form 10 mu m spheres - have been studied for this purpose, but they suffer from fragility and high deformability, which have made them difficult to handle and have limited their application. We present an approach in which a gel is formed in vesicles shortly after they are created. Microfluidic mechanical testing of these vesicles shows that, in the absence of gel, vesicles are difficult to maintain in a trapped state, but the reinforced vesicles exhibit a wide window of pressures under which they can be trapped and manipulated. This improvement is likely to be an essential feature of practical applications of vesicles as microfluidic cargo containers. (c) 2007 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Robinson, DB (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM drobins@sandia.gov RI Davalos, Rafael/F-9012-2011 NR 39 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-4005 J9 SENSOR ACTUAT B-CHEM JI Sens. Actuator B-Chem. PD JUL 16 PY 2007 VL 125 IS 1 BP 337 EP 342 DI 10.1016/j.snb.2007.02.028 PG 6 WC Chemistry, Analytical; Electrochemistry; Instruments & Instrumentation SC Chemistry; Electrochemistry; Instruments & Instrumentation GA 196XJ UT WOS:000248516100048 ER PT J AU Fang, N Li, JW Yeung, ES AF Fang, Ning Li, Jiangwei Yeung, Edward S. TI Quantitative analysis of systematic errors originated from wall adsorption and sample plug lengths in affinity capillary electrophoresis using two-dimensional simulation SO ANALYTICAL CHEMISTRY LA English DT Article ID MONTE-CARLO-SIMULATION; 2 CO-IONS; ZONE-ELECTROPHORESIS; BINDING CONSTANTS; BACKGROUND ELECTROLYTES; NUMERICAL-SIMULATION; RECTANGULAR HYPERBOLAE; MATHEMATICAL-MODEL; PEAK DISPERSION; ELECTROMIGRATION AB Two-dimensional (2D) simulation of capillary electrophoresis is developed to model affinity interaction and wall adsorption simultaneously. Finite difference schemes are used to evaluate the mass-transfer equation in cylindrical coordinates. A Langmuir second-order kinetic law is applied to regulate the wall adsorption and desorption processes. Contributions from the simulation parameters are investigated extensively, and parameters for accurate and efficient simulation are identified. With the 2D model, capillary zone electrophoresis and affinity capillary electrophoresis (ACE) in the presence of strong or weak wall adsorption are simulated to elucidate peak distortions. Finite sample injection length/amount and wall adsorption that lead to systematic errors in the estimated binding constants in ACE are quantified for the first time with both actual experiments and computer simulation. Methods for correcting the estimated binding constants are proposed to extend the usefulness of ACE. C1 Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. EM yeung@ameslab.gov RI Fang, Ning/A-8456-2011 NR 43 TC 12 Z9 12 U1 1 U2 7 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 2007 VL 79 IS 14 BP 5343 EP 5350 DI 10.1021/ac070412r PG 8 WC Chemistry, Analytical SC Chemistry GA 189MI UT WOS:000247992600031 PM 17563119 ER PT J AU Zhang, Y Phillips, GJ Yeung, ES AF Zhang, Yun Phillips, Gregory J. Yeung, Edward S. TI Real-time monitoring of single bacterium lysis and leakage events by chemiluminescence microscopy SO ANALYTICAL CHEMISTRY LA English DT Article ID CELLS; LIGHT; ATP; ANHYDROBIOSIS; LUCIFERASE; EXPRESSION; ORGANISMS; RELEASE; SYSTEM; GENE AB The small size of bacteria makes it difficult to study the biochemistry inside single cells. The amount of material inside is limited; therefore, an ultrasensitive method is required to interrogate single cells. Using a sensitive ICCD detector to record chemiluminescence (CL) from an optimized firefly luciferase-ATP bioluminescence reaction system, we report for the first time real-time imaging of lysis and leakage of single bacterium with 10-s temporal resolution. Movies are generated to visualize how the cell membrane was damaged by phage lysis, antibiotics attack, or dehydration, as well as the wall repair and cell recovery processes. The results show single-cell variations that are not obtainable from bulk measurements, confirming that CL microscopy of luciferase-expressing bacteria is a powerful tool for studying the fundamental biology of cells. C1 Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. EM yeung@ameslab.gov NR 32 TC 4 Z9 4 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD JUL 15 PY 2007 VL 79 IS 14 BP 5373 EP 5381 DI 10.1021/ac070477u PG 9 WC Chemistry, Analytical SC Chemistry GA 189MI UT WOS:000247992600035 PM 17550231 ER PT J AU Dagle, RA Wang, Y Xia, GG Strohm, JJ Holladay, J Palo, DR AF Dagle, Robert A. Wang, Yong Xia, Guan-Guang Strohm, James J. Holladay, Jamelyn Palo, Daniel R. TI Selective CO methanation catalysts for fuel processing applications SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE methanation; CO removal; Ru/Al2O3 catalysts; fuel processing; microreactor ID CARBON-MONOXIDE; CELL SYSTEMS; HYDROGEN AB Selective CO methanation as a strategy for CO removal in fuel processing applications was investigated over Ru-based catalysts. Ru metal loading and crystallite size were shown to affect catalyst activity and selectivity. Even operating at a gas-hourly-space-velocity as high as 13,500 h(-1), a 3% Ru/Al2O3 catalyst with a 34.2 nm crystallite was shown to be capable of reducing CO in a reformate to less than 100 ppm over a wide temperature range front 240 to 280 degrees C, while keeping hydrogen consumption below 10%. We present the effects of metal loading, preparation method, and crystallite size on performance for Ru-based catalysts in the selective methanation of CO in the presence of H-2 and CO2. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Microprod Breakthrough Inst, Corvallis, OR 97339 USA. RP Dagle, RA (reprint author), Pacific NW Natl Lab, 902 Battle Blvd,POB 999, Richland, WA 99352 USA. EM robert.dagle@pnl.gov; yongwang@pnl.gov RI Wang, Yong/C-2344-2013 NR 21 TC 86 Z9 95 U1 1 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD JUL 15 PY 2007 VL 326 IS 2 BP 213 EP 218 DI 10.1016/j.apcata.2007.04.015 PG 6 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 189ZX UT WOS:000248028600011 ER PT J AU Newberg, LA Thompson, WA Conlan, S Smith, TM Mccue, LA Lawrence, CE AF Newberg, Lee A. Thompson, William A. Conlan, Sean Smith, Thomas M. McCue, Lee Ann Lawrence, Charles E. TI A phylogenetic Gibbs sampler that yields centroid solutions for cis-regulatory site prediction SO BIOINFORMATICS LA English DT Article ID FACTOR-BINDING SITES; COREGULATED GENES; ESCHERICHIA-COLI; YERSINIA-PSEUDOTUBERCULOSIS; MOTIFS; IDENTIFICATION; SEQUENCES; MODELS; PESTIS; TREES AB Motivation: Identification of functionally conserved regulatory elements in sequence data from closely related organisms is becoming feasible, due to the rapid growth of public sequence databases. Closely related organisms are most likely to have common regulatory motifs; however, the recent speciation of such organisms results in the high degree of correlation in their genome sequences, confounding the detection of functional elements. Additionally, alignment algorithms that use optimization techniques are limited to the detection of a single alignment that may not be representative. Comparative-genomics studies must be able to address the phylogenetic correlation in the data and efficiently explore the alignment space, in order to make specific and biologically relevant predictions. Results: We describe here a Gibbs sampler that employs a full phylogenetic model and reports an ensemble centroid solution. We describe regulatory motif detection using both simulated and real data, and demonstrate that this approach achieves improved specificity, sensitivity, and positive predictive value over non-phylogenetic algorithms, and over phylogenetic algorithms that report a maximum likelihood solution. C1 Brown Univ, Ctr Computat Mol Biol, Providence, RI 02912 USA. Brown Univ, Div Appl Math, Providence, RI 02912 USA. New York State Dept Hlth, Wadsworth Ctr, Albany, NY 12201 USA. Rensselaer Polytech Inst, Dept Comp Sci, Troy, NY 12180 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Thompson, WA (reprint author), Brown Univ, Ctr Computat Mol Biol, Providence, RI 02912 USA. EM William_Thompson_l@brown.edu RI Conlan, Sean/B-4401-2008; OI Conlan, Sean/0000-0001-6848-3465; McCue, Lee Ann/0000-0003-4456-517X FU NCRR NIH HHS [2P20-RR01-5578-06, P20 RR015578, P20 RR015578-07]; NHGRI NIH HHS [K25 HG003291, K25 HG003291-02, K25 HG003291-03, K25-HG003291, R01 HG001257, R01 HG001257-08, R01 HG001257-09, R01-HG01257] NR 36 TC 21 Z9 23 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD JUL 15 PY 2007 VL 23 IS 14 BP 1718 EP 1727 DI 10.1093/bioinformatics/btm241 PG 10 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 207JV UT WOS:000249248300002 PM 17488758 ER PT J AU Brown, K Tompkins, EM Boocock, DJ Martin, EA Farmer, PB Turteltaub, KW Ubick, E Hemingway, D Horner-Glister, E White, INH AF Brown, Karen Tompkins, Elaine M. Boocock, David J. Martin, Elizabeth A. Farmer, Peter B. Turteltaub, Kenneth W. Ubick, Esther Hemingway, David Horner-Glister, Emma White, Ian N. H. TI Tamoxifen forms DNA adducts in human colon after administration of a single [C-14]-labeled therapeutic dose SO CANCER RESEARCH LA English DT Article ID ACCELERATOR MASS-SPECTROMETRY; EARLY BREAST-CANCER; ALPHA-HYDROXYTAMOXIFEN; HUMAN ENDOMETRIUM; N-DESMETHYLTAMOXIFEN; RISK-ASSESSMENT; HUMAN LIVER; IN-VITRO; IDENTIFICATION; RAT AB Tamoxifen is widely prescribed for the treatment of breast cancer and is also licensed in the United States for the prevention of this disease. However, tamoxifen therapy is associated with an increased occurrence of endometrial cancer in women, and there is also evidence that it may elevate the risk of colorectal cancer. The underlying mechanisms responsible for tamoxifen-induced carcinogenesis in women have not vet been elucidated, but much interest has focused on the role of DNA adduct formation. We investigated the propensity of tamoxifen to bind irreversibly to colorectal DNA when given to 10 women as a single [C-14]-labeled therapeutic (20 mg) dose, similar to 18 h before undergoing colon resections. Using the sensitive technique of accelerator mass spectrometry, coupled with high-performance liquid chromatography separation of enzymatically digested DNA, a peak corresponding to authentic dG-N-2-tamoxifen adduct was detected in samples from three patients. at levels ranging from 1 to 7 adducts/10(9) nucleotides. No [C-14]-radiolabel associated with tamoxifen or its major metabolites was detected. The presence of detectable CYP3A4 protein in all colon samples suggests that this tissue has the potential to activate tamoxifen to alpha-hydroxytamoxifen, in addition to that occurring in the systemic circulation, and direct interaction of this metabolite with DNA could account for the binding observed. Although the level of tamoxifen-induced damage displayed a degree of interindividual variability, when present, it was similar to 10 to 100 times higher than that reported for other suspect human colon carcinogens such as 2-amino-1-methyl-6-phenyimidazo[4,5-b]pyridine. These findings provide a mechanistic basis through which tamoxifen could increase the incidence of colon cancers in women. C1 Univ Leicester, Dept Canc Studies & Mol Med, Canc Biomarkers & Prevent Grp, Leicester LE2 7LX, Leics, England. Univ Leicester, Dept Canc Studies & Mol Med, Mol Endocrinol Grp, MRC, Leicester LE2 7LX, Leics, England. Leicester Royal Infirm, Leicester, Leics, England. AstraZeneca, Alderley Pk, Cheshire, England. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Brown, K (reprint author), Univ Leicester, Dept Canc Studies & Mol Med, Canc Biomarkers & Prevent Grp, Robert Kilpatrick Clin Sci Bldg, Leicester LE2 7LX, Leics, England. EM kb20@le.ac.uk RI Boocock, David/I-4666-2015 OI Boocock, David/0000-0002-7333-3549 FU Medical Research Council [G0100873]; NCRR NIH HHS [P41 RR 13461] NR 49 TC 17 Z9 18 U1 0 U2 2 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 2007 VL 67 IS 14 BP 6995 EP 7002 DI 10.1158/0008-5472.CAN-07-0913 PG 8 WC Oncology SC Oncology GA 194BN UT WOS:000248319000055 PM 17638912 ER PT J AU Cao, CS Palo, DR Tonkovich, ALY Wang, Y AF Cao, Chunshe Palo, Daniel R. Tonkovich, Anna Lee Y. Wang, Yong TI Catalyst screening and kinetic studies using microchannel reactors SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT Topical Conference on Applications of Micro-Reactor Engineering held at the AIChE Spring Conference CY APR 23-27, 2006 CL Orlando, FL SP Amer Inst Chem Engineers DE high throughput catalyst screening; microchannel reactor; kinetics studies; combinatorial catalysis ID PARALLEL SYNTHESIS; OXIDATION; METHANOL; PROCESSORS; LIBRARIES AB A multi-parallel microchannel reactor system is described, as related to catalyst screening and discovery for heat-intensive heterogeneous catalytic reactions. Example systems are detailed in which the rapid heat transfer of the screening device is utilized to maintain isothermal operation in multiple channels for catalyst screening as well as kinetic investigations. The advantages of the system and pertinent results are discussed, specifically for Fischer-Tropsch synthesis and methanol steam reforming applications. (c) 2007 Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, Y (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM yongwang@pnl.gov RI Wang, Yong/C-2344-2013 NR 26 TC 25 Z9 26 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD JUL 15 PY 2007 VL 125 IS 1-2 BP 29 EP 33 DI 10.1016/j.cattod.2007.03.058 PG 5 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 195JR UT WOS:000248409000006 ER PT J AU Hu, JL Brooks, KP Holladay, JD Howe, DT Simon, TM AF Hu, Jianli Brooks, Kriston P. Holladay, Jamelyn D. Howe, Daniel T. Simon, Thomas M. TI Catalyst development for microchannel reactors for martian in situ propellant production SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT Topical Conference on Applications of Micro-Reactor Engineering held at the AIChE Spring Conference CY APR 23-27, 2006 CL Orlando, FL SP Amer Inst Chem Engineers DE microchannel reactor; RWGS; Sabatier reaction; structured catalyst; ISRU; Mars exploration ID CARBON-DIOXIDE; HYDROGENATION AB Catalytic microchannel reactors were designed for in situ propellant production for Mars exploration. In the reactor system, the Sabatier and the reverse water-gas-shift (RWGS) reactions were carried out for methane and oxygen production using carbon dioxide and hydrogen as feed stock. The focus of the present study was on developing catalysts for these two reactions, aiming at intensifying reactor operation. Demonstrated in this study were the catalyst development pathways and integration methodologies for microchannel reactor system. Initially, near intrinsic kinetic performance was obtained with powder form catalyst. Catalytic performance of the powder form material was therefore used to guide development of structured catalysts which were fabricated on FeCrAlY substrates. In this study, the effects of the noble metals and the properties of their supports on the conversion of CO2 were evaluated. It was found that 3% Ru/TiO2 (R/A = 60:40) and 6%Ru/CeO2-ZrO2 were very active Sabatier and RWGS catalysts allowing to achieve near equilibrium conversion at high throughputs. In the stability testing under repeated start-up and shutdown cycles, both the Sabatier and the RWGS catalysts Were stable, retaining initial activities for sustained period of time. (c) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. NASA, Lyndon B Johnson Space Ctr, Houston, TX 77058 USA. RP Hu, JL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM jianli.hu@pnl.gov NR 10 TC 11 Z9 11 U1 1 U2 17 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD JUL 15 PY 2007 VL 125 IS 1-2 BP 103 EP 110 DI 10.1016/j.cattod.2007.01.067 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 195JR UT WOS:000248409000016 ER PT J AU Putirka, KD Perfit, M Ryerson, FJ Jackson, MG AF Putirka, Keith D. Perfit, Michael Ryerson, F. J. Jackson, Matthew G. TI Ambient and excess mantle temperatures, olivine thermometry, and active vs. passive upwelling SO CHEMICAL GEOLOGY LA English DT Review DE mantle plumes; hot spots; thermometry; olivine; geothermal gradient; mid-ocean ridge ID MIDOCEAN RIDGE BASALTS; HIGH-ALUMINA BASALTS; JOTUNITE HYPERSTHENE MONZODIORITE; PHASE-EQUILIBRIUM CONSTRAINTS; CALC-ALKALINE DIFFERENTIATION; PARTIAL MELT COMPOSITIONS; SOLIDUS PERIDOTITE MELTS; MEDICINE LAKE VOLCANO; TRANSITION ZONE; OCEAN-RIDGE AB Mantle temperatures provide a key test of the mantle plume hypothesis, and olivine-liquid equilibria provide perhaps the most certain means of estimating mantle temperatures. Here, we review mantle temperature estimates and olivine thermometers, and calculate a new convective geotherm for the upper mantle. The convective geotherm is determined from estimates of sub-midocean ridge (MOR) mantle potential temperatures (T-p is the T the mantle would have if it rose adiabatically without melting, and provides a reference for measuring excess temperatures at volcanic hot spots; T-ex = T-p(hot spot) - T-p(MOR)). The Siqueiros Transform has high MgO glass compositions that have been affected only by olivine fractionation, and yields T-p(Siqueiros) = 1441 +/- 63 degrees C. Most mid-ocean ridge basalts (MORB) have slightly higher FeOliq than at Siqueiros; if Fo(max) (=91.5) and Fe2+-Mg exchange at Siqueiros apply globally, then upper mantle T-p is closer to 1466 +/- 59 degrees C. Since our global MORB database was not filtered for hot spots besides Iceland, Siqueiros may in fact be representative of ambient mantle, so we average these estimates to obtain T-p(MOR) - 1454 +/- 81 degrees C this value is used to calculate T-ex. Global MORB variations in FeOliq indicate that 95% of the sub-MORB mantle has a global T range of +/- 140 degrees C; 68% of this range (1 sigma) exhibits temperature variations of +/- 34 degrees C. Our estimate for T-p(MOR) defines the convective mantle geotherm; this estimate is consistent with T estimates from sea floor bathymetry, and overlaps within 1 sigma estimates derived from phase transitions at the 4 10 km and 670 kin seismic discontinuities. Mantle potential temperatures at Hawaii and Samoa are identical at 1722 degrees C and at Iceland is 1616 degrees C hence T-ex is approximate to 268 degrees C at Hawaii and Samoa and 162 degrees C at Iceland. Furthermore, T-p estimates at Hawaii and Samoa exceed maximum T-p estimates at MORs by > 100 degrees C. Our T-ex estimates agree with estimates based on excess topography and dynamic models of mantle flow and melt generation. Rayleigh number calculations further show that if our values for T-ex extend to depths as small as 135 km, thermally driven, active upwellings will ensue. Hawaii, Samoa and Iceland thus almost assuredly result from thermally driven active upwellings, or mantle plumes. Estimates of T-ex account for generalized differences in H2O contents between ocean islands and MORs, and are robust against variations in CO2, and major element components, and thus cannot be explained away by the presence of volatiles or more fusible source materials. However, our temperature variations at MORs do not account for H2O variations within the MORB source region. (C) 2007 Elsevier B.V. All rights reserved. C1 Calif State Univ Fresno, Dept Earth & Environm Sci, Fresno, CA 93710 USA. Univ Florida, Dept Geol Sci, Gainesville, FL 32611 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. MIT, Woods Hole Oceanog Inst, Joint Program, Woods Hole, MA 02543 USA. RP Putirka, KD (reprint author), Calif State Univ Fresno, Dept Earth & Environm Sci, 2576 E San Ramon Ave,MS-ST24, Fresno, CA 93710 USA. EM kputirka@csufresno.edu; perfit@geology.ufl.edu; ryerson1@Ilnl.gov; mjackson@whoi.edu NR 190 TC 146 Z9 149 U1 5 U2 56 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 J9 CHEM GEOL JI Chem. Geol. PD JUL 15 PY 2007 VL 241 IS 3-4 SI SI BP 177 EP 206 DI 10.1016/j.chemgeo.2007.01.014 PG 30 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 187LH UT WOS:000247848700003 ER PT J AU Murakami, M Sinogeikin, SV Bass, JD Sata, N Ohishi, Y Hirose, K AF Murakami, Motohiko Sinogeikin, Stanislav V. Bass, Jay D. Sata, Nagayoshi Ohishi, Yasuo Hirose, Kei TI Sound velocity of MgSiO3 post-perovskite phase: A constraint on the D" discontinuity SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE MgSiO3 post-perovskite; D" discontinuity; sound velocity; Brillouin scattering; elastic properties; high pressure ID CORE-MANTLE BOUNDARY; EARTHS LOWERMOST MANTLE; EQUATION-OF-STATE; D''-LAYER; SEISMIC ANISOTROPY; POSTPEROVSKITE; DEFORMATION; TRANSITION; ORIGIN AB The discovery of a post-perovskite phase transition in MgSiO3 has significant implications for seismological observations in the D '' region at the bottom of Earth's mantle. The D '' discontinuity, which is manifested as a sharp positive seismic-wave velocity jump 200-300 km above the core-mantle boundary (at pressure of 119 similar to 125 GPa), is one of the most enigmatic seismic features in this region. Whether this velocity increase may be due to the fort-nation of a post-perovskite phase at the D '' discontinuity has not, however, been directly addressed by experiments. Here we present the results of aggregate sound velocity measurements of the MgSiO3 post-perovskite phase by Brillouin spectroscopy in the diamond anvil cell (DAC) up to a pressure of 172 GPa, in combination with infrared laser annealing of the sample. Based on these results and our recent high-pressure velocity measurements on perovskite, the aggregate shear wave velocity contrast across the perovskite to post-perovskite phase transition is at most 0.5%. This contrast is much smaller than typically observed across the D '' discontinuity, indicating that the formation of an isotropic aggregate of the post-perovskite phase provides an insufficient velocity increase to explain the D '' discontinuity. Lattice preferred orientation (LPO) of post-perovskite is likely to be crucial for explaining the D '' discontinuity. (c) 2007 Elsevier FIN. All rights reserved. C1 Okayama Univ, Inst Study Earths Interior, Tottori 6820193, Japan. Argonne Natl Lab, Adv Photon Source, HPCAT, Carnegie Inst Washington, Argonne, IL 60439 USA. Univ Illinois, Dept Geol, Urbana, IL 61801 USA. Japan Agcy Marine Earth Sci & Technol, Inst Res Earth Evolut, Kanagawa 2370061, Japan. Japan Synchrotron Radiat Res Inst, Hyogo 6795198, Japan. Tokyo Inst Technol, Dept Earth & Planetary Sci, Meguro Ku, Tokyo 1528551, Japan. RP Murakami, M (reprint author), Okayama Univ, Inst Study Earths Interior, Yamada 827, Tottori 6820193, Japan. EM mthk@misasa.okayama-u.ac.jp RI Hirose, Kei/C-2165-2009; Murakami, Motohiko/G-2806-2010; Bass, Jay/G-2599-2013 OI Hirose, Kei/0000-0003-4366-7721; NR 38 TC 40 Z9 41 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X EI 1385-013X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD JUL 15 PY 2007 VL 259 IS 1-2 BP 18 EP 23 DI 10.1016/j.epsl.2007.04.015 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 198OP UT WOS:000248637700002 ER PT J AU Grassian, VH Meyer, G Abruna, H Coates, GW Achenie, LE Allison, T Brunschwig, B Ferry, J Garcia-Garibay, M Gardea-Torresdey, J Grey, CP Hutchison, J Li, CJ Liotta, C Ragauskas, A Minteer, S Mueller, K Roberts, J Sadik, O Schmehl, R Schneider, W Selloni, A Stair, P Stewart, J Thorn, D Tyson, J Voelker, B White, JM Wood-Black, F AF Grassian, Vicki H. Meyer, Gerald Abruna, Hector Coates, Geoffrey W. Achenie, Luke Ekem Allison, Tom Brunschwig, Bruce Ferry, John Garcia-Garibay, Miguel Gardea-Torresdey, Jorge Grey, Clare P. Hutchison, James Li, Chao-Jun Liotta, Charles Ragauskas, Arthur Minteer, Shelley Mueller, Karl Roberts, Jeffrey Sadik, Omowunmi Schmehl, Russell Schneider, William Selloni, Annabella Stair, Peter Stewart, Jon Thorn, David Tyson, Julian Voelker, Bettina White, J. Michael Wood-Black, Frankie TI Chemistry for a sustainable future SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Editorial Material ID SCIENCE C1 Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. Univ Iowa, Nanosci & Nanotechnol Inst, Iowa City, IA 52242 USA. Univ Iowa, Dept Chem & Biochem Engn, Iowa City, IA 52242 USA. Univ Iowa, Dept Environm & Occupat Hlth, Iowa City, IA 52242 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Cornell Univ, Ithaca, NY 14853 USA. Univ Connecticut, Storrs, CT 06269 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. CALTECH, Pasadena, CA 91125 USA. Univ S Carolina, Columbia, SC 29208 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Texas, El Paso, TX 79968 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Univ Oregon, Eugene, OR 97403 USA. McGill Univ, Montreal, PQ H3A 2T5, Canada. Georgia Inst Technol, Atlanta, GA 30332 USA. St Louis Univ, St Louis, MO 63103 USA. Penn State Univ, University Pk, PA 16802 USA. Univ Minnesota, Minneapolis, MN 55455 USA. SUNY Binghamton, Binghamton, NY 13902 USA. Tulane Univ, New Orleans, LA 70118 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Princeton Univ, Princeton, NJ 08544 USA. Northwestern Univ, Evanston, IL 60208 USA. Univ Florida, Gainesville, FL 32611 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Massachusetts, Amherst, MA 01003 USA. Colorado Sch Mines, Golden, CO 80401 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Texas, Austin, TX 78712 USA. Conoco Phillips, Houston, TX USA. RP Grassian, VH (reprint author), Univ Iowa, Dept Chem, Iowa City, IA 52242 USA. EM vicki-grassian@uiowa.edu RI Minteer, Shelley/A-7711-2009; Mueller, Karl/A-3637-2010; Schmehl, Russell/D-2558-2011; Minteer, Shelley/C-4751-2014; OI Minteer, Shelley/0000-0002-5788-2249; Ferry, John/0000-0002-1420-8406 NR 13 TC 15 Z9 16 U1 1 U2 18 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 2007 VL 41 IS 14 BP 4840 EP 4846 DI 10.1021/es0725798 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 194SC UT WOS:000248363100007 PM 17711191 ER PT J AU Werner, ML Nico, PS Marcus, MA Anastasio, C AF Werner, Michelle L. Nico, Peter S. Marcus, Matthew A. Anastasio, Cort TI Use of micro-XANES to speciate chromium in airborne fine particles in the Sacramento Valley SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HEXAVALENT CHROMIUM; PARTICULATE MATTER; SIZE DISTRIBUTION; SERPENTINE SOILS; METALS; CARCINOGENICITY; GEOCHEMISTRY; CALIFORNIA; EMISSIONS; TOXICITY AB While particulate matter (PM) in the atmosphere can lead to a wide array of negative health effects, the cause of toxicity is largely unknown. One aspect of PM that likely affects health is the chemical composition, in particular the transition metals within the particles. Chromium is one transition metal of interest due to its two major oxidation states, with Cr(III)being much less toxic compared to Cr(VI). Using microfocused X-ray absorption near edge structure (micro-XANES), we analyzed the Cr speciation in fine particles (diameters <= 2.5 mu m) collected at three sites in the Sacramento Valley of northern California. The microfocused X-ray beam enables us to look at very small areas on the filter with a resolution of typically 5-7 micrometers. With XANES we are able to not only distinguish between Cr(VI) and Cr(III), but also to identify different types of Cr(III) and more reduced Cr species. At all of our sampling sites the main Cr species were Cr(III), with Cr-(OH)(3) or a Cr-Fe, chromite-like, phase being the dominant species. Cr(VI)-containing particles were found only in the most urban-site. All three sites contained some reduced Cr species, either Cr(0) or Cr3C2, although these were minor components. This work demonstrates that micro-XANES can be used as a minimally invasive analytical tool to investigate the composition of ambient PM. C1 Univ Calif Davis, Dept Land Air & Water Resources, Davis, CA 95616 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Anastasio, C (reprint author), Univ Calif Davis, Dept Land Air & Water Resources, 1 Shields Ave, Davis, CA 95616 USA. EM canastasio@ucdavis.edu RI Nico, Peter/F-6997-2010 OI Nico, Peter/0000-0002-4180-9397 FU NIEHS NIH HHS [5 P42 ES04699] NR 31 TC 26 Z9 28 U1 0 U2 10 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 2007 VL 41 IS 14 BP 4919 EP 4924 DI 10.1021/es070430q PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 194SC UT WOS:000248363100019 PM 17711203 ER PT J AU Yantasee, W Warner, CL Sangvanich, T Addleman, RS Carter, TG Wiacek, RJ Fryxell, GE Timchalk, C Warner, MG AF Yantasee, Wassana Warner, Cynthia L. Sangvanich, Thanapon Addleman, R. Shane Carter, Timothy G. Wiacek, Robert J. Fryxell, Glen E. Timchalk, Charles Warner, Marvin G. TI Removal of heavy metals from aqueous systems with thiol functionalized superparamagnetic nanoparticles SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; MESOPOROUS SUPPORTS SAMMS; MAGNETIC NANOPARTICLES; SPECIATION; ADSORPTION; SEPARATION; LIGANDS; BINDING; CELLS; ACIDS AB We have shown that superparamagnetic iron oxide (Fe3O4) nanoparticles with a surface functionalization of dimercaptosuccinic acid (DMSA) are an effective sorbent material for toxic soft metals such as Hg, Ag, Pb, Cd, and Tl, which effectively bind to the DMSA ligands and for As,which binds to the iron oxide lattices. The nanoparticles are highly dispersible and stable in solutions, have a large surface area (114 m(2)/g), and have a high functional group content (1.8 mmol thiols/g). They are attracted to a magnetic field and can be separated from solution within a minute with a 1.2 T magnet. The chemical affinity, capacity, kinetics, and stability of the magnetic nanoparticles were compared to those of conventional resin based sorbents (GT-73), activated carbon, and nanoporous silica (SAMMS) of similar surface chemistries in river water, groundwater, seawater, and human blood and plasma. DMSAFe(3)O(4) had a capacity of 227 mg of Hg/g, a 30-fold larger value than GT-73. The nanoparticles removed 99 wt % of 1 mg/L Pb within a minute, while it took over 10 and 120 min for Chelex-100 and GT-73 to remove 96% of Pb. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Chulalongkorn Univ, Dept Chem Engn, Bangkok, Thailand. Univ Oregon, Dept Chem, Eugene, OR 97403 USA. RP Yantasee, W (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM wassana.yantasee@pnl.gov; marvin.warner@pnl.gov FU NIOSH CDC HHS [1R21 OH008900-01] NR 34 TC 318 Z9 327 U1 44 U2 342 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 2007 VL 41 IS 14 BP 5114 EP 5119 DI 10.1021/es0705238 PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 194SC UT WOS:000248363100048 PM 17711232 ER PT J AU Gaffney, AM Borg, LE Asmerom, Y AF Gaffney, Amy M. Borg, Lars E. Asmerom, Yemane TI The origin of geochemical diversity of lunar mantle sources inferred from the combined U-Pb, Rb-Sr, and Sm-Nd isotope systematics of mare basalt 10017 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID TH-PB; NEUTRON STRATIGRAPHY; LOW U/PB; EVOLUTION; BASALTS; MOON; DIFFERENTIATION; CONSTRAINTS; STRONTIUM; AGES AB The results of our combined U-Pb, Rb-Sr, and Sm-Nd isotope study of mare basalt 100 17 contribute to the understanding of the petrogenetic processes involved in the origin of geochemical diversity in lunar mare basalt sources, as well as the U-Pb isotope systematics of the Moon. The Rb-Sr, Sm-Nd, and U-238-Pb-206 isotope systems yield concordant crystallization ages of 3.633 +/- 0.057 Ga, 3.678 +/- 0.069 Ga, and 3.616 +/- 0.098 Ga, respectively. The U-235-Pb-207 isochron yields an older, though still concordant, age of 3.80 +/- 0.12 Ga. Neither the Pb-206-Pb-207 system nor U-Pb concordia system yields an age for 10017 that is concordant with the age determined from the Sm-Nd, Rb-Sr, and U-238-Pb-206 systems. The initial Sr-87/Sr-86 of 10017 is 0.69941 +/- 7 and the initial epsilon(Nd) is +3.2 +/- 0.4. Initial Pb isotopic compositions, determined from the U-Pb isochrons, are Pb-206/(204)Pbi=31 +/- 11 and Pb-207/(204)Pbi 34 +/- 15. Together, these initial Ph compositions constrain the mu value of the 10017 source to be 70 30, assuming a single-stage Pb growth model. This is considerably lower than mu values typically estimated for mare basalt sources (similar to 100-600). Regardless, the mu values calculated for the sources of mare basalts, as well as other lunar samples, show a range that is larger than can be explained by fractionation of U from Pb solely by crystallization of silicate phases and ilmenite during magma ocean solidification and formation of lunar mantle sources. The U-Pb isotope systematics may reflect late-stage formation of a sulfide phase, which strongly fractionates Pb from U but has minimal effect on Rb/Sr or Sm/Nd compositions, during crystallization of the lunar magma ocean. (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. Univ New Mexico, Dept Earth & Planetary Sci, Albuquerque, NM 87131 USA. RP Gaffney, AM (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Direct, 7000 E Ave,L-231, Livermore, CA 94550 USA. EM gaffney1@llnl.gov RI Gaffney, Amy/F-8423-2014 OI Gaffney, Amy/0000-0001-5714-0029 NR 67 TC 9 Z9 9 U1 2 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 15 PY 2007 VL 71 IS 14 BP 3656 EP 3671 DI 10.1016/j.gca.2007.05.005 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 192GN UT WOS:000248188900019 ER PT J AU Ahn, KS Deutsch, T Yan, Y Jiang, CS Perkins, CL Turner, J Al-Jassim, M AF Ahn, Kwang-Soon Deutsch, Todd Yan, Yanfa Jiang, Chun-Sheng Perkins, Craig L. Turner, John Al-Jassim, Mowafak TI Synthesis of band-gap-reduced p-type ZnO films by Cu incorporation SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DOPED ZNO; SEMICONDUCTOR ELECTRODES; OPTICAL-PROPERTIES; THIN-FILMS; WATER; PHOTOCATALYSIS; SPECTROSCOPY; CELLS AB p-type ZnO thin films with significantly reduced band gaps were synthesized by heavy Cu incorporation at room temperature and followed by postdeposition annealing at 500 degrees C in air for 2 h. All the films were synthesized by rf magnetron sputtering on F-doped tin oxide-coated glass. The p-type conductivity was confirmed by Mott-Schottky plots and illuminated I-V analysis. The Cu+1 acceptor states (at substitutional sites) and their band-gap reduction were demonstrated by UV-visible absorption and x-ray excited valence band measurements. (C) 2007 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ahn, KS (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM kwang-soon_ahn@nrel.gov RI jiang, chun-sheng/F-7839-2012; OI Deutsch, Todd/0000-0001-6577-1226 NR 27 TC 62 Z9 67 U1 3 U2 73 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 2007 VL 102 IS 2 AR 023517 DI 10.1063/1.2756517 PG 6 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100035 ER PT J AU Bharatan, S Iyer, S Nunna, K Collis, WJ Matney, K Reppert, J Rao, AM Kent, PRC AF Bharatan, S. Iyer, S. Nunna, K. Collis, W. J. Matney, K. Reppert, J. Rao, A. M. Kent, P. R. C. TI The effects of annealing on the structural, optical, and vibrational properties of lattice-matched GaAsSbN/GaAs grown by molecular beam epitaxy SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SINGLE QUANTUM-WELLS; X-RAY; PHOTOLUMINESCENCE; LOCALIZATION; TEMPERATURE; LAYER; GAAS; GAP AB The structural, optical, and vibrational properties of a GaAsSbN epilayer lattice matched to GaAs with a band gap of 1 eV have been investigated using a variety of characterization techniques. These layers have potential applications in GaAs based tandem solar cells that utilize the near infrared region of the solar spectrum. The epilayers were grown in an elemental solid source molecular beam epitaxy system with a rf plasma nitrogen source. The Sb and N compositions of the nearly lattice-matched layers are 6.8% and 2.6%, respectively, as determined by high resolution x-ray diffraction and secondary ion mass spectroscopy (SIMS) analysis. The high crystalline quality of the layers is attested by the presence of well resolved Pendellosung fringes on a triple axis (004) x-ray scan and dynamical truncation rods observed on the corresponding (004) reciprocal space map. The effects of in situ annealing in As ambient and ex situ annealing in N ambient on the low temperature photoluminescence (PL) characteristics are discussed. Ex situ (in situ) annealed samples display an 8 K PL peak energy of 1 eV with a full width at half maximum of 18 meV (26 meV). Raman spectral analysis, the temperature dependence of the PL peak energy, and SIMS profiles indicate that outdiffusions of N and As are suppressed in the in situ annealed samples and improvement in Ga-N bonding is observed, leading to higher PL intensities in these samples. In addition, indirect evidence of atomic scale ordering has been observed. The stability of these structures appears to be dependent on the annealing conditions. (c) 2007 American Institute of Physics. C1 N Carolina Agr & Tech State Univ, Dept Elect & Comp Engn, Greensboro, NC 27411 USA. Bede Sci Inc, Englewood, CO 80112 USA. Clemson Univ, Dept Phys & Astron, Clemson, SC 29634 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Iyer, S (reprint author), N Carolina Agr & Tech State Univ, Dept Elect & Comp Engn, Greensboro, NC 27411 USA. EM iyer@ncat.edu RI Kent, Paul/A-6756-2008 OI Kent, Paul/0000-0001-5539-4017 NR 26 TC 5 Z9 5 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023503 DI 10.1063/1.2753681 PG 9 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100021 ER PT J AU Cobble, JA Tierney, TE Abdallah, J AF Cobble, J. A. Tierney, T. E. Abdallah, J., Jr. TI Kilovolt radiation from a laser-produced Al plasma SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID NATIONAL IGNITION FACILITY; BERYLLIUM CAPSULES; RAY; FUSION AB We have characterized kilo-electron-volt (keV) emission from Al plasmas for various laser illuminations at the OMEGA laser with the goal of optimizing the ability to backlight low-atomic-number materials such as beryllium for fusion ignition studies. The plasma is diagnosed by spectral-measurement comparisons to detailed theoretical atomic physics models. It is found that a significant fraction of the radiation is due to the x-ray continuum, that the electron temperature T-e depends weakly on laser energy and power, and that the conversion efficiency to Lyman alpha (L-alpha, the N=2 -> 1 transition in H-like Al) at 1.73 keV is reduced as laser energy is increased. As the number of beams is increased, the extra laser energy goes into a larger, higher-density plasma in which He-like and H-like ions are more effectively ionized. (c) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Cobble, JA (reprint author), Los Alamos Natl Lab, E526, Los Alamos, NM 87545 USA. EM cobble@lanl.gov NR 19 TC 7 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023303 DI 10.1063/1.2745246 PG 6 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100015 ER PT J AU Edmonds, KW Freeman, AA Farley, NRS Wang, KY Campion, RP Gallagher, BL Foxon, CT van der Laan, G Arenholz, E AF Edmonds, K. W. Freeman, A. A. Farley, N. R. S. Wang, K. Y. Campion, R. P. Gallagher, B. L. Foxon, C. T. van der Laan, G. Arenholz, E. TI Secondary magnetic phases in (Ga,Mn)As determined by x-ray magnetic circular dichroism SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ABSORPTION-SPECTRA; GAMNAS FILMS; MN AB We have studied the magnetic and electronic properties of (Ga,Mn)As ferromagnetic semiconductor layers containing low concentrations of room temperature magnetic MnAs precipitates, using x-ray magnetic circular dichroism in x-ray absorption spectroscopy. Measurements below and above the Curie temperature of the (Ga,Mn)As show localized multiplet structures and broad metallic-like line shapes, respectively. By applying magnetic fields below the coercivity of the (Ga,Mn)As layer, the magnetization reversal behavior of the ferromagnetic semiconductor and the MnAs precipitates can be resolved and are found to be independent of each other. C1 Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. STFC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Edmonds, KW (reprint author), Univ Nottingham, Sch Phys & Astron, Univ Pk, Nottingham NG7 2RD, England. EM kevin.edmonds@nottingham.ac.uk RI van der Laan, Gerrit/Q-1662-2015; Gallagher, Bryan/B-8116-2013; OI van der Laan, Gerrit/0000-0001-6852-2495; Edmonds, Kevin/0000-0002-9793-4170; Gallagher, Bryan/0000-0001-8310-0899; Campion, Richard/0000-0001-8990-8987 NR 21 TC 8 Z9 8 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023902 DI 10.1063/1.2756046 PG 4 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100060 ER PT J AU Lau, JW McMichael, RD Schofield, MA Zhu, Y AF Lau, J. W. McMichael, R. D. Schofield, M. A. Zhu, Y. TI Correlation of edge roughness to nucleation field and nucleation field distribution in patterned Permalloy elements SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MEDIA; MEMORIES; REVERSAL; JUNCTION; ISLANDS AB The effects of edge roughness on vortex nucleation field and its distribution are measured in Permalloy nanostructured arrays. Teardrop-shaped elements, 250 nm wide and 30 nm thick, were fabricated using electron beam lithography and lift-off. Roughness variations were created by varying the electron dose during patterning, and measured by analysis of in-focus transmission electron microscopy (TEM) images. In situ measurements of the vortex nucleation fields and the nucleation field distributions of the dose arrays were performed with Lorentz mode TEM. In combining the measurements of edge roughness with measurements of nucleation field and its distribution, we show that edge roughness increases the probability for vortex nucleation and thus permits vortices to nucleate at larger applied fields, but at the same time, edge roughness broadens the nucleation-field distribution in magnetic nanostructured arrays. C1 Natl Inst Stand & Technol, Div Met, Gaithersburg, MD 20899 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Lau, JW (reprint author), Natl Inst Stand & Technol, Div Met, Gaithersburg, MD 20899 USA. EM june.lau@nist.gov RI McMichael, Robert/J-8688-2012; Lau, June/C-7509-2013; OI McMichael, Robert/0000-0002-1372-664X NR 31 TC 9 Z9 9 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023916 DI 10.1063/1.2761850 PG 4 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100074 ER PT J AU Martin, LP Patterson, JR Orlikowski, D Nguyen, JH AF Martin, L. Peter Patterson, J. Reed Orlikowski, Daniel Nguyen, Jeffrey H. TI Application of tape-cast graded impedance impactors for light-gas gun experiments SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ISENTROPIC COMPRESSION; FABRICATION; ELASTICITY; COMPOSITE; DENSITY; POWDERS; SURFACE; COPPER AB Fabrication of compositionally graded structures for use as light-gas gun impactors has been demonstrated using a tape casting technique. Mixtures of metal powders in the Mg-Cu system were cast into a series of 19 tapes with uniform compositions ranging from 100% Mg to 100% Cu. The individual compositions were fabricated into monolithic pellets for characterization of microstructure, density, and sound wave velocity. Graded impactors were fabricated by stacking layers of different compositions in a sequence calculated to yield a tailored acoustic impedance profile, and were characterized by ultrasonic C-scan and white light interferometry. The graded impactors were launched into stationary Al targets using a two-stage light-gas gun, and the resulting wave profiles were measured with either VISAR or Photonic Doppler Velocimetry. For an impactor using only seven compositions ranging from Mg to Cu, the composition steps are visible in the wave profiles. An impactor utilizing the full series of 19 compositions produces smoother compression with no visible manifestation of the discrete-layer structure. Hydrodynamic simulations of these impactors also suggest smooth compression profiles within the impactor. (c) 2007 American Institute of Physics. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Martin, LP (reprint author), Lawrence Livermore Natl Lab, Mail Code L-353,POB 808, Livermore, CA 94551 USA. EM martin89@llnl.gov NR 39 TC 13 Z9 18 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023507 DI 10.1063/1.2756058 PG 10 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100025 ER PT J AU Melnichenko, YB Wignall, GD AF Melnichenko, Yuri B. Wignall, George D. TI Small-angle neutron scattering in materials science: Recent practical applications SO JOURNAL OF APPLIED PHYSICS LA English DT Review ID CARBON-DIOXIDE MICROEMULSIONS; X-RAY-SCATTERING; AMPHIPHILIC BLOCK-COPOLYMERS; POLY(VINYL ALCOHOL) GELS; ELECTROLYTE FUEL-CELLS; PARAFFIN WAX GELS; PHASE-SEPARATION; PHOSPHATE FLUOROSURFACTANTS; STRUCTURAL-CHARACTERIZATION; POLY(METHYL METHACRYLATE) AB Modern materials science and engineering relies increasingly on detailed knowledge of the structure and interactions in "soft" and "hard" materials, but there have been surprisingly few microscopic techniques for probing the structures of bulk samples of these substances. Small-angle neutron scattering (SANS) was first recognized in Europe as a major technique for this purpose and, over the past several decades, has been a growth area in both academic and industrial materials research to provide structural information on length scales similar to 10-1000 A (or 1-100 nm). The technique of ultrahigh resolution small-angle neutron scattering (USANS) raises the upper resolution limit for structural studies by more than two orders of magnitude and (up to similar to 30 mu m) and hence overlaps with light scattering and microscopy. This review illustrates the ongoing vitality of SANS and USANS in materials research via a range of current practical applications from both soft and hard matter nanostructured systems. C1 Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Melnichenko, YB (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM yui@ornl.gov OI Wignall, George/0000-0002-3876-3244 NR 168 TC 27 Z9 27 U1 3 U2 47 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 021101 DI 10.1063/1.2759200 PG 24 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100001 ER PT J AU Slotte, J Gonzalez-Debs, M Kuech, TF Cederberg, JG AF Slotte, J. Gonzalez-Debs, M. Kuech, T. F. Cederberg, J. G. TI Influence of substrate doping and point defects on Al and Ga interdiffusion in AlSb/GaSb superlattice structures SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID COMPOUND SEMICONDUCTORS; SELF-DIFFUSION; ANTIMONIDE; GALLIUM AB Positron annihilation spectroscopy has been used to investigate the role of vacancies in the interdiffusion of Al and Ga in AlSb/GaSb superlattices. The samples were grown by metalorganic vapor-phase epitaxy on undoped and Te doped GaSb and consisted of ten periods of GaSb quantum wells (thickness 13 nm) and AlSb barriers (thickness 2-3 nm) and an approximately 50 nm thick capping layer of GaSb. The superlattices were annealed at 908 K for up to 250 s, resulting in interdiffusion of Al and Ga between well and barrier. A secondary ion mass spectrometry study showed that the Te dopant diffused from the substrate through the superlattice structure in the annealing process. In the positron annihilation study we observe that the vacancy concentration clearly decreases with annealing for the samples grown on undoped substrates, whereas the samples grown on Te doped substrates show a different annealing behavior. (C) 2007 American Institute of Physics. C1 Helsinki Univ Technol, Phys Lab, FIN-02015 Espoo, Finland. Univ Wisconsin, Dept Biol & Chem Engn, Madison, WI 53706 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Slotte, J (reprint author), Helsinki Univ Technol, Phys Lab, POB 1100, FIN-02015 Espoo, Finland. EM jonatan.slotte@hut.fi RI Slotte, Jonatan/G-5750-2011; Gonzalez Debs, Mariam/B-6494-2014 OI Gonzalez Debs, Mariam/0000-0002-8250-4506 NR 16 TC 1 Z9 1 U1 2 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 023511 DI 10.1063/1.2743883 PG 4 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100029 ER PT J AU Wang, CQ Jones, RL Lin, EK Wu, WL Rice, BJ Choi, KW Thompson, G Weigand, SJ Keane, DT AF Wang, Chengqing Jones, Ronald L. Lin, Eric K. Wu, Wen-Li Rice, Bryan J. Choi, Kwang-Woo Thompson, George Weigand, Steven J. Keane, Denis T. TI Characterization of correlated line edge roughness of nanoscale line gratings using small angle x-ray scattering SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CROSS-SECTION; METROLOGY AB To meet the challenges in dimensional metrology as the minimum feature size in semiconductor devices approaches sub-35 nm length scales, we have been developing a nondestructive method using x rays termed critical dimension small angle x-ray scattering (SAXS). Its capacity to quantify the dimension of linewidth, pitch, line height, and sidewall angle of line gratings has been demonstrated. In this work, we have further extended its capabilities to quantify the correlated line-edge roughness (LER) and linewidth roughness (LWR). Model line grating patterns with controlled LER and LWR were prepared and measured using x ray, their results were analyzed with model calculations. The magnitude of LER/LWR deduced from x-ray results compares favorably with the scanning electron microscopy results obtained from the same samples. An apparent Debye-Waller factor, which can be deduced from the SAXS data without any detailed model-based calculations, is found to be a convenient parameter to quantify the amplitude of LER/LWR. C1 NIST, Div Polymers, Gaithersburg, MD 20899 USA. Intel Corp, Hillsboro, OR 97124 USA. Intel Corp, Santa Clara, CA 95054 USA. Argonne Natl Lab, Adv Photon Source, DND CAT, Argonne, IL 60439 USA. RP Wu, WL (reprint author), NIST, Div Polymers, 100 Bur Dr, Gaithersburg, MD 20899 USA. EM wenli@nist.gov NR 10 TC 22 Z9 22 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 15 PY 2007 VL 102 IS 2 AR 024901 DI 10.1063/1.2753588 PG 6 WC Physics, Applied SC Physics GA 196MD UT WOS:000248485100118 ER PT J AU Crawford, TD Sherrill, CD Valeev, EF Fermann, JT King, RA Leininger, ML Brown, ST Janssen, CL Seidl, ET Kenny, JP Allen, WD AF Crawford, T. Daniel Sherrill, C. David Valeev, Edward F. Fermann, Justin T. King, Rollin A. Leininger, Matthew L. Brown, Shawn T. Janssen, Curtis L. Seidl, Edward T. Kenny, Joseph P. Allen, Wesley D. TI PS13: An open-source ab initio electronic structure package SO JOURNAL OF COMPUTATIONAL CHEMISTRY LA English DT Article DE quantum chemistry; electronic structure; coupled cluster theory; multireference configuration interaction; computational chemistry ID FULL CONFIGURATION-INTERACTION; COUPLED-CLUSTER SINGLES; MANY-BODY METHODS; PRODUCT DECOMPOSITION APPROACH; CONSISTENT WAVE-FUNCTIONS; POTENTIAL-ENERGY CURVES; SPIN-FLIP APPROACH; BOND-BREAKING; PERTURBATION-THEORY; OPTICAL-ROTATION AB PSI3 is a program system and development platform for ab initio molecular electronic structure computations. The package includes mature programming interfaces for parsing user input, accessing commonly used data such as basis-set information or molecular orbital coefficients, and retrieving and storing binary data (with no software limitations on file sizes or file-system-sizes), especially multi-index quantities such as electron repulsion integrals. This platform is useful for the rapid implementation of both standard quantum chemical methods, as well as the development of new models. Features that have already been implemented include Hartree-Fock, multiconfigurational self-consistent-field, second-order Moller-Plesset perturbation theory, coupled cluster, and configuration interaction wave functions. Distinctive capabilities include the ability to employ Gaussian basis functions with arbitrary angular momentum levels; linear R12 second-order perturbation theory; coupled cluster frequency-dependent response properties, including dipole polarizabilities and optical rotation; and diagonal Born-Oppenheimer corrections with correlated wave functions. This article describes the programming infrastructure and main features of the package. PSI3 is available free of charge through the open-source, GNU General Public License. (C) 2007 Wiley Periodicals, Inc. C1 Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA. Georgia Inst Technol, Sch Chem & Biochem, Ctr Computat Mol Sci & Technol, Atlanta, GA 30332 USA. Univ Massachusetts, Dept Chem, Amherst, MA 01002 USA. Bethel Univ, Dept Chem, St Paul, MN 55112 USA. Sandia Natl Labs, Livermore, CA 94551 USA. Pittsburgh Supercomp Ctr, Pittsburgh, PA 15213 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Georgia, Dept Chem, Athens, GA 30602 USA. Univ Georgia, Ctr Computat Chem, Athens, GA 30602 USA. RP Crawford, TD (reprint author), Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA. EM crawdad@vt.edu; sherrill@chemistry.gatech.edu; valeev@vt.edu RI Allen, Wesley/C-9867-2010; Valeyev, Eduard/A-5313-2009; Crawford, Thomas/A-9271-2017 OI Allen, Wesley/0000-0002-4288-2297; Valeyev, Eduard/0000-0001-9923-6256; Crawford, Thomas/0000-0002-7961-7016 NR 79 TC 234 Z9 234 U1 0 U2 17 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0192-8651 J9 J COMPUT CHEM JI J. Comput. Chem. PD JUL 15 PY 2007 VL 28 IS 9 BP 1610 EP 1616 DI 10.1002/jcc.20573 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 169EM UT WOS:000246575500015 PM 17420978 ER PT J AU Weyher, JL Lazar, S Macht, L Liliental-Weber, Z Molnar, RJ Muller, S Sivel, VGM Nowak, G Grzegory, I AF Weyher, J. L. Lazar, S. Macht, L. Liliental-Weber, Z. Molnar, R. J. Mueller, S. Sivel, V. G. M. Nowak, G. Grzegory, I. TI Orthodox etching of HVPE-grown GaN SO JOURNAL OF CRYSTAL GROWTH LA English DT Article; Proceedings Paper CT 4th International Workshop on Bulk Nitride Semiconductors CY OCT 17-22, 2006 CL Makino, JAPAN DE defects; etching; nitrides ID TRANSMISSION ELECTRON-MICROSCOPY; ATOMIC-FORCE MICROSCOPY; PLAN-VIEW IMAGE; COMPLEMENTARY METHODS; THREADING DISLOCATIONS; EPITAXIAL LAYERS; GALLIUM NITRIDE; DEFECTS; SEMICONDUCTORS; NANOPIPES AB Orthodox etching of HVPE-grown GaN in molten eutectic of KOH+ NaOH (E etch) and in hot sulfuric and phosphoric acids (HH etch) is discussed in detail. Three size grades of pits are formed by the preferential E etching at the outcrops of threading dislocations on the Ga-polar surface of GaN. Using transmission electron microscopy (TEM) as the calibration tool, it is shown that the largest pits are formed on screw, intermediate on mixed and the smallest on edge dislocations. This sequence of size does not follow the sequence of the Burgers values (and thus the magnitude of the elastic energy) of corresponding dislocations. This discrepancy is explained taking into account the effect of decoration of dislocations, the degree of which is expected to be different depending on the lattice deformation around the dislocations, i.e. on the edge component of the Burgers vector. It is argued that the large scatter of optimal etching temperatures required for revealing all three types of dislocations in HVPE-grown samples from different sources also depends upon the energetic status of dislocations. The role of kinetics for reliability of etching in both etches is discussed and the way of optimization of the etching parameters is shown. (c) 2007 Elsevier B.V. All rights reserved. C1 Radboud Univ Nijemegen, NL-6525 ED Nijmegen, Netherlands. Polish Acad Sci, High Pressure Res Ctr, PL-01142 Warsaw, Poland. Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. MIT, Lincoln Lab, Lexington, MA 02420 USA. FhG IAF, D-79108 Freiberg, Germany. RP Weyher, JL (reprint author), Radboud Univ Nijemegen, Toernooiveld 1, NL-6525 ED Nijmegen, Netherlands. EM J.Weyher@science.ru.nl RI Liliental-Weber, Zuzanna/H-8006-2012 NR 35 TC 61 Z9 62 U1 2 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD JUL 15 PY 2007 VL 305 IS 2 BP 384 EP 392 DI 10.1016/j.jcrysgro.2007.03.030 PG 9 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 195SJ UT WOS:000248431700014 ER PT J AU Simon, H Meister, M Aumann, T Borge, MJG Chulkov, LV Pramanik, UD Elze, TW Emling, H Forssen, C Geissel, H Hellstrom, M Jonson, B Kratz, J Kulessa, R Leifels, Y Markenroth, K Munzenberg, G Nickel, F Nilsson, T Nyman, G Richter, A Riisager, K Scheidenberger, C Schrieder, G Tengblad, O Zhukov, MV AF Simon, H. Meister, M. Aumann, T. Borge, M. J. G. Chulkov, L. V. Pramanik, U. Datta Elze, Th. W. Emling, H. Forssen, C. Geissel, H. Hellstroem, M. Jonson, B. Kratz, Jx Kulessa, R. Leifels, Y. Markenroth, K. Muenzenberg, G. Nickel, F. Nilsson, T. Nyman, G. Richter, A. Riisager, K. Scheidenberger, C. Schrieder, G. Tengblad, O. Zhukov, M. V. TI Systematic investigation of the drip-line nuclei Li-11 and Be-14 and their unbound subsystems Li-10 and Be-13 SO NUCLEAR PHYSICS A LA English DT Article ID REACTION CROSS-SECTIONS; N=8 SHELL CLOSURE; HALO NUCLEI; FRAGMENTATION REACTIONS; MOMENTUM DISTRIBUTIONS; EXCITED-STATES; CLUSTER MODEL; ENERGY-LEVELS; GROUND-STATE; HE-6 AB Fragmentation reactions in a carbon target with beams of Li-11 and Be-14 at relativistic energies have been studied in a kinematically complete experiment at the ALADIN-LAND setup at GSI. Excited states in Li-11 and Be-14 were obtained from the data in the inelastic channel. The measured cross sections with the core nucleus in the final state show that in the Be-14 case core polarization plays an important role. In the one-neutron knockout channels the measured angular correlations between fragment and neutron are asymmetric, which demonstrates the presence of states with different parities in the Li-11 and Be-14 ground states. For Li-10 a low-lying virtual s-state, a p-state and evidence for a d-state could be extracted from the data, while the Be-12 + n system shows resonances with more complicated structure. (C) 2007 Elsevier B.V. All rights reserved. C1 GSI Darmstadt, D-64291 Darmstadt, Germany. Tech Univ, Inst Kernphys, D-64289 Darmstadt, Germany. Chalmers Tek Hogskola, S-41296 Gothenburg, Sweden. Johannes Gutenberg Univ Mainz, Inst Kernchem, D-55099 Mainz, Germany. CSIC, Inst Estructura Mat, E-28006 Madrid, Spain. Kurchatov Inst, RU-123182 Moscow, Russia. Saha Inst Nucl Phys, Kolkata 700009, W Bengal, India. Goethe Univ Frankfurt, Inst Kernphys, D-60486 Frankfurt, Germany. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland. Aarhus Univ, Inst Fys Astron, DK-8000 Aarhus, Denmark. RP Simon, H (reprint author), GSI Darmstadt, Plackstr 1, D-64291 Darmstadt, Germany. EM h.simon@gsi.de RI Forssen, Christian/C-6093-2008; Markenroth Bloch, Karin/G-9542-2012; Nilsson, Thomas/B-7705-2009; Aumann, Thomas/B-1455-2012; Jonson, Bjorn/B-2816-2014; Tengblad, Olof/O-5852-2015; Datta, Ushasi/B-9032-2015 OI Forssen, Christian/0000-0003-3458-0480; Markenroth Bloch, Karin/0000-0002-3310-6667; Nilsson, Thomas/0000-0002-6990-947X; Datta, Ushasi/0000-0001-8192-1407 NR 85 TC 74 Z9 75 U1 0 U2 8 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 2007 VL 791 IS 3-4 BP 267 EP 302 DI 10.1016/j.nuclphysa.2007.04.021 PG 36 WC Physics, Nuclear SC Physics GA 206BJ UT WOS:000249158600001 ER PT J AU La Tessa, C Sihver, L Zeitlin, C Miller, J Guetersloh, S Heilbronn, L Mancusi, D Iwata, Y Murakami, T AF La Tessa, C. Sihver, L. Zeitlin, C. Miller, J. Guetersloh, S. Heilbronn, L. Mancusi, D. Iwata, Y. Murakami, T. TI Test of weak and strong factorization in nucleus-nucleus collisions at several hundred MeV/nucleon SO NUCLEAR PHYSICS A LA English DT Article DE projectile charge-changing cross section; heavy ions; weak factorization; strong factorization ID FRAGMENTATION CROSS-SECTIONS; TARGETS; FE-56; IONS AB Projectile total and partial charge-changing cross sections have been measured for argon ions at 400 MeV/nucleon in carbon, aluminum, copper, tin and lead targets; cross sections for hydrogen were also obtained using a polyethylene target. The validity of weak and strong factorization properties has been investigated for partial charge-changing cross sections; measurements obtained for carbon, neon and silicon beams at 290 and 400 MeV/nucleon and iron beam at 400 MeV/nucleon, in carbon, aluminum, copper, tin and lead targets have also been used for the test. Two different analysis methods were applied and both indicated that these properties are valid, without any significant difference between weak and strong factorization. The factorization parameters have then been calculated and analyzed in order to find some systematic behavior useful for modeling purposes. (C) 2007 Elsevier B.V. All rights reserved. C1 Chalmers, S-41296 Gothenburg, Sweden. Roanoke Coll, Dept Math Comp Sci & Phys, Salem, VA 24153 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Natl Inst Radiol Sci, Div Accelerator Phys & Engn, Chiba 260, Japan. RP La Tessa, C (reprint author), Chalmers, S-41296 Gothenburg, Sweden. EM chiara@nephy.chalmers.se RI Heilbronn, Lawrence/J-6998-2013; OI Heilbronn, Lawrence/0000-0002-8226-1057; Mancusi, Davide/0000-0002-2518-8228 NR 16 TC 8 Z9 8 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD JUL 15 PY 2007 VL 791 IS 3-4 BP 434 EP 450 DI 10.1016/j.nuclphysa.2007.04.016 PG 17 WC Physics, Nuclear SC Physics GA 206BJ UT WOS:000249158600011 ER PT J AU La Tessa, C Sihver, L Mancusi, D Zeitlin, C Miller, J Guetersloh, S Heilbronn, L AF La Tessa, C. Sihver, L. Mancusi, D. Zeitlin, C. Miller, J. Guetersloh, S. Heilbronn, L. TI Weak and strong factorization properties in nucleus-nucleus collisions in the energy region 290-2100 MeV/nucleon SO NUCLEAR PHYSICS A LA English DT Article DE projectile charge-changing cross section; heavy ions; weak factorization; strong factorization ID FRAGMENTATION CROSS-SECTIONS; TARGETS; LIGHT AB We have collected from the literature partial charge-changing cross sections for projectiles with charge 6 <= Z <= 26, energy ranging from 290 up to 2 100 MeV/nucleon and interacting with several targets, in order to investigate weak and strong factorization properties. The same analysis methods as in our previous work have been applied to the data: we have shown that, except for hydrogen targets, weak and strong factorization properties are valid within 5%, thus confirming the results obtained in the first paper [C. La Tessa, et al., Test of weak and strong factorization in nucleus-nucleus collisions at several hundred MeV/nucleon, Nucl. Phys. A, in press]. Factorization parameters have been calculated and, in particular, target factors have been expressed with ad hoc analytical functions which describe the data trend very well. New expressions for weak and strong factorization properties can then be obtained by substituting the target factors with these functions: this formulation partially isolates the dependence of the partial charge-changing cross sections on the target and projectile mass numbers; moreover, fragment factors are the only parameters left in the formulas thus facilitating the future task of interpolating them with appropriate analytical expressions. (C) 2007 Elsevier B.V. All rights reserved. C1 Chalmers, S-41296 Gothenburg, Sweden. Roanoke Coll, Dept Math Comp Sci & Phys, Salem, VA 24153 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP La Tessa, C (reprint author), Chalmers, S-41296 Gothenburg, Sweden. EM chiara@nephy.chaliners.se RI Heilbronn, Lawrence/J-6998-2013; OI Heilbronn, Lawrence/0000-0002-8226-1057; Mancusi, Davide/0000-0002-2518-8228 NR 15 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 J9 NUCL PHYS A JI Nucl. Phys. A PD JUL 15 PY 2007 VL 791 IS 3-4 BP 451 EP 472 DI 10.1016/j.nuclphysa.2007.04.025 PG 22 WC Physics, Nuclear SC Physics GA 206BJ UT WOS:000249158600012 ER PT J AU Kim, KY Yellampalle, B Taylor, AJ Rodriguez, G Glownia, JH AF Kim, K. Y. Yellampalle, B. Taylor, A. J. Rodriguez, G. Glownia, J. H. TI Single-shot terahertz pulse characterization via two-dimensional electro-optic imaging with dual echelons SO OPTICS LETTERS LA English DT Article ID SPECTROSCOPY; RESOLUTION; TIME AB A single-shot measurement of terahertz electromagnetic pulses is implemented using two-dimensional electro-optic imaging with dual echelon optics. The reported embodiment produces sequentially delayed multiprobe beamlets, routinely providing a time window of > 10 ps with similar to 25 fs temporal step sizes. Because of its simplicity and robustness, the technique is ideally suited for real-time ultrashort relativistic electron bunch characterization. 2007 Optical Society of America. C1 Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Kim, KY (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM kykim@lanl.gov RI Rodriguez, George/G-7571-2012 OI Rodriguez, George/0000-0002-6044-9462 NR 14 TC 44 Z9 44 U1 0 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD JUL 15 PY 2007 VL 32 IS 14 BP 1968 EP 1970 DI 10.1364/OL.32.001968 PG 3 WC Optics SC Optics GA 199AS UT WOS:000248669200004 PM 17632612 ER PT J AU An, J Kim, D Dawson, JW Messerly, MJ Barty, CPJ AF An, J. Kim, D. Dawson, J. W. Messerly, M. J. Barty, C. P. J. TI Grating-less, fiber-based oscillator that generates 25 nJ pulses at 80 MHz, compressible to 150 fs SO OPTICS LETTERS LA English DT Article ID LASER AB We report a passively mode-locked fiber-based oscillator that has no internal dispersion-compensating gratings. This design, which we believe to be the first of its kind, produces 25 nJ pulses at 80 MHz with the pulses compressible to 150 fs. The pulses appear to be self-similar and initial data imply that their energy is further scalable. (c) 2007 Optical Society of America. C1 Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. Lawrence Livermore Natl Lab, Photon Sci & Applicat Program, Livermore, CA 94550 USA. RP Kim, D (reprint author), Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. EM kimd@postech.ac.kr NR 8 TC 29 Z9 30 U1 0 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 J9 OPT LETT JI Opt. Lett. PD JUL 15 PY 2007 VL 32 IS 14 BP 2010 EP 2012 DI 10.1364/OL.32.002010 PG 3 WC Optics SC Optics GA 199AS UT WOS:000248669200018 PM 17632626 ER PT J AU Monson, RK Trahan, N Rosenstiel, TN Veres, P Moore, D Wilkinson, M Norby, RJ Volder, A Tjoelker, MG Briske, DD Karnosky, DF Fall, R AF Monson, Russell K. Trahan, Nicole Rosenstiel, Todd N. Veres, Patrick Moore, David Wilkinson, Michael Norby, Richard J. Volder, Astrid Tjoelker, Mark G. Briske, David D. Karnosky, David F. Fall, Ray TI Isoprene emission from terrestrial ecosystems in response to global change: minding the gap between models and observations SO PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES LA English DT Article; Proceedings Paper CT Discussion Meeting on Trace Gas Biogeochemistry and Global Change CY NOV 13-14, 2006 CL Royal Soc, London, ENGLAND HO Royal Soc DE volatile organic compound; hydrocarbon; 2-methyl-1,3-butadiene; air pollution; net primary productivity ID ORGANIC-COMPOUND EMISSIONS; ELEVATED ATMOSPHERIC CO2; VAPOR-PRESSURE DEFICIT; TROPOSPHERIC OZONE; NONMETHANE HYDROCARBONS; BIOGENIC HYDROCARBONS; QUERCUS-PUBESCENS; CLIMATE-CHANGE; ASPEN LEAVES; CHEMISTRY AB Coupled surface-atmosphere models are being used with increased frequency to make predictions of tropospheric chemistry on a 'future' earth characterized by a warmer climate and elevated atmospheric CO2 concentration. One of the key inputs to these models is the emission of isoprene from forest ecosystems. Most models in current use rely on a scheme by which global change is coupled to changes in terrestrial net primary productivity (NPP) which, in turn, is coupled to changes in the magnitude of isoprene emissions. In this study, we conducted measurements of isoprene emissions at three prominent global change experiments in the United States. Our results showed that growth in art atmosphere of elevated CO2 inhibited the emission of isoprene at levels that completely compensate for possible increases in emission due to increases in aboveground NPP. Exposure to a prolonged drought caused leaves to increase their isoprene emissions despite reductions in photosynthesis, and presumably NPP. Thus, the current generation of models intended to predict the response of isoprene emission to future global change probably contain large errors. A framework is offered as a foundation for constructing new isoprene emission models based on the responses of leaf biochemistry to future climate change and elevated atmospheric CO2 concentrations. C1 Univ Colorado, Dept Ecol & Evolut Biol, Boulder, CO 80309 USA. Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. Natl Ctr Atmospher Res, Boulder, CO 80301 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Texas A&M Univ, Dept Hort Sci, College Stn, TX 77840 USA. Texas A&M Univ, Dept Rangeland Ecol & Management, College Stn, TX 77840 USA. Texas A&M Univ, Dept Forest Sci, College Stn, TX 77843 USA. Michigan Technol Univ, Sch Forest Resources & Environm Sci, Houghton, MI 49931 USA. RP Monson, RK (reprint author), Portland State Univ, Dept Biol, Portland, OR 97201 USA. EM russell.monson@colorado.edu RI Veres, Patrick/E-7441-2010; Norby, Richard/C-1773-2012; Moore, David/A-6268-2013; Tjoelker, Mark/M-2413-2016 OI Veres, Patrick/0000-0001-7539-353X; Norby, Richard/0000-0002-0238-9828; Tjoelker, Mark/0000-0003-4607-5238 NR 57 TC 81 Z9 81 U1 1 U2 36 PU ROYAL SOC PI LONDON PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND SN 1364-503X EI 1471-2962 J9 PHILOS T R SOC A JI Philos. Trans. R. Soc. A-Math. Phys. Eng. Sci. PD JUL 15 PY 2007 VL 365 IS 1856 BP 1677 EP 1695 DI 10.1098/rsta.2007.2038 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 186LS UT WOS:000247780800004 PM 17513269 ER PT J AU Yu, DH Fitzsimmons, MR Gilbert, EP Woodward, RC Kilcoyne, SH Robinson, RA AF Yu, D. H. Fitzsimmons, M. R. Gilbert, E. P. Woodward, R. C. Kilcoyne, S. H. Robinson, R. A. TI Neutron depolarization studies of Pd-Ni-Fe-P alloy SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 6th International Workshop on Polarised Neutrons in Condensed Matter Investigations CY SEP 25-28, 2006 CL Berllin Brandenburg Acad Sci, Berlin, GERMANY SP Hahn Meitner Inst Berlin HO Berllin Brandenburg Acad Sci DE neutron depolarization; spin glasses; phase transition; bulk metallic glasses AB Bulk metallic glasses based on the quaternary alloy Pd-Ni-Fe-P exhibit interesting phase behavior depending on temperature and applied magnetic field. Previous work has suggested that a range of magnetic phases, including paramagnetic, superparamagnetic, ferromagnetic and spin glass, can be observed in this system. We have applied one-dimensional neutron depolarization to explore the correlation of magnetic moments in Pd40M22.5Fe17.5P20 alloy as a function of temperature and applied magnetic field. The results provided evidence for correlation lengths of similar to 200A. The nature of the correlations and the formation mechanism of the induced ferromagnetic phase are discussed. (c) 2007 Elsevier B.V. All rights reserved. C1 Australian Nucl Sci & Technol Org, Bragg Inst, Menai, NSW 2234, Australia. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, LANSCE, Los Alamos, NM 87545 USA. Univ Western Australia, Sch Phys, Perth, WA 6009, Australia. Univ Salford, Inst Mat Res, Salford M5 4WT, Lancs, England. RP Yu, DH (reprint author), Australian Nucl Sci & Technol Org, Bragg Inst, Menai, NSW 2234, Australia. EM dehong.yu@ansto.gov.au RI Gilbert, Elliot/A-5566-2010; Lujan Center, LANL/G-4896-2012; Woodward, Robert/A-1397-2008; OI Gilbert, Elliot/0000-0001-6413-7813; Woodward, Robert/0000-0001-8913-6091; Kilcoyne, Sue/0000-0001-6942-4272 NR 10 TC 2 Z9 2 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD JUL 15 PY 2007 VL 397 IS 1-2 BP 30 EP 32 DI 10.1016/j.physb.2007.02.030 PG 3 WC Physics, Condensed Matter SC Physics GA 193FH UT WOS:000248259300009 ER PT J AU Bleuel, M Lang, E Krist, T Wagner, W Lal, J AF Bleuel, Markus Lang, Ed Krist, Thomas Wagner, Werner Lal, Jyotsana TI SANSPOL at a pulsed source SO PHYSICA B-CONDENSED MATTER LA English DT Article; Proceedings Paper CT 6th International Workshop on Polarised Neutrons in Condensed Matter Investigations CY SEP 25-28, 2006 CL Berllin Brandenburg Acad Sci, Berlin, GERMANY SP Hahn Meitner Inst Berlin HO Berllin Brandenburg Acad Sci DE small angle neutron scattering; polarized neutrons; magnetic scattering AB Neutron polarization has not been implemented successfully on a time-of-flight small angle neutron scattering (TOF-SANS) machine to this date anywhere in the world. Designing a suitable one for the small angle scattering instrument (SASI) at IPNS, and implementing it, is an important first on a pulsed source. To achieve this, the installation of a solid-state supermirror-based polarizer, a gradient field adiabatic spin flipper, and a new collimator package were required. A polarizing solid-state bender without adsorbing layers, designed to transmit one polarized spin state and reflect the other has been purchased from Neutron Optics Berlin (NOB). By placing this package upstream of the collimation only the transmitted spin-state passes through to the sample. The polarization achieved with this technique up to now is 80% for neutrons in a wavelength range of 3-8 A and 67% for larger wavelengths. The polarizer is placed on a linear translator so it can be easily removed from the beam, when regular SANS measurements are desired. The first experimental results from a two-phase CuNiFe alloy sample are reported here. (c) 2007 Published by Elsevier B.V. C1 Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. Hahn Meitner Inst Berlin GmbH, BENSC, D-14109 Berlin, Germany. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Lal, J (reprint author), Argonne Natl Lab, Div Intense Pulsed Neutron Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jlal@anl.gov NR 5 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-4526 J9 PHYSICA B JI Physica B PD JUL 15 PY 2007 VL 397 IS 1-2 BP 85 EP 87 DI 10.1016/j.physb.2007.02.044 PG 3 WC Physics, Condensed Matter SC Physics GA 193FH UT WOS:000248259300025 ER PT J AU Camaratta, M Wachsman, E AF Camaratta, Matthew Wachsman, Eric TI Silver-bismuth oxide cathodes for IT-SOFCs; Part I - Microstructural instability SO SOLID STATE IONICS LA English DT Article DE SOFC cathodes; cathode stability; silver; bismuth oxide; ESB; IT-SOFC; composite cathodes ID FUEL-CELLS; SOLID ELECTROLYTES; CONDUCTIVITY; TRANSFORMATION; TRANSPORT; STABILITY AB The long-term stability of composite electrodes consisting of silver and yttrium-stabilized bismuth oxide (Ag-YSB) or silver and erbium-stabilized bismuth oxide (Ag-ESB) has been examined in order to evaluate the potential of such systems for use as cathodes in low-temperature solid oxide fuel cells (SOFCs). The performance of these electrodes at 650 degrees C is initially among the best reported to date. However, the polarization resistance isothermally increases by more than 70% for Ag-YSB and nearly 70% for Ag-ESB, from 0.04 Omega cm to 0.07 Omega cm(2) and from 0.06 Omega cm(2) to 0.10 Omega cm(2), respectively, after 100 h at 650 degrees C. X-ray diffraction (XRD) and electron probe microanalysis (EPMA) reveal no evidence of reactivity or interdiffusion between the silver and bismuth oxide phases. A pure silver electrode tested under the same conditions showed a near fourfold increase in ASR (from 0.92 Omega cm(2) to 3.55 Omega cm(2)). Scanning electron microscopy (SEM) analysis reveals that the silver phase microstructure undergoes dramatic growth during this timeframe. This microstructural growth and consequent reduction in porosity is believed to diminish the cathodic reaction zone size and inhibit gas transport, thus resulting in the observed rise in polarization. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. RP Wachsman, E (reprint author), Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. EM ewach@mse.ufl.edu NR 21 TC 36 Z9 36 U1 0 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2738 J9 SOLID STATE IONICS JI Solid State Ion. PD JUL 15 PY 2007 VL 178 IS 19-20 BP 1242 EP 1247 DI 10.1016/j.ssi.2007.06.009 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 207LN UT WOS:000249252700011 ER PT J AU Ozturk, O Park, JB Ma, S Ratliff, JS Zhou, J Mullins, DR Chen, DA AF Ozturk, O. Park, J. B. Ma, S. Ratliff, J. S. Zhou, J. Mullins, D. R. Chen, D. A. TI Probing the interactions of Pt, Rh and bimetallic Pt-Rh clusters with the TiO2(110) support SO SURFACE SCIENCE LA English DT Article DE platinum; rhodium; titanium dioxide; X-ray photoelectron spectroscopy; low energy ion scattering; bimetallic surfaces; metal-oxide interfaces ID SCANNING-TUNNELING-MICROSCOPY; REDUCED RH/TIO2 CATALYSTS; SINGLE-CRYSTAL SURFACES; ULTRATHIN FE FILMS; PHOTOELECTRON-SPECTROSCOPY; CO ADSORPTION; CERIUM OXIDE; ELECTRON-SPECTROSCOPY; SIZE DISTRIBUTIONS; INTERACTION SMSI AB Pt, Rh, and Pt-Rh clusters on TiO2(110) have been investigated by scanning tunneling microscopy (STM), soft X-ray photoelectron spectroscopy (sXPS), and low energy ion scattering (LEIS). The surface compositions of Pt-Rh clusters are Pt-rich (66-80% Pt) for room temperature deposition of both 2 ML of Pt on 2 ML of Rh (Rh + Pt) and 2 ML of Rh on 2 ML of Pt (Pt + Rh). Pt and Rh atoms readily diffuse within the clusters at room temperature, and although diffusion is slower at 240 K, intermixing of Pt and Rh still occurs. The binding energies of surface and bulk states for Rh(3d(5/2)) and Pt(4f(7/2)) can be distinguished in sXPS studies, and an analysis of these spectra indicates that the surface compositions of the Pt + Rh and Rh + Pt clusters are similar at room temperature but not identical. In addition to sintering, the pure Pt, pure Rh and Pt-Rh clusters become completely encapsulated by titania upon heating to 700 K. sXPS investigations show that annealing the clusters to 850 K induces reduction of titania support to Ti+2 and Ti+3, with the extent of reduction being the greatest for Pt, the least for Rh and intermediate for Pt-Rh. We propose that TiO2 is reduced at the metal-titania interface on top of the clusters, not at the base of the clusters. Furthermore, the extent of titania reduction is greater for metal clusters with weaker metal-oxygen bonds because oxygen atoms are less likely to migrate to the top of the clusters, and therefore the encapsulating titania is oxygen-deficient. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. Gebze Yuksek Teknol Enstitusu, Gebze, Turkey. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Chen, DA (reprint author), Univ S Carolina, Dept Chem & Biochem, Columbia, SC 29208 USA. EM chen@mail.chem.sc.edu OI Chen, Donna A./0000-0003-4962-5530 NR 76 TC 30 Z9 32 U1 6 U2 45 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 15 PY 2007 VL 601 IS 14 BP 3099 EP 3113 DI 10.1016/j.suse.2007.05.030 PG 15 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 225VE UT WOS:000250545500027 ER PT J AU Bell, RC Wu, K Iedema, MJ Cowin, JP AF Bell, Richard C. Wu, Kai Iedema, Martin J. Cowin, James P. TI Hydronium ion motion in nanometer 3-methyl-pentane films SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID LIQUID-LIQUID INTERFACE; SOFT-LANDED IONS; TEMPERATURE-DEPENDENCE; DIELECTRIC FRICTION; HETEROGENEOUS DYNAMICS; SUPERCOOLED LIQUIDS; ORGANIC GLASSES; DIFFUSION; VISCOSITY; TRANSPORT AB An ion soft-landing approach was applied to study the motion of hydronium (D(3)O(+)) and cesium (Cs(+)) ions from 84 to 104 K in glassy 3-methyl-pentane (3MP) films vapor deposited on Pt(111). Both ions were found to have very similar mobilities in 3MP. The span of ion mobilities probed is from similar to 10(-18) to similar to 10(-13) m(2) V(-1) s(-1). Ion transport in these films was studied as a function of film thickness and electric field strength. The drift velocity was found to be linear with applied field below about 2 x 10(8) V/m and deviated from linearity above this. To a large extent, D(3)O(+) and Cs(+) motion in 3MP was well predicted by a simple continuum-based ion mobility model in films from 25 to 20 000 ML thick (including pronounced perturbations 7 ML from both the vacuum and Pt interfaces). The mobility varied with temperature more slowly than predicted by Stokes' law, which may be due to extended inhomogeneous structures in the 3MP near its glass transition at 77 K. C1 Penn State Univ, Altoona Coll, Dept Chem, Altoona, PA 16601 USA. Peking Univ, Beijing Natl Lab Mol Sci, State Key Struct Chem Unstable & Stable Species, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Bell, RC (reprint author), Penn State Univ, Altoona Coll, Dept Chem, Altoona, PA 16601 USA. EM rcb155@psu.edu RI Wu, Kai/A-4903-2011 OI Wu, Kai/0000-0002-5016-0251 NR 63 TC 4 Z9 4 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 14 PY 2007 VL 127 IS 2 AR 024704 DI 10.1063/1.2748756 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 189WT UT WOS:000248020000030 PM 17640142 ER PT J AU Whitney, KG Dasgupta, A Davis, J Coverdale, CA AF Whitney, K. G. Dasgupta, A. Davis, J. Coverdale, C. A. TI Effects of non-LTE multiplet dynamics on lumped-state modelling in moderate to high atomic number plasmas SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID RADIATION; SPECTRA; LINE AB Two atomic models of the population dynamics of substates within the n = 4 and n = 3 multiplets of nickel-like tungsten and beryllium-like iron, respectively, are described in this paper. The flexible atomic code (FAC) is used to calculate the collisional and radiative couplings and energy levels of the excited states within these ionization stages. These atomic models are then placed within larger principal-quantum-number-based ionization dynamic models of both tungsten and iron plasmas. Collisional-radiative equilibrium calculations are then carried out using these models that demonstrate how the multiplet substates depart from local thermodynamic equilibrium (LTE) as a function of ion density. The effect of these deviations from LTE on the radiative and collisional deexcitation rates of lumped 3s, 3p, 3d, 4s, 4p, 4d and 4f states is then calculated and least-squares fits to the density dependence of these lumped-state rate coefficients are obtained. The calculations show that, with the use of lumped-state models (which are in common use), one can accurately model the L- and M-shell ionization dynamics occurring in present-day Z-pinch experiments only through the addition of these extra, non-LTE-induced, rate coefficient density dependences. However, the derivation and use of low-order polynomial fits to these density dependences makes lumped-state modelling both viable and of value for post-processing analyses. C1 Berkeley Scholars Inc, Beltsville, MD 20705 USA. USN, Res Lab, Plasma Phys Div, Radiat Hydrodynam Branch, Washington, DC 20375 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Whitney, KG (reprint author), Berkeley Scholars Inc, 6551 Mid Cities Ave, Beltsville, MD 20705 USA. EM whitney@ppdmail.nrl.navy.mil NR 13 TC 1 Z9 1 U1 0 U2 1 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 2007 VL 40 IS 13 BP 2747 EP 2763 DI 10.1088/0953-4075/40/13/017 PG 17 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 183NF UT WOS:000247578800019 ER PT J AU Aubert, B Bona, M Boutigny, D Karyotakis, Y Lees, JP Poireau, V Prudent, X Tisserand, V Zghiche, A Tico, JG Grauges, E Lopez, L Palano, A Eigen, G Ofte, I Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Button-Shafer, J Cahn, RN Groysman, Y Jacobsen, RG Kadyk, JA Kerth, LT Kolomensky, YG Kukartsev, G Pegna, DL Lynch, G Mir, LM Orimoto, TJ Pripstein, M Roe, NA Ronan, MT Tackmann, K Wenzel, WA del Amo Sanchez, P Hawkes, CM Watson, AT Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Cottingham, WN Walker, D Asgeirsson, DJ Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Knecht, NS Mattison, TS McKenna, JA Khan, A Saleem, M Teodorescu, L Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Foulkes, SD Gary, JW Liu, F Long, O Shen, BC Zhang, L Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Kovalskyi, D Richman, JD Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Schalk, T Schumm, BA Seiden, A Williams, DC Wilson, MG Winstrom, LO Chen, E Cheng, CH Dvoretskii, A Fang, F Hitlin, DG Narsky, I Piatenko, T Porter, FC Mancinelli, G Meadows, BT Mishra, K Sokoloff, MD Blanc, F Bloom, PC Chen, S Ford, WT Hirschauer, JF Kreisel, A Nagel, M Nauenberg, U Olivas, A Smith, JG Ulmer, KA Wagner, SR Zhang, J Gabareen, AM Soffer, A Toki, WH Wilson, RJ Winklmeier, F Zeng, Q Altenburg, DD Feltresi, E Hauke, A Jasper, H Merkel, J Petzold, A Spaan, B Wacker, K Brandt, T Klose, V Lacker, HM Mader, WF Nogowski, R Schubert, J Schubert, KR Schwierz, R Sundermann, JE Volk, A Bernard, D Bonneaud, GR Latour, E Lombardo, V Thiebaux, C Verderi, M Clark, PJ Gradl, W Muheim, F Playfer, S Robertson, AI Xie, Y Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Franchini, P Luppi, E Negrini, M Petrella, A Piemontese, L Prencipe, E Santoro, V Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Buzzo, A Contri, R Lo Vetere, M Macri, MM Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Chaisanguanthum, KS Morii, M Wu, J Dubitzky, RS Marks, J Schenk, S Uwer, U Bard, DJ Dauncey, PD Flack, RL Nash, JA Nikolich, MB Vazquez, WP Behera, PK Chai, X Charles, MJ Mallik, U Meyer, NT Ziegler, V Cochran, J Crawley, HB Dong, L Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gritsan, AV Guo, ZJ Lae, CK Denig, AG Fritsch, M Schott, G Arnaud, N Bequilleux, J Davier, M Grosdidier, G Hocker, A Lepeltier, V Le Diberder, F Lutz, AM Pruvot, S Rodier, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wang, WF Wormser, G Lange, DJ Wright, DM Chavez, CA Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Schofield, KC Touramanis, C Bevan, AJ George, KA Di Lodovico, F Menges, W Sacco, R Cowan, G Flaecher, HU Hopkins, DA Jackson, PS McMahon, TR Salvatore, F Wren, AC Brown, DN Davis, CL Allison, J Barlow, NR Barlow, RJ Chia, YM Edgar, CL Lafferty, GD West, TJ Yi, JI Anderson, J Chen, C Jawahery, A Roberts, DA Simi, G Tuggle, JM Blaylock, G Dallapiccola, C Hertzbach, SS Li, X Moore, TB Salvati, E Saremi, S Cowan, R Fisher, PH Sciolla, G Sekula, J Spitznagel, M Taylor, F Yamamoto, RK Mclachlin, SE Patel, PM Robertson, SH Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Simard, M Taras, P Viaud, FB Nicholson, H De Nardo, G Fabozzi, F Lista, L Monorchio, D Sciacca, C Baak, MA Raven, G Snoek, HL Jessop, CP LoSecco, JM Benelli, G Corwin, LA Gan, KK Honscheid, K Hufnagel, D Kagan, H Kass, R Morris, JP Rahimi, AM Regensburger, JJ Ter-Antonyan, R Wong, QK Blount, NL Brau, J Frey, R Igonkina, O Kolb, JA Lu, M Rahmat, R Sinev, NB Strom, D Strube, J Torrence, E Gagliardi, N Gaz, A Margoni, M Morandin, M Pompili, A Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Ben-Haim, E Briand, H Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O Hartfiel, BL Leruste, P Malcles, J Ocariz, J Perez, A Gladney, L Biasini, M Covarelli, R Manoni, E Angelini, C Batignani, G Bettarini, S Calderini, G Carpinelli, M Cenci, R Cervelli, A Forti, F Giorgi, MA Lusiani, A Marchiori, G Mazur, MA Morganti, M Neri, N Paoloni, E Rizzo, G Walsh, JJ Haire, M Biesiada, J Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Baracchini, E Bellini, F Cavoto, G D'Orazio, A del Re, D Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Jackson, PD Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Renga, F Voena, C Ebert, M Schroder, H Waldi, R Adye, T Castelli, G Franek, B Olaiya, EO Ricciardi, S Roethel, W Wilson, FF Aleksan, 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Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Bhuyan, B. Hamano, K. Kowalewski, R. Nugent, I. M. Roney, J. M. Sobie, R. J. Back, J. J. Harrison, P. F. Latham, T. E. Mohanty, G. B. Pappagallo, M. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Wu, S. L. Yu, Z. Neal, H. CA BABAR Collaboration TI Observation of CP violation in B-0 -> K+pi(-) and B-0 ->pi(+)pi(-) SO PHYSICAL REVIEW LETTERS LA English DT Article ID E&E ANNIHILATION; DECAYS; ASYMMETRIES AB We report observations of CP violation in the decays B-0 -> K+pi(-) and B-0 ->pi(+)pi(-) in a sample of 383 x 10(6) Upsilon(4S)-> B (B) over bar events. We find 4372 +/- 82 B-0 -> K+pi(-) decays and measure the direct CP-violating charge asymmetry A(K pi)=-0.107 +/- 0.018(stat)(-0.004)(+0.007)(syst), which excludes the CP-conserving hypothesis with a significance of 5.5 standard deviations. In the same sample, we find 1139 +/- 49 B-0 ->pi(+)pi(-) decays and measure the CP-violating asymmetries S-pi pi=-0.60+/-0.11(stat) +/- 0.03(syst) and C-pi pi=-0.21 +/- 0.09(stat) +/- 0.02(syst). CP conservation in B-0 ->pi(+)pi(-) (S-pi pi=C-pi pi=0) is excluded at a confidence level 1-C.L.=8 x 10(-8), corresponding to 5.4 standard deviations. C1 CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. Univ Savoie, F-74941 Annecy Le Vieux, France. Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. Univ Bari, INFN, I-70126 Bari, Italy. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Experimentalphys, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. 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MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. Univ Milan, INFN, I-20133 Milan, Italy. Univ Mississippi, University, MS 38677 USA. Univ Montreal, Montreal, PQ H3C 3J7, Canada. Mt Holyoke Coll, S Hadley, MA 01075 USA. Univ Naples Federico II, Dipartimento Sci Fisiche, I-80126 Naples, Italy. Univ Naples Federico II, INFN, I-80126 Naples, Italy. NIKHEF H, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. Univ Notre Dame, Notre Dame, IN 46556 USA. Ohio State Univ, Columbus, OH 43210 USA. Univ Oregon, Eugene, OR 97403 USA. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. Univ Padua, INFN, I-35131 Padua, Italy. Univ Denis Diderot Paris 7, Univ Paris 06, CNRS, Phys Theor & Hautes Energies Lab,IN2P3, F-75252 Paris, France. Univ Penn, Philadelphia, PA 19104 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Perugia, INFN, I-06100 Perugia, Italy. Univ Pisa, Dipartimento Fis, Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pisa, INFN, I-56127 Pisa, Italy. Prairie View A&M Univ, Prairie View, TX 77446 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Roma La Sapienza, INFN, I-00185 Rome, Italy. Univ Rostock, D-18051 Rostock, Germany. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. CEA Saclay, DSM Dapnia, F-91191 Gif Sur Yvette, France. Univ S Carolina, Columbia, SC 29208 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. Stanford Univ, Stanford, CA 94305 USA. SUNY Albany, Albany, NY 12222 USA. Univ Tennessee, Knoxville, TN 37996 USA. Univ Texas, Austin, TX 78712 USA. Univ Texas, Richardson, TX 75083 USA. Univ Turin, Dipartimento Fis Sperimentale, I-10125 Turin, Italy. Univ Turin, INFN, I-10125 Turin, Italy. Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. Univ Trieste, INFN, I-34127 Trieste, Italy. Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. Univ Victoria, Victoria, BC V8W 3P6, Canada. Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06511 USA. Univ Perugia, Dipartimento Fis, I-06100 Perugia, Italy. Univ Basilicata, I-85100 Potenza, Italy. Univ Durham, Dept Phys, IPPP, Durham DH1 3LE, England. RP Aubert, B (reprint author), CNRS, IN2P3, Phys Particules Lab, F-74941 Annecy Le Vieux, France. RI Calcaterra, Alessandro/P-5260-2015; Frey, Raymond/E-2830-2016; dong, liaoyuan/A-5093-2015; Rizzo, Giuliana/A-8516-2015; Luppi, Eleonora/A-4902-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Lusiani, Alberto/A-3329-2016; Morandin, Mauro/A-3308-2016; Della Ricca, Giuseppe/B-6826-2013; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; Roe, Natalie/A-8798-2012; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009 OI Calcaterra, Alessandro/0000-0003-2670-4826; Frey, Raymond/0000-0003-0341-2636; Bettarini, Stefano/0000-0001-7742-2998; Cibinetto, Gianluigi/0000-0002-3491-6231; dong, liaoyuan/0000-0002-4773-5050; Pacetti, Simone/0000-0002-6385-3508; Covarelli, Roberto/0000-0003-1216-5235; Rizzo, Giuliana/0000-0003-1788-2866; Paoloni, Eugenio/0000-0001-5969-8712; Faccini, Riccardo/0000-0003-2613-5141; Raven, Gerhard/0000-0002-2897-5323; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Della Ricca, Giuseppe/0000-0003-2831-6982; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Bellini, Fabio/0000-0002-2936-660X NR 29 TC 59 Z9 59 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 13 PY 2007 VL 99 IS 2 AR 021603 DI 10.1103/PhysRevLett.99.021603 PG 7 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000013 PM 17678212 ER PT J AU Ishii, N Aoki, S Hatsuda, T AF Ishii, N. Aoki, S. Hatsuda, T. TI Nuclear force from lattice QCD SO PHYSICAL REVIEW LETTERS LA English DT Article AB The nucleon-nucleon (NN) potential is studied by lattice QCD simulations in the quenched approximation, using the plaquette gauge action and the Wilson quark action on a 32(4) [similar or equal to(4.4 fm)(4)] lattice. A NN potential V-NN(r) is defined from the equal-time Bethe-Salpeter amplitude with a local interpolating operator for the nucleon. By studying the NN interaction in the S-1(0) and S-3(1) channels, we show that the central part of V-NN(r) has a strong repulsive core of a few hundred MeV at short distances (r less than or similar to 0.5 fm) surrounded by an attractive well at medium and long distances. These features are consistent with the known phenomenological features of the nuclear force. C1 Univ Tsukuba, Ctr Comp Sci, Tsukuba, Ibaraki 3058577, Japan. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Univ Tsukuba, Grad Sch Pure & Appl Sci, Tsukuba, Ibaraki 3058571, Japan. RIKEN BNL Res Ctr, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ishii, N (reprint author), Univ Tsukuba, Ctr Comp Sci, Tsukuba, Ibaraki 3058577, Japan. RI Hatsuda, Tetsuo/C-2901-2013 NR 19 TC 206 Z9 209 U1 2 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 13 PY 2007 VL 99 IS 2 AR 022001 DI 10.1103/PhysRevLett.99.022001 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000014 PM 17678213 ER PT J AU Larson, BC Ku, W Tischler, JZ Lee, CC Restrepo, OD Eguiluz, AG Zschack, P Finkelstein, KD AF Larson, B. C. Ku, Wei Tischler, J. Z. Lee, Chi-Cheng Restrepo, O. D. Eguiluz, A. G. Zschack, P. Finkelstein, K. D. TI Nonresonant inelastic x-ray scattering and energy-resolved Wannier function investigation of d-d excitations in NiO and CoO SO PHYSICAL REVIEW LETTERS LA English DT Article AB Nonresonant inelastic x-ray scattering measurements on NiO and CoO show that strong dipole-forbidden d-d excitations appear within the Mott gap at large wave vectors. These dominant excitations are highly anisotropic, and have [001] nodal directions for NiO. Theoretical analyses based on a novel, energy-resolved Wannier function (within the local density approximation + Hubbard U) show that the anisotropy reflects the local exciton wave functions and local point-group symmetry. The sensitivity to weak symmetry breaking in particle-hole wave functions suggests a wide application to strongly correlated systems. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Tamkang Univ, Dept Phys, Tamsui 25137, Taiwan. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Argonne Natl Lab, Adv Photon Source, XOR UNI, Argonne, IL 60439 USA. Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. RP Larson, BC (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. NR 22 TC 59 Z9 59 U1 2 U2 17 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 13 PY 2007 VL 99 IS 2 AR 026401 DI 10.1103/PhysRevLett.99.026401 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000039 PM 17678238 ER PT J AU Nollett, KM Pieper, SC Wiringa, RB Carlson, J Hale, GM AF Nollett, Kenneth M. Pieper, Steven C. Wiringa, R. B. Carlson, J. Hale, G. M. TI Quantum Monte Carlo calculations of neutron-alpha scattering SO PHYSICAL REVIEW LETTERS LA English DT Article ID LIGHT-NUCLEI; HE-5 AB We describe a new method to treat low-energy scattering problems in few-nucleon systems, and we apply it to the five-body case of neutron-alpha scattering. The method allows precise calculations of low-lying resonances and their widths. We find that a good three-nucleon interaction is crucial to obtain an accurate description of neutron-alpha scattering. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Nollett, KM (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RI Wiringa, Robert/M-4970-2015; OI Nollett, Kenneth/0000-0002-0671-320X; Carlson, Joseph/0000-0002-3163-5565 NR 23 TC 142 Z9 142 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 13 PY 2007 VL 99 IS 2 AR 022502 DI 10.1103/PhysRevLett.99.022502 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000017 PM 17678216 ER PT J AU Pierce, JP Bartelt, NC McCarty, KF AF Pierce, J. P. Bartelt, N. C. McCarty, K. F. TI Evolution of a reactive surface via subsurface defect dynamics SO PHYSICAL REVIEW LETTERS LA English DT Article ID VACANCIES; SOLIDS; PHASE AB We find that the topography and composition of a reactive surface can evolve during epitaxy via motion of point and line defects within the material. We observe the response of a NiAl surface to an Al atom flux with low-energy electron microscopy. Initially, new NiAl layers grow as Al atoms exchange with bulk Ni atoms. When the surface is critically enriched in Al, condensation occurs at dislocations. They dissociate, move linearly, and leave tracks of altered composition and new atomic steps. We show how these dynamics depend on the identity and quantity of point defects near the surface. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Pierce, JP (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94551 USA. RI McCarty, Kevin/F-9368-2012; Bartelt, Norman/G-2927-2012 OI McCarty, Kevin/0000-0002-8601-079X; NR 12 TC 6 Z9 6 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 13 PY 2007 VL 99 IS 2 AR 026101 DI 10.1103/PhysRevLett.99.026101 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000036 PM 17678235 ER PT J AU Seweryniak, D Carpenter, MP Gros, S Hecht, AA Hoteling, N Janssens, RVF Khoo, TL Lauritsen, T Lister, CJ Lotay, G Peterson, D Robinson, AP Walters, WB Wang, X Woods, PJ Zhu, S AF Seweryniak, D. Carpenter, M. P. Gros, S. Hecht, A. A. Hoteling, N. Janssens, R. V. F. Khoo, T. L. Lauritsen, T. Lister, C. J. Lotay, G. Peterson, D. Robinson, A. P. Walters, W. B. Wang, X. Woods, P. J. Zhu, S. TI Single-neutron states in Sn-101 SO PHYSICAL REVIEW LETTERS LA English DT Article ID IN-BEAM; BETA-DECAY; IDENTIFICATION; NUCLEI; NO-254 AB The first data on the relative single-particle energies outside the doubly magic Sn-100 nucleus were obtained. A prompt 171.7(6) keV gamma-ray transition was correlated with protons emitted following the beta decay of Sn-101 and is interpreted as the transition between the single-neutron g(7/2) and d(5/2) orbitals in Sn-101. This observation provides a stringent test of current nuclear structure models. The measured nu g(7/2)-nu d(5/2) energy splitting is compared with values calculated using mean-field nuclear potentials and is used to calculate low-energy excited states in light Sn isotopes in the framework of the shell model. The correlation technique used in this work offers possibilities for future, more extensive spectroscopy near Sn-100. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Univ Maryland, College Pk, MD 20742 USA. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Notre Dame, Notre Dame, IN 46556 USA. RP Seweryniak, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 NR 23 TC 49 Z9 50 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 13 PY 2007 VL 99 IS 2 AR 022504 DI 10.1103/PhysRevLett.99.022504 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000019 PM 17678218 ER PT J AU Singleton, J Goddard, PA Ardavan, A Coldea, AI Blundell, SJ McDonald, RD Tozer, S Schlueter, JA AF Singleton, John Goddard, P. A. Ardavan, A. Coldea, A. I. Blundell, S. J. McDonald, R. D. Tozer, S. Schlueter, J. A. TI Persistence to high temperatures of interlayer coherence in an organic superconductor SO PHYSICAL REVIEW LETTERS LA English DT Article ID DEPENDENT MAGNETORESISTANCE OSCILLATIONS; HIGH MAGNETIC-FIELDS; QUASI-2-DIMENSIONAL CONDUCTORS; METALS; KAPPA-(BEDT-TTF)(2)CU(NCS)(2); TRANSPORT AB The interlayer magnetoresistance rho(zz) of the organic metal kappa-(BEDT-TTF)(2)Cu(NCS)(2) is studied in fields of up to 45 T and at temperatures T from 0.5 to 30 K. The peak in rho(zz) seen in in-plane fields, a definitive signature of interlayer coherence, remains to Ts exceeding the Anderson criterion for incoherent transport by a factor similar to 30. Angle-dependent magnetoresistance oscillations are modeled using an approach based on field-induced quasiparticle paths on a 3D Fermi surface, to yield the T dependence of the scattering rate tau(-1). The results suggest that tau(-1) does not vary strongly over the Fermi surface, and that it has a T-2 dependence due to electron-electron scattering. C1 Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Univ Bristol, HH Wills Phys Lab, Bristol BS9 1TL, Avon, England. NHMFL, Tallahassee, FL 32310 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Singleton, J (reprint author), Los Alamos Natl Lab, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA. RI Coldea, Amalia/C-1106-2013; McDonald, Ross/H-3783-2013; Goddard, Paul/A-8638-2015; OI McDonald, Ross/0000-0002-0188-1087; Goddard, Paul/0000-0002-0666-5236; Mcdonald, Ross/0000-0002-5819-4739 NR 34 TC 18 Z9 18 U1 0 U2 9 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 13 PY 2007 VL 99 IS 2 AR 027004 DI 10.1103/PhysRevLett.99.027004 PG 4 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000049 PM 17678248 ER PT J AU Watanabe, T Wang, XJ Murphy, JB Rose, J Shen, Y Tsang, T Giannessi, L Musumeci, P Reiche, S AF Watanabe, T. Wang, X. J. Murphy, J. B. Rose, J. Shen, Y. Tsang, T. Giannessi, L. Musumeci, P. Reiche, S. TI Comment on "Experimental characterization of superradiance in a single-pass high-gain laser-seeded free-electron laser amplifier" - Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material C1 Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. ENEA CR Frascati, I-00044 Frascati, Italy. Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Watanabe, T (reprint author), Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RI Giannessi, Luca/D-3117-2013 OI Giannessi, Luca/0000-0002-7643-9840 NR 3 TC 1 Z9 1 U1 0 U2 1 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 13 PY 2007 VL 99 IS 2 AR 029502 DI 10.1103/PhysRevLett.99.029502 PG 1 WC Physics, Multidisciplinary SC Physics GA 189XD UT WOS:000248021000071 ER PT J AU Karin, N AF Karin, Norman TI A diver's perspective on coral damage SO SCIENCE LA English DT Letter C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Karin, N (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 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 13 PY 2007 VL 317 IS 5835 BP 196 EP 197 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 189DC UT WOS:000247968600019 PM 17626867 ER PT J AU Reimus, PW Callahan, TJ AF Reimus, Paul W. Callahan, Timothy J. TI Matrix diffusion rates in fractured volcanic rocks at the Nevada Test Site: Evidence for a dominant influence of effective fracture apertures SO WATER RESOURCES RESEARCH LA English DT Article ID SOLUTE TRANSPORT; RADIONUCLIDE MIGRATION; CONCEPTUAL-MODEL; POROUS-MEDIA; TRACER TESTS; FLOW; PARAMETERS; SURFACE; WATER; TUFF AB Solute matrix diffusion in saturated, fractured volcanic rock at the Nevada Test Site was evaluated from field tracer tests conducted at two different locations and from laboratory-scale transport experiments using core samples from the two locations. The laboratory tests included 15 separate tracer transport experiments conducted in 8 fractured cores (4 from each location) and 17 diffusion cell experiments conducted in matrix material adjacent to the fractures. All of the experiments featured two nonsorbing tracers with free diffusion coefficients differing by a factor of approximately 3 to allow the effects of diffusion to be distinguished from the effects of advection, dispersion, and source-term tailing in the experiments. When considering all the laboratory and field transport experiments collectively, the lumped mass transfer parameter that characterizes matrix diffusion rates, phi(m)/b root D-m (sec(-1/2)) (where phi(m) is the matrix porosity, b is the effective fracture half-aperture, and D-m is the matrix diffusion coefficient), appears to decrease as time and length scales of observation increase. However, these decreasing trends largely disappear when the laboratory and field data are considered separately, and there is little difference in D-m values measured at different timescales in laboratory experiments using the same rocks. Also, the overall variability in phi(m) and D-m in the laboratory experiments is not large enough to account for the order-of-magnitude smaller field-scale values of phi(m)/b root D-m compared to lab-scale values. We conclude that experimentally observed trends of phi(m)/b root D-m versus time or distance scale in saturated fractured rocks at the Nevada Test Site are dominated by differences in effective fracture apertures in the various experiments, with a tendency toward larger apertures in the field experiments. These results underscore the importance of acquiring a better understanding of the factors that control effective fracture apertures as a function of distance scale in fractured media if values of phi(m)/b root D-m from laboratory and field tracer experiments are to be reliably extrapolated to time and distance scales in risk assessment models. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. Coll Charleston, Dept Geol & Environm Geosci, Charleston, SC 29424 USA. RP Reimus, PW (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, MS J534,POB 1663, Los Alamos, NM 87545 USA. NR 35 TC 12 Z9 12 U1 3 U2 13 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD JUL 13 PY 2007 VL 43 IS 7 AR W07421 DI 10.1029/2006WR005746 PG 10 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 190EF UT WOS:000248040100008 ER PT J AU Reynolds, RC Campbell, SR Fairchild, RG Kisliuk, RL Micca, PL Queener, SF Riordan, JM Sedwick, WD Waud, WR Leung, AKW Dixon, RW Suling, WJ Borhani, DW AF Reynolds, Robert C. Campbell, Shiela R. Fairchild, Ralph G. Kisliuk, Roy L. Micca, Peggy L. Queener, Sherry F. Riordan, James M. Sedwick, W. David Waud, William R. Leung, Adelaine K. W. Dixon, Richard W. Suling, William J. Borhani, David W. TI Novel boron-containing, nonclassical antifolates: Synthesis and preliminary biological and structural evaluation SO JOURNAL OF MEDICINAL CHEMISTRY LA English DT Article ID NEUTRON-CAPTURE THERAPY; HUMAN DIHYDROFOLATE-REDUCTASE; DERIVATIVES; INHIBITORS; TRIMETHOPRIM; SELECTIVITY; AGENTS; DRUGS; ACID AB Two boron-containing, ortho-icosahedral carborane lipophilic antifolates were synthesized, and the crystal structures of their ternary complexes with human dihydrofolate reductase (DHFR) and dihydronicotinamide adenine dinucleotide phosphate were determined. The compounds were screened for activity against DHFR from six sources (human, rat liver, Pneumocystis carinii, Toxoplasma gondii, Mycobacterium avium, and Lactobacillus casei) and showed good to modest activity against these enzymes. The compounds were also tested for antibacterial activity against L. casei, M. tuberculosis H37Ra, and three M. avium strains and for cytotoxic activity against seven different human tumor cell lines. Antibacterial and cytotoxic activity was modest, with one sample, the closo-carborane 4, showing about 10-fold greater activity. The less toxic nido-carborane 2 was also tested as a candidate for boron neutron capture therapy, but showed poor tumor retention and low selectivity ratios for boron distribution in tumor tissue versus normal tissue. C1 So Res Inst, Drug Discovery Div, Birmingham, AL 35205 USA. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Tufts Univ, Sackler Sch Grad Biomed Sci, Dept Biochem, Boston, MA 02111 USA. Indiana Univ, Sch Med, Dept Pharmacol & Toxicol, Indianapolis, IN 46202 USA. Case Western Reserve Univ, Dept Med, Cleveland, OH 44106 USA. Abbot Biores Ctr, Dept Chem, Worcester, MA 01605 USA. RP Reynolds, RC (reprint author), So Res Inst, Dept Organ Chem, 2000th Ninth Ave, Birmingham, AL 35205 USA. EM reynolds@sri.org; david.borhani@alum.mit.edu RI Leung, Adelaine/F-4132-2011; OI Leung, Adelaine/0000-0002-2849-4474; Borhani, David/0000-0002-8486-8792 FU NIAID NIH HHS [AI-45317, AI-30279, AI-38667, AI-38707, AI-41348] NR 43 TC 42 Z9 43 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0022-2623 J9 J MED CHEM JI J. Med. Chem. PD JUL 12 PY 2007 VL 50 IS 14 BP 3283 EP 3289 DI 10.1021/jm0701977 PG 7 WC Chemistry, Medicinal SC Pharmacology & Pharmacy GA 186DX UT WOS:000247760400015 PM 17569517 ER PT J AU Bordallo, HN Argyriou, DN Barthes, M Kalceff, W Rols, S Herwig, KW Fehr, C Juranyi, F Seydel, T AF Bordallo, Heloisa N. Argyriou, Dimitri N. Barthes, Mariette Kalceff, Walter Rols, Stephane Herwig, Kenneth W. Fehr, Carlos Juranyi, Fanni Seydel, Tilo TI Hydrogen in N-methylacetamide: Positions and dynamics of the hydrogen atoms using neutron scattering SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID METHYL-GROUP DYNAMICS; CRYSTAL STRUCTURE; SPECTROMETER; ACETANILIDE; PARACETAMOL; DIFFRACTION; TRANSITION; DEPENDENCE; ACETAMIDE; POLYMORPH AB This work reports neutron diffraction and incoherent neutron scattering experiments on N-methylacetamide (NMA), which can be considered the model building block for the peptide linkage of polypeptides and proteins. Using the neutron data, we have been able to associate the onset of a striking negative thermal expansion (NTE) along the a-axis with a dynamical transition around 230 K, consistent with our calorimetric experiments. Observation of the NTE raises the question of possible proton transfer in NMA, which, from our data alone, still cannot be settled. We can only speculate that intermolecular repulsive forces increase as the O center dot center dot center dot H distance decreases upon cooling, and that around 230 K the lattice relaxes without observation of an actual proton transfer. However, the existence of a nonharmonic potential, reflected by the behavior of the phonon vibrations together with the observation of NTE, could be justified by the "vibrational" polaron theory in which a dynamic localization of the vibrational energy is created by coupling an internal molecular mode to a lattice phonon. More generally, this work shows that neutron powder diffraction techniques can be very powerful for investigating structural deformations in small peptide systems. C1 Hahn Meitner Inst Berlin GmbH, D-14109 Berlin, Germany. Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. Univ Montpellier 2, F-34095 Montpellier 05, France. Univ Technol Sydney, Dept Phys & Adv Mat, Sydney, NSW 2007, Australia. Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. Univ Saarland, D-66123 Saarbrucken, Germany. Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland. RP Bordallo, HN (reprint author), Hahn Meitner Inst Berlin GmbH, Glienicker Str 100, D-14109 Berlin, Germany. EM bordallo@hmi.de RI Herwig, Kenneth/F-4787-2011; ROLS, Stephane/A-1609-2013; Bordallo, Heloisa/I-6836-2012 OI ROLS, Stephane/0000-0002-9892-816X; Bordallo, Heloisa/0000-0003-0750-0553 NR 40 TC 10 Z9 10 U1 0 U2 6 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 12 PY 2007 VL 111 IS 27 BP 7725 EP 7734 DI 10.1021/jp068528z PG 10 WC Chemistry, Physical SC Chemistry GA 186EJ UT WOS:000247761600004 PM 17571870 ER PT J AU Li, Y Somorjai, GA AF Li, Yimin Somorjai, Gabor A. TI Surface premelting of ice SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Review ID ATOMIC-FORCE MICROSCOPY; LIQUID-LIKE LAYER; X-RAY-SCATTERING; TRANSITION LAYER; MOLECULAR-DYNAMICS; FRICTION; CRYSTAL; CONSEQUENCES; SPECTROSCOPY; TEMPERATURES AB In this review, we summarize the available experimental data from recently developed molecular level techniques on the surface structure, surface premelting layer thickness, and friction of ice. We conclude that surface premelting of ice is responsible for the unique surface properties of the important substance. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Li, Y (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Li, Yimin/F-5817-2012; Li, Yimin/F-5821-2012 NR 42 TC 77 Z9 80 U1 10 U2 54 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 12 PY 2007 VL 111 IS 27 BP 9631 EP 9637 DI 10.1021/jp071102f PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 186EN UT WOS:000247762000001 ER PT J AU Chen, XY Ma, E Liu, GK Yin, M AF Chen, Xueyuan Ma, En Liu, Guokui Yin, Min TI Excited-state dynamics of Er3+ in Gd2O3 nanocrystals SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RARE-EARTH IONS; VISIBLE UP-CONVERSION; VIBRONIC TRANSITIONS; LANTHANIDE IONS; MCCUMBER THEORY; LUMINESCENCE; ABSORPTION; EMISSION; CRYSTALS; NANOPARTICLES AB The temperature-dependent lifetime of the green emission from Er3+ ions in 40-50 nm Gd2O3 nanocrystals has been measured and analyzed. The luminescence decay from the S-4(3/2) state of Er3+ shows nonexponential characteristics when excited directly to the thermally coupled H-2(11/2) from 10 to 300 K, indicating energy transfer to defects in the nanocrystals. The intrinsic lifetime of the S-4(3/2) state was determined by utilizing the efficient energy transfer from Gd3+ to Er3+. It is shown that, on the basis of a simplified thermalization model, multiphonon nonradiative relaxation from S-4(3/2) to F-4(9/2) plays a leading role in the observed temperature dependence of the intrinsic lifetime. Furthermore, a reciprocity method has been successfully extended to the calculation of the room-temperature emission spectrum of the H-2(11/2)-I-4(15/2) transition according to the measured excitation spectrum. Unusual phonon side bands in the laser excitation spectrum are observed in the hypersensitive transitions of Er3+. The origin of the phonon side bands is ascribed to the M process that involves the infrared-active lattice modes. C1 Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China. RP Chen, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, Natl Engn Res Ctr Optoelect Crystalline Mat, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China. EM xchen@fjirsm.ac.cn RI Chen, Xueyuan/C-5613-2012 OI Chen, Xueyuan/0000-0003-0493-839X NR 34 TC 21 Z9 23 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 12 PY 2007 VL 111 IS 27 BP 9638 EP 9643 DI 10.1021/jp066223e PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 186EN UT WOS:000247762000002 ER PT J AU Wasylenko, W Frei, H AF Wasylenko, Walter Frei, Heinz TI Dynamics of propane in silica mesopores formed upon propylene hydrogenation over Pt nanoparticles by time-resolved FT-IR spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID C2H4 HYDROGENATION; PT/AL2O3 CATALYST; SBA-15 SILICA; SURFACE; PT(111); ADSORPTION; PROPENE AB Propylene hydrogenation over Pt nanoparticles supported on mesoporous silica type SBA-15 was monitored by time-resolved FT-IR spectroscopy at 23 ms resolution using short propylene gas pulses joining a continuous flow of hydrogen (in nitrogen, 1 atm total pressure). Experiments were conducted in the temperature range of 323-413 K. Propane was formed within 100 ms or faster depending on reaction temperature. The frequency and temporal behavior of a transient band observed at 1457 cm(-1) are consistent with a surface propyl intermediate and its hydrogenation to propane. The CH stretching region revealed distinct bands for propane molecules emerging inside the nanoscale channels of the silica support. Spectral analysis gave the distribution of the propane product between the support and surrounding gas phase as a function of time. Kinetic analysis showed that the escape of propane molecules from the channels occurred within hundreds of milliseconds (3.1 +/- 0.4 s(-1) at 383 K). A steady-state distribution of propane between the gas phase and mesoporous support was established as the product is swept from the catalyst zone by the continuous flow of hydrogen coreactant. This is the first direct spectroscopic observation of emerging products of heterogeneous catalysis on nanoporous supports under reaction conditions. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Frei, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. NR 17 TC 6 Z9 6 U1 3 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 12 PY 2007 VL 111 IS 27 BP 9884 EP 9890 DI 10.1021/jp071244+ PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 186EN UT WOS:000247762000032 ER PT J AU Fukao, Y Togawa, M Bazilevsky, A Bland, LC Bogdanov, A Bunce, G Deshpande, A En' yo, H Fox, BD Goto, Y Haggerty, JS Imai, K Lenz, W von Lintig, D Liu, MX Makdisi, YI Muto, R Nurushev, SB Pascuzzi, E Purschke, ML Saito, N Sakuma, F Stoll, SP Tanida, K Tojo, J Watanabe, Y Woody, CL AF Fukao, Y. Togawa, M. Bazilevsky, A. Bland, L. C. Bogdanov, A. Bunce, G. Deshpande, A. En' yo, H. Fox, B. D. Goto, Y. Haggerty, J. S. Imai, K. Lenz, W. von Lintig, D. Liu, M. X. Makdisi, Y. I. Muto, R. Nurushev, S. B. Pascuzzi, E. Purschke, M. L. Saito, N. Sakuma, F. Stoll, S. P. Tanida, K. Tojo, J. Watanabe, Y. Woody, C. L. TI Single transverse-spin asymmetry in very forward and very backward neutral particle production for polarized proton collisions at root S=200 GeV SO PHYSICS LETTERS B LA English DT Article ID PC CNI POLARIMETER; 1ST COLLIDER RUN; LAMBDA PRODUCTION; PION-EXCHANGE; FRAGMENTATION; PERFORMANCE; SPECTRA; PP AB In the 2001-2002 running period of the Relativistic Heavy Ion Collider (RHIC), transversely polarized protons were accelerated to 100 GeV for the first time, with collisions at root s = 200 GeV. We present results from this run for single transverse-spin asymmetries for inclusive production of neutral pions, photons and neutrons of the energy region 20-100 GeV for forward and backward production for angles between 0.3 mrad and 2.2 mrad with respect to the polarized proton direction. An asymmetry of A(N) = (-0.090 +/- 0.006 +/- 0.009) X (1.0(-0.24)(+047)) was observed for forward neutron production, where the errors are statistical and systematic, and the scale error is from the beam polarization uncertainty. The forward photon and pi(0), and backward neutron, photon, and pi(0) asymmetries were consistent with zero. The large neutron asymmetry indicates a strong interference between a spin-flip amplitude, such as one pion exchange which dominates lower energy neutron production, and remaining spin-non-flip amplitudes such as reggeon exchange. (c) 2007 Elsevier B.V. All rights reserved. C1 RIKEN, Wako, Saitama 3510198, Japan. Brookhaven Natl Lab, Upton, NY 11973 USA. Inst High Energy Phys, Protvino, Russia. Kyoto Univ, Kyoto 6068502, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. State Univ Russia, Moscow Engn Phys Inst, Moscow 115409, Russia. RIKEN, BNL Res Ctr, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Goto, Y (reprint author), RIKEN, Wako, Saitama 3510198, Japan. EM goto@bnl.gov RI En'yo, Hideto/B-2440-2015 NR 19 TC 20 Z9 20 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 12 PY 2007 VL 650 IS 5-6 BP 325 EP 330 DI 10.1016/j.physletb.2007.05.049 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 193FK UT WOS:000248259600004 ER PT J AU Qiu, JW Vogelsang, W Yuan, F AF Qiu, Jian-Wei Vogelsang, Werner Yuan, Feng TI Asymmetric di-jet production in polarized hadronic collisions SO PHYSICS LETTERS B LA English DT Article DE QCD factorization; single transverse-spin asymmetry; di-jet correlation ID TRANSVERSE-SPIN ASYMMETRIES; DEEP-INELASTIC SCATTERING; FINAL-STATE INTERACTIONS; DRELL-YAN PROCESSES; SINGLE-SPIN; HARD-SCATTERING; PARTON DISTRIBUTIONS; ANALYZING POWER; CROSS-SECTIONS; PROTON-BEAM AB Using the collinear QCD factorization approach, we study the single-transverse-spin dependent cross section Delta sigma(S(perpendicular to)) for the hadronic production of two jets of momenta P, = P + q/2 and P(2) = -P + q/2. We consider the kinematic region where the transverse components of the momentum vectors satisfy P(perpendicular to) >> q(perpendicular to) >> Delta QCD. For the case of initial-state gluon radiation, we show that at the leading power in q(perpendicular to)/P(perpendicular to) and at the lowest non-trivial perturbative order, the dependence of Delta sigma(S(perpendicular to)) on q(perpendicular to) decouples from that on P(perpendicular to), so that the cross section can be factorized into a hard part that is a function only of the single scale P(perpendicular to), and into perturbatively generated transverse-momentum dependent (TMD) parton distributions with transverse momenta kappa(perpendicular to) = O(q(perpendicular to)). (c) 2007 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, BNL Res Ctr, RIKEN, Upton, NY 11973 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Yuan, F (reprint author), Brookhaven Natl Lab, BNL Res Ctr, RIKEN, Bldg 510A, Upton, NY 11973 USA. EM fyuan@quark.phy.bnl.gov RI Yuan, Feng/N-4175-2013 NR 45 TC 28 Z9 28 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 12 PY 2007 VL 650 IS 5-6 BP 373 EP 378 DI 10.1016/j.physletb.2007.05.023 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 193FK UT WOS:000248259600012 ER PT J AU Grigoryan, HR Radyushkin, AV AF Grigoryan, Hovhannes R. Radyushkin, Anatoly V. TI Form factors and wave functions of vector mesons in holographic QCD SO PHYSICS LETTERS B LA English DT Article ID ENERGY AB Within the framework of a holographic dual model of QCD, we develop a formalism for calculating form factors of vector mesons. We show that the holographic bound states can be described not only in terms of eigenfunctions of the equation of motion, but also in terms of conjugate wave functions that are close analogues of quantum-mechanical bound state wave functions. We derive a generalized VMD representation for form factors, and find a very specific VMD pattern, in which form factors are essentially given by contributions due to the first two bound states in the Q(2)-channel. We calculate electric radius of the rho-meson, finding the value (r(rho)(2))C = 0.53 fm(2). (c) 2007 Elsevier B.V. All rights reserved. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Louisiana State Univ, Dept Phys, Baton Rouge, LA 70803 USA. Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. Joint Inst Nucl Res Dubna, Theoret Phys Lab, Dubna, Russia. RP Radyushkin, AV (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM radyush@jlab.org NR 34 TC 91 Z9 91 U1 1 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 12 PY 2007 VL 650 IS 5-6 BP 421 EP 427 DI 10.1016/j.physletb.2007.05.044 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 193FK UT WOS:000248259600018 ER PT J AU Ramamoorthy, A Bird, JP Reno, JL AF Ramamoorthy, A. Bird, J. P. Reno, J. L. TI Using split-gate structures to explore the implementation of a coupled-electron-waveguide qubit scheme SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID QUANTUM WIRES; CHARGE QUBITS; TRANSPORT; SPIN; OSCILLATIONS; SPECTROSCOPY; STATES; DOTS AB We explore the use of the split-gate method to implement coupled-electron waveguides (CEWs), for possible application as a scalable qubit in quantum computing. Electron switching in these structures is found to be strongly influenced by structural asymmetry, which appears to arise quite naturally when using the split-gate method to implement complicated nanostructures. The consequences of the asymmetry are shown to depend strongly on the manner in which the input and output ports of the device are configured, and include unwanted decoherence due to geometry-induced scattering of electrons into regions outside of the classical current path. An approach to eliminating the influence of this asymmetry, to allow the realization of a 'balanced qubit', is also explored. C1 Arizona State Univ, Dept Elect Engn, Nanostruct Res Grp, Tempe, AZ 85287 USA. SUNY Buffalo, Dept Elect Engn, Buffalo, NY 14260 USA. Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Ramamoorthy, A (reprint author), Arizona State Univ, Dept Elect Engn, Nanostruct Res Grp, Tempe, AZ 85287 USA. EM arunkumar@asu.edu; jbird@buffalo.edu RI Bird, Jonathan/G-4068-2010 OI Bird, Jonathan/0000-0002-6966-9007 NR 37 TC 6 Z9 6 U1 1 U2 2 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 11 PY 2007 VL 19 IS 27 AR 276205 DI 10.1088/0953-8984/19/27/276205 PG 15 WC Physics, Condensed Matter SC Physics GA 188NN UT WOS:000247926700017 ER PT J AU Miyajima, K Yabushita, S Knickelbein, MB Nakajima, A AF Miyajima, Ken Yabushita, Satoshi Knickelbein, Mark B. Nakajima, Atsushi TI Stern-Gerlach experiments of one-dimensional metal-benzene sandwich clusters: M-n(C6H6)(m) (M = Al, Sc, Ti, and V) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ELECTRON-PARAMAGNETIC-RES; MULTIPLE-DECKER SANDWICH; X-ALPHA-MO; MAGNETIC-PROPERTIES; SPIN RELAXATION; FERROMAGNETIC CLUSTERS; IONIZATION ENERGIES; GAS-PHASE; COMPLEXES; TRANSITION AB A molecular beam of multilayer metal-benzene organometallic clusters M-n(C6H6)(m) (M = Al, Sc, Ti, and V) was produced by a laser vaporization synthesis method, and their magnetic deflections were measured. Multidecker sandwich clusters of transition-metal atoms and benzene Sc-n(C6H6)(n+1) (n = 1, 2) and V-n(C6H6)(n+1) (n = 1-4) possess magnetic moments that increase monotonously with n. The magnetic moments of Al(C6H6), Sc-n(C6H6)(n+1), and V-n(C6H6)(n+1) are smaller than that of their spin-only values as a result of intracluster spin relaxation, an effect that depends on the orbital angular momenta and bonding characters of the orbitals containing electron spin. While Ti(C6H6)(2) was found to be nonmagnetic, Ti-n(C6H6)(n+1) (n = 2, 3) possess nonzero magnetic moments. The mechanism of ferromagnetic spin ordering in M-2(C6H6)(3) (M = Sc, Ti, V) is discussed qualitatively in terms of molecular orbital analysis. These sandwich species represent a new class of one-dimensional molecular magnets in which the transition-metal atoms are formally zerovalent. C1 Keio Univ, Fac Sci & Technol, Dept Chem, Kohoku Ku, Yokohama, Kanagawa 2238522, Japan. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Keio Univ, CREST, Dept Chem, JST, Yokohama, Kanagawa 2238522, Japan. RP Nakajima, A (reprint author), Keio Univ, Fac Sci & Technol, Dept Chem, Kohoku Ku, 3-14-1 Hiyoshi, Yokohama, Kanagawa 2238522, Japan. EM nakajima@chem.keio.ac.jp RI Miyajima, Ken/C-8422-2013; Yabushita, Satoshi/C-5784-2014 OI Miyajima, Ken/0000-0002-5385-8911; NR 66 TC 91 Z9 93 U1 0 U2 29 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 11 PY 2007 VL 129 IS 27 BP 8473 EP 8480 DI 10.1021/ja070137q PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 186DN UT WOS:000247759400025 PM 17579402 ER PT J AU Hayes, JR Nyce, GW Kuntz, JD Satcher, JH Hamza, AV AF Hayes, J. R. Nyce, G. W. Kuntz, J. D. Satcher, J. H. Hamza, A. V. TI Synthesis of bi-modal nanoporous Cu, CuO and Cu2O monoliths with tailored porosity SO NANOTECHNOLOGY LA English DT Article ID RANEY COPPER-CATALYSTS; GAS SHIFT REACTION; NANOPARTICLE AGGLOMERATION; POROUS MATERIALS; METHANOL; CRYSTALLIZATION; KINETICS; HYDROGEN; ETHANOL; REACTOR AB Nanoporous structures are exceptionally useful in catalytic, sensing and mechanical applications. However, precise control over the structure and composition of the nanoporous material is critical for the material to behave as desired. We report here a new bottom-up synthesis technique termed filter-casting for the creation of large scale (>1 cm) nanoporous structures which provide this precise control. Cu, CuO and Cu2O and bi-modal macro/nanoporous Cu structures were created with this technique to demonstrate the range of materials and structures which can be formed into nanoporous monoliths. Homogeneous nanoporous monoliths are synthesized using nanoparticles, and bi-modal or higher-order porosities are achieved using a sacrificial polystyrene template. The higher-order pore size is determined by the polystyrene particle diameter, and the nanopore size is set by the diameter of the nanoparticles. Surface areas as high as 34 m(2) g(-1), and relative densities between 12 and 58%, have been achieved. Filter-casting is a powerful new method for directly synthesizing large nanoporous monoliths with predetermined composition, pore size and pore structure. C1 Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. Arizona State Univ, Sch Mat, Tempe, AZ 85287 USA. RP Hayes, JR (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, 7000 East Ave, Livermore, CA 94550 USA. EM Joel.Hayes@asu.edu NR 29 TC 23 Z9 25 U1 6 U2 43 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD JUL 11 PY 2007 VL 18 IS 27 AR 275602 DI 10.1088/0957-4484/18/27/275602 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 179MQ UT WOS:000247294300005 ER PT J AU Bolte, WJ Collar, JI Crisler, M Hall, J Holmgren, D Nakazawa, D Odom, B O'Sullivan, K Plunkett, R Ramberg, E Raskin, A Sonnenschein, A Vieira, JD AF Bolte, W. J. Collar, J. I. Crisler, M. Hall, J. Holmgren, D. Nakazawa, D. Odom, B. O'Sullivan, K. Plunkett, R. Ramberg, E. Raskin, A. Sonnenschein, A. Vieira, J. D. TI Development of bubble chambers with enhanced stability and sensitivity to low-energy nuclear recoils SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE dark matter; WIMPs; bubble chambers ID SUPERHEATED DROP DETECTOR; DARK-MATTER; SEARCH; LIQUIDS AB The viabilitv of using Bubble Chambers as dark matter particle detectors is considered. Techniques leading to the enhanced chamber stabilitv needed for this new application are described in detail. Prototype trials show that sensitivity to the low-energy nuclear recoils induced by Weakly Interacting Massive Particles (WIMP) is possible in conditions of extreme insensitivity to minimum ionizing backgrounds. An understanding of detector response is demonstrated using existing theoretical models. We briefly comment on the prospects for detection of supersymmetric dark matter with large CF3I chambers. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Chicago, Enrico Fermi Inst, Dept Phys, Chicago, IL 60637 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Collar, JI (reprint author), Univ Chicago, Enrico Fermi Inst, Dept Phys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM collar@uchicago.edu OI Odom, Brian/0000-0002-3992-8864; Holmgren, Donald/0000-0001-6701-7737 NR 40 TC 20 Z9 20 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 11 PY 2007 VL 577 IS 3 BP 569 EP 573 DI 10.1016/j.nima.2007.04.149 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 193TV UT WOS:000248298800014 ER PT J AU Flaska, M Pozzi, SA AF Flaska, M. Pozzi, S. A. TI Identification of shielded neutron sources with the liquid scintillator BC-501A using a digital pulse shape discrimination method SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron source identification; liquid scintillator; waveform digitizer; pulse shape discrimination ID N-GAMMA DISCRIMINATION; TIME DEPENDENCE; SPECTROMETRY; DETECTORS; NE213; SIZE AB Fast and unambiguous identification of shielded neutron sources is of paramount importance in nuclear nonproliferation and international safeguards applications. Usually, the identification of neutron spectra relies on unfolding procedures that are unstable and time consuming. In this paper, we present a new application of an existing technique, which can be used for neutron source identification by direct analysis of the pulse height spectrum, i.e., without resorting to energy spectrum unfolding. This technique is based on the acquisition of neutron and gamma-ray pulses by using a liquid scintillation detector and a fast waveform digitizer. An optimized digital pulse shape discrimination method based on standard charge integration is used to discriminate neutrons from gamma-rays. The neutron pulses are then analyzed to generate a pulse height distribution. The accuracy of the neutron source identification technique was tested on three neutron sources: Cf-252, Am-Be, and Am-Li. Several source-shielding configurations were tested to assess the influence of potential shielding of the source and the sensitivity of the technique. For this investigation, lead and polyethylene shielding blocks were used. The measured pulse height distributions were compared with the distributions simulated with the MCNP-PoliMi code, and very good agreement was obtained. The results show that for both shielded and unshielded configurations the identification of Cf-252, Am-Be, and Am-Li shielded sources is easily achievable by direct analysis of the measured pulse height distributions, without the need of subsequent neutron energy spectrum unfolding. (c) 2007 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Pozzi, SA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM pozzisa@ornl.gov NR 20 TC 63 Z9 63 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 11 PY 2007 VL 577 IS 3 BP 654 EP 663 DI 10.1016/j.nima.2007.04.141 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 193TV UT WOS:000248298800024 ER PT J AU Hsiao, EY Conley, A Howell, DA Sullivan, M Pritchet, CJ Carlberg, RG Nugent, PE Phillips, MM AF Hsiao, E. Y. Conley, A. Howell, D. A. Sullivan, M. Pritchet, C. J. Carlberg, R. G. Nugent, P. E. Phillips, M. M. TI K-corrections and spectral templates of type Ia supernovae SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; supernovae : general ID PRINCIPAL COMPONENT ANALYSIS; HIGH-REDSHIFT SUPERNOVAE; HUBBLE-SPACE-TELESCOPE; SPECTROSCOPIC OBSERVATIONS; COSMOLOGICAL CONSTANT; LEGACY SURVEY; DARK ENERGY; B-BAND; DIVERSITY; UNIVERSE AB With the advent of large dedicated Type Ia supernova (SN Ia) surveys, K-corrections of SNe Ia and their uncertainties have become especially important in the determination of cosmological parameters. While K-corrections are largely driven by SN Ia broadband colors, it is shown here that the diversity in spectral features of SNe Ia can also be important. For an individual observation, the statistical errors from the inhomogeneity in spectral features range from 0.01 ( where the observed and rest-frame filters are aligned) to 0.04 ( where the observed and rest-frame filters are misaligned). To minimize the systematic errors caused by an assumed SN Ia spectral energy distribution ( SED), we outline a prescription for deriving a mean spectral template time series that incorporates a large and heterogeneous sample of observed spectra. We then remove the effects of broadband colors and measure the remaining uncertainties in the K-corrections associated with the diversity in spectral features. Finally, we present a template spectroscopic sequence near maximum light for further improvement on the K-correction estimate. A library of similar to 600 observed spectra of similar to 100 SNe Ia from heterogeneous sources is used for the analysis. C1 Univ Victoria, Dept Phys & Astron, Victoria, BC V8W 3P6, Canada. Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Carnegie Observ, Las Campanas Observ, La Serena, Chile. RP Hsiao, EY (reprint author), Univ Victoria, Dept Phys & Astron, POB 3055, Victoria, BC V8W 3P6, Canada. RI Carlberg, Raymond/I-6947-2012 OI Carlberg, Raymond/0000-0002-7667-0081 NR 50 TC 133 Z9 133 U1 0 U2 5 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD JUL 10 PY 2007 VL 663 IS 2 BP 1187 EP 1200 DI 10.1086/518232 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 189PR UT WOS:000248001500040 ER PT J AU Corbett, MC Hu, YL Fay, AW Tsuruta, H Ribbe, MW Hodgson, KO Hedman, B AF Corbett, Mary C. Hu, Yilin Fay, Aaron W. Tsuruta, Hiro Ribbe, Markus W. Hodgson, Keith O. Hedman, Britt TI Conformational differences between Azotobacter vinelandii nitrogenase MoFe proteins as studied by small-angle X-ray scattering SO BIOCHEMISTRY LA English DT Article ID IRON-MOLYBDENUM-COFACTOR; FEMO-COFACTOR; P-CLUSTER; BIOLOGICAL MACROMOLECULES; STRUCTURAL-CHANGES; ALPHA-SUBUNIT; BINDING-SITE; DELTA-NIFB; FIXATION; BIOSYNTHESIS AB The nitrogenase MoFe protein is a heterotetramer containing two unique high-nuclearity metalloclusters, FeMoco and the P-cluster. FeMoco is assembled outside the MoFe protein, whereas the P-cluster is assembled directly on the MoFe protein polypeptides. MoFe proteins isolated from different genetic backgrounds have been analyzed using biochemical and spectroscopic techniques in attempting to elucidate the pathway of P-cluster biosynthesis. The Delta nifH MoFe protein is less stable than other MoFe proteins and has been shown by extended X-ray absorption fine structure studies to contain a variant P-cluster that most likely exists as two separate [Fe4S4]-like clusters instead of the subunit-bridging [Fe8S7] cluster found in the wild-type and Delta nifB forms of the MoFe protein [Corbett, M. C., et al. (2004) J. Biol. Chem. 279, 28276-28282]. Here, a combination of small-angle X-ray scattering and Fe chelation studies is used to show that there is a correlation between the state of the P-cluster and the conformation of the MoFe protein. The Delta nifH MoFe protein is found to be larger than the wild-type or Delta nifB MoFe proteins, an increase in size that can be modeled well by an opening of the subunit interface consistent with P-cluster fragmentation and solvent exposure. Importantly, this opening would allow for the insertion of P-cluster precursors into a region of the MoFe protein that is buried in the wild-type conformation. Thus, Delta nifH MoFe protein could represent an early intermediate in MoFe protein biosynthesis where the P-cluster precursors have been inserted, but P-cluster condensation and tetramer stabilization have yet to occur. C1 Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Stanford Univ, SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Ribbe, MW (reprint author), Univ Calif Irvine, Dept Mol Biol & Biochem, Irvine, CA 92697 USA. EM mribbe@uci.edu; hodgson@ssrl.slac.stanford.edu; hedman@ssrl.slac.stanford.edu FU NCRR NIH HHS [RR-01209]; NIGMS NIH HHS [GM-67626] NR 48 TC 10 Z9 10 U1 2 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 10 PY 2007 VL 46 IS 27 BP 8066 EP 8074 DI 10.1021/bi7005064 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 184YE UT WOS:000247677700014 PM 17567155 ER PT J AU Thallapally, PK McGrail, BP Atwood, JL Gaeta, C Tedesco, C Neri, P AF Thallapally, Praveen K. McGrail, B. Peter Atwood, Jerry L. Gaeta, Carmine Tedesco, Consiglia Neri, Placido TI Carbon dioxide capture in a self-assembled organic nanochannels SO CHEMISTRY OF MATERIALS LA English DT Article ID HYDROGEN; ADSORPTION; METHANE; STORAGE; CRYSTALLINE; FRAMEWORKS; NANOTUBES AB The uptake of carbon dioxide was studied in porous organic solid, p-tert-butylcalix[4] dihydroquinone, in which all calixarenes are self-assembled in a tubular fashion via strong hydrogen bonds. the BET surface area of porous material was found to be 230 m(2)/g. This represents another rare example in which purely organic crystals can be designed to store and separate gas mixtures. C1 Pacific NW Natl Lab, Environm Technol Directorate, Richland, WA 99352 USA. Univ Missouri, Dept Chem, Columbia, MO 65211 USA. Univ Salerno, Dipartimento Chim, I-84084 Salerno, Italy. RP Thallapally, PK (reprint author), Pacific NW Natl Lab, Environm Technol Directorate, Richland, WA 99352 USA. EM praveen.thallapally@pnl.gov; pete.mcgrail@pnl.gov; neri@unisa.it RI Tedesco, Consiglia/B-2296-2013; thallapally, praveen/I-5026-2014; OI thallapally, praveen/0000-0001-7814-4467; Gaeta, Carmine/0000-0002-2160-8977 NR 21 TC 81 Z9 83 U1 0 U2 30 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 10 PY 2007 VL 19 IS 14 BP 3355 EP 3357 DI 10.1021/cm0709121 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 184YI UT WOS:000247678100001 ER PT J AU Cramer, JF Nordberg, PA Hajdu, J Lejon, S AF Cramer, Jacob Flyvholm Nordberg, Peter A. Hajdu, Janos Lejon, Sara TI Crystal structure of a bacterial albumin-binding domain at 1.4 angstrom resolution SO FEBS LETTERS LA English DT Article DE GA module; peptostreptococcal albumin-binding protein; human serum albumin; bacterial mimicry; X-ray crystallography ID PROTEIN PAB; REFINEMENT; MODULE; SPECIFICITY AB The albumin-binding domain, or GA module, of the peptostreptococcal albumin-binding protein expressed in pathogenic strains of Finegoldia magna is believed to be responsible for the virulence and increased growth rate of these strains. Here we present the 1.4 angstrom crystal structure of this domain, and compare it with the crystal structure of the GA-albumin complex. An analysis of protein-protein interactions in the two crystals, and the presence of multimeric GA species in solution, indicate the GA module is "sticky", and is capable of forming contacts with a range of protein surfaces. This might lead to interactions with different host proteins. (C) 2007 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved. C1 Uppsala Univ, Dept Cell & Mol Biol, Biomed Ctr, SE-75124 Uppsala, Sweden. Univ Aalborg, Dept Life Sci, DK-9000 Aalborg, Denmark. Astra Tech, SE-43121 Molndal, Sweden. Stanford Univ, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Lejon, S (reprint author), Uppsala Univ, Dept Cell & Mol Biol, Biomed Ctr, Box 596, SE-75124 Uppsala, Sweden. EM sara@xray.bmc.uu.se NR 18 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0014-5793 J9 FEBS LETT JI FEBS Lett. PD JUL 10 PY 2007 VL 581 IS 17 BP 3178 EP 3182 DI 10.1016/j.febslet.2007.06.003 PG 5 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 191QJ UT WOS:000248145800008 PM 17575979 ER PT J AU Elphic, RC Eke, VR Teodoro, LFA Lawrence, DJ Bussey, DBJ AF Elphic, R. C. Eke, V. R. Teodoro, L. F. A. Lawrence, D. J. Bussey, D. B. J. TI Models of the distribution and abundance of hydrogen at the lunar south pole SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID IMAGE-RECONSTRUCTION; ICE DEPOSITS; WATER ICE; PIXON; MOON; TOPOGRAPHY; CRATERS; MERCURY AB Permanently shadowed locations at the lunar poles are potential sites for significant concentrations of cold-trapped volatiles, including water ice. Hydrogen enhancements are seen at the poles, but the physical form, abundance and distribution of this hydrogen remains controversial. Using a pixon-based image reconstruction algorithm to effectively improve spatial resolution, we derive maps of the lunar south polar water-equivalent hydrogen concentration that are fully consistent with the orbital neutron measurements, with abundances greater than 0.5 wt% in some permanently shadowed locations. This is much greater than the highest solar wind hydrogen abundance in returned lunar samples, and may indicate ice between regolith grains. If the hydrogen distribution is inhomogeneous within a permanently shadowed crater, then even higher abundances are implied. In Shackleton crater, for example, the derived count rates are consistent with 10% of the crater floor area having 20-wt% water-equivalent hydrogen, and the remainder at 0.25 wt%. C1 Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM 87545 USA. Univ Durham, Dept Phys, Durham DH1 3LE, England. Univ Glasgow, Dept Phys & Astron, Astron & Astrophys Grp, Glasgow G12 8QQ, Lanark, Scotland. Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. RP Elphic, RC (reprint author), Los Alamos Natl Lab, Space Sci & Applicat Grp, Mail Stop D466, Los Alamos, NM 87545 USA. EM relphic@lanl.gov RI Lawrence, David/E-7463-2015 OI Lawrence, David/0000-0002-7696-6667 NR 29 TC 31 Z9 31 U1 0 U2 5 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 10 PY 2007 VL 34 IS 13 AR L13204 DI 10.1029/2007GL029954 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 189YG UT WOS:000248024000005 ER PT J AU Hansell, RA Ou, SC Liou, KN Roskovensky, JK Tsay, SC Hsu, C Ji, Q AF Hansell, R. A. Ou, S. C. Liou, K. N. Roskovensky, J. K. Tsay, S. C. Hsu, C. Ji, Q. TI Simultaneous detection/separation of mineral dust and cirrus clouds using MODIS thermal infrared window data (vol 34, art no L13802, 2007) SO GEOPHYSICAL RESEARCH LETTERS LA English DT Correction C1 Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. RP Hansell, RA (reprint author), Univ Calif Los Angeles, Dept Atmospher & Ocean Sci, Los Angeles, CA 90095 USA. RI Tsay, Si-Chee/J-1147-2014; Hansell, Richard/J-2065-2014 NR 1 TC 2 Z9 2 U1 0 U2 1 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 10 PY 2007 VL 34 IS 13 AR L13802 DI 10.1029/2007GL031035 PG 1 WC Geosciences, Multidisciplinary SC Geology GA 189YG UT WOS:000248024000007 ER PT J AU Varghese, SS Frankel, SH Fischer, PF AF Varghese, Sonu S. Frankel, Steven H. Fischer, Paul F. TI Direct numerical simulation of stenotic flows. Part 1. Steady flow SO JOURNAL OF FLUID MECHANICS LA English DT Article ID LAMINAR-TURBULENT TRANSITION; MODERATE REYNOLDS-NUMBERS; PULSATILE FLOW; PIPE-FLOW; ARTERIAL STENOSES; CONSTRICTED TUBE; VASCULAR MURMURS; FLUID-MECHANICS; BLOOD-FLOW; PRESSURE AB Direct numerical simulations (DNS) of steady and pulsatile flow through 75% (by area reduction) stenosed tubes have been performed, with the motivation of understanding the biofluid dynamics of actual stenosed arteries. The spectral-element method, providing geometric flexibility and high-order spectral accuracy, was employed for the simulations. The steady flow results are examined here while the pulsatile flow analysis is dealt with in Part 2 of this study. At inlet Reynolds numbers of 500 and 1000, DNS predict a laminar flow field downstream of an axisymmetric stenosis and comparison to previous experiments show good agreement in the immediate post-stenotic region. The introduction of a geometric perturbation within the current model, in the form of a stenosis eccentricity that was 5 % of the main vessel diameter at the throat, resulted in breaking of the symmetry of the post-stenotic flow field by causing the jet to deflect towards the side of the eccentricity and, at a high enough Reynolds number of 1000, jet breakdown occurred in the downstream region. The flow transitioned to turbulence about five diameters away from the stenosis, with velocity spectra taking on a broadband nature, acquiring a -5/3 slope that is typical of turbulent flows. Transition was accomplished by the breaking up of streamwise, hairpin vortices into a localized turbulent spot, reminiscent of the turbulent puff observed in pipe flow transition, within which r.m.s. velocity and turbulent energy levels were highest. Turbulent fluctuations and energy levels rapidly decayed beyond this region and flow relaminarized. The acceleration of the fluid through the stenosis resulted in wall shear stress (WSS) magnitudes that exceeded upstream levels by more than a factor of 30 but low WSS levels accompanied the flow separation zones that formed immediately downstream of the stenosis. Transition to turbulence in the case of the eccentric stenosis was found to be manifested as large temporal and spatial gradients of shear stress, with significant axial and circumferential variations in instantaneous WSS. C1 Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Varghese, SS (reprint author), Purdue Univ, Sch Mech Engn, 585 Purdue Mall, W Lafayette, IN 47907 USA. NR 54 TC 68 Z9 69 U1 2 U2 27 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD JUL 10 PY 2007 VL 582 BP 253 EP 280 DI 10.1017/S0022112007005848 PG 28 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 189KZ UT WOS:000247989100012 ER PT J AU Varghese, SS Frankel, SH Fischer, PF AF Varghese, Sonu S. Frankel, Steven H. Fischer, Paul F. TI Direct numerical simulation of stenotic flows. Part 2. Pulsatile flow SO JOURNAL OF FLUID MECHANICS LA English DT Article ID LAMINAR-TURBULENT TRANSITION; PIPE-FLOW; STENOSES; VELOCITY; STEADY; WALL; PRESSURE; ARTERIES; SPECTRA; CHANNEL AB Direct numerical simulations (DNS) of stenotic flows under conditions of steady inlet flow were discussed in Part I of this study. DNS of pulsatile flow through the 75 % stenosed tube (by area) employed for the computations in Part I is examined here. Analogous to the steady flow results, DNS predicts a laminar post-stenotic flow field in the case of pulsatile flow through the axisymmetric stenosis model, in contrast to previous experiments, in which intermittent disturbed flow regions and turbulent breakdown were observed in the downstream region. The introduction of a stenosis eccentricity, that was 5 % of the main vessel diameter at the throat, resulted in periodic, localized transition to turbulence. Analysis in this study indicates that the early and mid-acceleration phases of the time period cycle were relatively stable, with no turbulent activity in the post-stenotic region. However, towards the end of acceleration, the starting vortex, formed earlier as the fluid accelerated through the stenosis at the beginning of acceleration, started to break up into elongated streamwise structures. These streamwise vortices broke down at peak flow, forming a turbulent spot in the post-stenotic region. In the early part of deceleration there was intense turbulent activity within this spot. Past the mid-deceleration phase, through to minimum flow, the inlet flow lost its momentum and the flow field began to relaminarize. The start of acceleration in the following cycle saw a recurrence of the entire process of a starting structure undergoing turbulent breakdown and subsequent relaminarization of the post-stenotic flow field. Peak wall shear stress (WSS) levels occurred at the stenosis throat, with the rest of the vessel experiencing much lower levels. Turbulent breakdown at peak flow resulted in a sharp amplification of instantaneous WSS magnitudes across the region corresponding to the turbulent spot, accompanied by large axial and circumferential fluctuations, even while ensemble-averaged axial shear stresses remained mostly low and negative. WSS levels dropped rapidly after the mid-deceleration phase, when the relaminarization process took over, and were almost identical to laminar, axisymmetric shear levels through most of the acceleration phase. C1 Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Varghese, SS (reprint author), Purdue Univ, Sch Mech Engn, 585 Purdue Mall, W Lafayette, IN 47907 USA. NR 30 TC 45 Z9 45 U1 0 U2 19 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD JUL 10 PY 2007 VL 582 BP 281 EP 318 DI 10.1017/S0022112007005836 PG 38 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 189KZ UT WOS:000247989100013 ER PT J AU Wang, HL Turner, JA AF Wang, Heli Turner, John A. TI SnO2 : F coated ferritic stainless steels for PEM fuel cell bipolar plates SO JOURNAL OF POWER SOURCES LA English DT Article DE bipolar plate; stainless steel; ferrite; tin oxide; PEMFC AB Ferrite stainless steels (AISI441. AISI1444, and AISI446) were successfully coated with 0.6 mu m thick SnO2:F by low-pressure chemical vapor deposition and investigated in simulated PEMFC environments. The results showed that a SnO2:F coating enhanced the corrosion resistance of the alloys in PEMFC environments, though the substrate steel has a significant influence on the behavior of the coating. ICP results from the testing solutions indicated that fresh AISI441 had the highest dissolution rates in both environments, and coating with SnO2:F significantly reduced the dissolution. Coating AISI444 also improved the corrosion resistance. Coating AISI446 steel further improved the already excellent corrosion resistance of this alloy. For coated steels, both potentiostatic polarizations and ICP results showed that the PEMFC cathode environment is much more corrosive than the anode one. More dissolved metallic ions were detected in solutions for PEMFC cathode environment than those in PEMFC anode environment. Sn2+ was detected for the coated AISI441 and AISI444 steels but not for coated AISI446, indicating that the corrosion resistance of the substrate has a significant influence on the dissolution of the coating. After coating, the ICR values of the coated steels increased compared to those of the fresh steels. The SnO2:F coating seems add an additional resistance to the native air-formed film on these stainless steels. Published by Elsevier B.V. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, HL (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM heli_wang@nrel.gov NR 15 TC 35 Z9 38 U1 0 U2 5 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 10 PY 2007 VL 170 IS 2 BP 387 EP 394 DI 10.1016/j.jpowsour.2007.04.028 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 185BI UT WOS:000247685900018 ER PT J AU Chou, YS Stevenson, JW Gow, RN AF Chou, Yeong-Shyung Stevenson, Jeffry W. Gow, Robert N. TI Novel alkaline earth silicate sealing glass for SOFC - Part II. Sealing and interfacial microstructure SO JOURNAL OF POWER SOURCES LA English DT Article DE glass seal; SOFC; leak rate; interface; composite ID OXIDE FUEL-CELLS; CHEMICAL INTERACTIONS; COMPRESSIVE SEALS; CERAMIC SEALANTS; STACK CONDITIONS AB This is the second part of a study of a novel Sr-Ca-Ni-Y-B silicate sealing glass for solid oxide fuel cells (SOFC). Part I of the study addresses the effect of NiO on glass forming, thermal, and mechanical properties, and is presented in the preceding paper. In this paper (part II), candidate composite glass with 10 vol.% NiO was tested for sealing standard coupons of Ni/YSZ anode-supported YSZ electrolyte bilayer and metallic interconnect Crofer22APU at various temperatures. Samples sealed at the highest temperature (1050 degrees C) showed hermetic seal after fully reduction and 10 thermal cycles. The interfacial microstructure characterization showed no distinct reactions at the interfaces of glass/YSZ or glass/metal, though some segregation of Ni was found along the glass/metal interface. Possible reactions were discussed. Overall the composite glass with 10 vol.% NiO appeared to be a good candidate for SOFC sealing. (c) 2007 Published by Elsevier B.V. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. Montana Tech Univ, Community Coll Inst, Off Sci, Butte, MT 59701 USA. RP Chou, YS (reprint author), K2-44,PNNL,POB 999, Richland, WA 99354 USA. EM yeong-shyung.chou@pnl.gov NR 21 TC 33 Z9 33 U1 1 U2 13 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 10 PY 2007 VL 170 IS 2 BP 395 EP 400 DI 10.1016/j.jpowsour.2007.03.060 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 185BI UT WOS:000247685900019 ER PT J AU Lu, C Hu, JZ Kwak, JH Yang, ZG Ren, RM Markmaitree, T Shaw, LL AF Lu, Chun Hu, Jianzhi Kwak, Ja Hun Yang, Zhenguo Ren, Ruiming Markmaitree, Tippawan Shaw, Leon L. TI Study the effects of mechanical activation on Li-N-H systems with H-1 and Li-6 solid-state NMR SO JOURNAL OF POWER SOURCES LA English DT Article DE hydrogen storage; H-1 NMR; Li-6 NMR; lithium amide and hydride; chemical shifts ammonia ID HYDROGEN STORAGE PROPERTIES; LITHIUM HYDRIDE; AMIDE; TEMPERATURE; IMIDE; LINH2 AB To gain insight into the effects of mechanical activation (MA) on the hydrogen desorption of the lithium amide (LiNH2) and lithium hydride (LiH) mixture. LiNH2 and LiH + LiNH2 were mechanically activated by high-energy ball milling. The formed products were studied with in situ H-1 and Li-6 nuclear magic angle spinning (MAS) magnetic resonance (NMR) spectroscopy from ambient temperature to 180 degrees C. Up-field chemical shift was observed in Li-6 MAS NMR spectra with increased milling time, indicating that average local electronic structure around Li nuclei was modified during MA. H-1 MAS NMR was used to dynamically probe ammonia release from the activated LiNH2 at temperature as low as 50 degrees C. In the case of activated LiH + LiNH2 mixtures, the H-1 MAS NMR results implied that MA enhanced the dehydrogenation reaction of LiNH2 + LiH = Li2NH + H-2. (c) 2007 Elsevier B.V All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Connecticut, Dept Mat Sci & Engn, Storrs, CT 06269 USA. Dalian Jiaotong Univ, Sch Mat Sci & Engn, Dalian 116028, Peoples R China. RP Lu, C (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM chun.lu@pnl.gov RI Hu, Jian Zhi/F-7126-2012; Kwak, Ja Hun/J-4894-2014 NR 27 TC 20 Z9 20 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD JUL 10 PY 2007 VL 170 IS 2 BP 419 EP 424 DI 10.1016/j.jpowsour.2007.02.080 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 185BI UT WOS:000247685900022 ER PT J AU Abraham, DP Knuth, JL Dees, DW Bloom, I Christophersen, JP AF Abraham, D. P. Knuth, J. L. Dees, D. W. Bloom, I. Christophersen, J. P. TI Performance degradation of high-power lithium-ion cells- Electrochemistry of harvested electrodes SO JOURNAL OF POWER SOURCES LA English DT Article DE high-power; lithium-ion; impedance rise; capacity fade ID IMPEDANCE RISE; ACCELERATED CALENDAR; CATHODE COMPOSITION; CYCLE LIFE; FADE AB The performance of 18650-type high-power lithium-ion cells is being evaluated as part of the U.S. Department of Energy's (DOEs) Advanced Technology Development (ATD) program. In this article, we present accelerated aging data acquired on 18650-cells containing LiNi0.8Co1.5Al0.05O2 center dot or LiNi0.8Co0.1Al0.1O2-based positive electrodes. MAG-10 graphite-based negative electrodes, and 1.2-M LiPF6 in EC:EMC (3:7 by wt.) electrolyte. Capacity and impedance data acquired on electrodes harvested from these cells highlight the contributions of the positive and negative electrodes to the degradation of cell performance. We also describe test methodologies used to examine the electrochemical characteristics of the harvested electrodes. Identifying and optimizing cell components responsible for performance degradation should enable the development of new lithium-ion cell chemistries that will meet the 15-year cell calendar life goal established by DOEs FreedomCar initiative. Published by Elsevier B.V. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Abraham, DP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abraham@cmt.anl.gov NR 13 TC 69 Z9 74 U1 4 U2 48 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 10 PY 2007 VL 170 IS 2 BP 465 EP 475 DI 10.1016/j.jpowsour.2007.03.071 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 185BI UT WOS:000247685900029 ER PT J AU Kim, GH Pesaran, A Spotnitz, R AF Kim, Gi-Heon Pesaran, Ahmad Spotnitz, Robert TI A three-dimensional thermal abuse model for lithium-ion cells SO JOURNAL OF POWER SOURCES LA English DT Article DE Li-ion battery; thermal runaway; abuse modeling; battery modeling; hybrid electric vehicle ID BATTERIES; ELECTROLYTE; MECHANISMS; BEHAVIOR; SAFETY AB To understand further the thermal abuse behavior of large format Li-ion batteries for automotive applications, the one-dimensional modeling approach formulated by Hatchard et al. [T.D. Hatchard, D.D. MacNeil, A. Basu, J.R. Dahn, J. Electrochem. Soc. 148(7) (2001) A755-A761] was reproduced. Then it was extended to three dimensions so we could consider the geometrical features, which are critical in large cells for automotive applications. The three-dimensional model captures the shapes and dimensions of cell components and the spatial distributions of materials and temperatures, and is used to simulate oven tests, and to determine how a local hot spot can propagate through the cell. In simulations of oven abuse testing of cells with cobalt oxide cathode and graphite anode with standard LiPF6 electrolyte, the three-dimensional model predicts that thermal runaway will occur sooner or later than the lumped model, depending on the size of the cell. The model results showed that smaller cells reject heat faster than larger cells; this may prevent them from going into thermal runaway under identical abuse conditions. In simulations of local hot spots inside a large cylindrical cell, the three-dimensional model predicts that the reactions initially propagate in the azimuthal and longitudinal directions to form a hollow cylinder-shaped reaction zone. (c) 2007 Elsevier B.V. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Battery Design LLC, Pleasanton, CA 94588 USA. RP Kim, GH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM Gi_Heon_Kim@nrel.gov NR 20 TC 144 Z9 165 U1 31 U2 145 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 10 PY 2007 VL 170 IS 2 BP 476 EP 489 DI 10.1016/j.jpowsour.2007.04.018 PG 14 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 185BI UT WOS:000247685900030 ER PT J AU Gjersing, E Chinn, S Giuliani, JR Herberg, J Maxwell, RS Eastwood, E Bowen, D Stephens, T AF Gjersing, Erica Chinn, Sarah Giuliani, Jason R. Herberg, Julie Maxwell, Robert S. Eastwood, Eric Bowen, Dan Stephens, Tom TI Investigation of network heterogeneities in filled, trimodal, highly functional PDMS networks by H-1 multiple quantum NMR SO MACROMOLECULES LA English DT Article ID RESIDUAL DIPOLAR COUPLINGS; NUCLEAR-MAGNETIC-RESONANCE; CROSS-LINKED ELASTOMERS; SILICONE ELASTOMER; MODEL NETWORKS; POLY(DIMETHYLSILOXANE) NETWORKS; POLYMER NETWORKS; MOLECULAR ORDER; CHAIN-ORDER; SPECTROSCOPY AB The segmental order and dynamics of polymer network chains in a filled, trimodal silicone foam network have been studied by static H-1 multiple quantum (MQ) NMR methods to gain insight into the structure property relationships. The foam materials were synthesized with two different types of cross-links, with functionalities, phi, of 4 and near 60. The network chains were composed of distributions of high, low, and medium molecular weight chains. Cross-linking was accomplished by standard acid-catalyzed reactions. MQ NMR methods have detected domains with residual dipolar couplings () of near 4 and 1 krad/s assigned to (a) the shorter polymer chains and chains near the multifunctional (phi = 60) cross-linking sites and to (b) the longer polymer chains far from these sites. Three structural variables were systematically varied and the mechanical properties via compression and distributions of residual dipolar couplings measured in order to gain insight into the network structural motifs that contribute significantly to the composite properties. The partitioning and average values of the residual dipolar couplings for the two domains were observed to be dependent on formulation variables and provided increased insight into the network structure of these materials which are unavailable from swelling and spin-echo methods. The results of this study suggest that the domains with high cross-link density contribute significantly to the high strain modulus, while the low cross-link density domains do not. This is in agreement with theories and experimental studies on silicone bimodal networks over the last 20 years. In situ MQ-NMR of swollen samples suggests that the networks deform heterogeneously and nonaffinely. The heterogeneity of the deformation process was observed to depend on the amount of the high functionality cross-linking site PMHS. The NMR experiments shown here provide increased ability to characterize multimodal networks of typical engineering silicone foam materials and to gain significant insight into structure-property relationships. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Honeywell Fed Mfg & Technol Plant, Kansas City, MO USA. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. RP Maxwell, RS (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM Maxwell7@llnl.gov RI Chinn, Sarah/E-1195-2011; Stephens, Thomas/D-9512-2012 NR 45 TC 16 Z9 16 U1 2 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD JUL 10 PY 2007 VL 40 IS 14 BP 4953 EP 4962 DI 10.1021/ma0620924 PG 10 WC Polymer Science SC Polymer Science GA 184YK UT WOS:000247678300033 ER PT J AU Durkee, DA Gomez, ED Ellsworth, MW Bell, AT Balsara, NP AF Durkee, D. A. Gomez, E. D. Ellsworth, M. W. Bell, A. T. Balsara, N. P. TI Microstructure and solvent distribution in cross-linked diblock copolymer gels SO MACROMOLECULES LA English DT Article ID ANGLE NEUTRON-SCATTERING; ORGANOMETALLIC BLOCK-COPOLYMERS; NETWORKS; THERMODYNAMICS; POLYISOPRENE; DEPENDENCE; SANS AB Gels were created by irradiating poly(alpha-methylstyrene-block-isoprene) (PaMS-I) and poly(vinylferrocenium triflate-block-isoprene) (PVFT-I) copolymers with an electron beam and swelling the resulting cross-linked solids in good solvents. The radiation cross-links the polyisoprene (PI) block, induces chain scission of the poly(alpha-methylstyrene) block (PaMS), and has no effect on the poly(vinylferrocenium triflate) (PVTF) block. After extraction of un-cross-linked chains, the PaMS-I gels comprise solvent-filled, open channels inside a swollen PI network, while the swollen PVFT-I gels comprise channels of solvated PVFT chains inside a swollen PI network. The dependence of the structure, composition, and cross-linking density of the swollen microphases on radiation dose is determined by combining small-angle neutron scattering experiments with conventional gel characterization methods. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Div Mat Sci, Environm Energy Technol Div, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Tyco Elect Corp, Menlo Pk, CA 94025 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM alexbell@berkeley.edu; nbalsara@berkeley.edu RI Gomez, Enrique/E-5887-2013; OI Bell, Alexis/0000-0002-5738-4645 NR 35 TC 9 Z9 9 U1 0 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD JUL 10 PY 2007 VL 40 IS 14 BP 5103 EP 5110 DI 10.1021/ma0629485 PG 8 WC Polymer Science SC Polymer Science GA 184YK UT WOS:000247678300049 ER PT J AU Kuppa, VK in't Veld, PJ Rutledge, GC AF Kuppa, Vikram K. in't Veld, Pieter J. Rutledge, Gregory C. TI Monte Carlo simulation of interlamellar isotactic polypropylene SO MACROMOLECULES LA English DT Article ID X-RAY-SCATTERING; MOLECULAR SIMULATION; CHAIN MOLECULES; ATOMISTIC SIMULATION; LINEAR POLYETHYLENE; POLYMERS; PHASE; CRYSTALS; STATE; CRYSTALLIZATION AB Monte Carlo molecular simulations are reported to investigate the amorphous region between crystalline lamellae of isotactic polypropylene (iPP). It is the first such study in which consideration is given to the nature of pendant side groups on the polymer chain. The crystalline lamellae are modeled after the alpha(2) crystal of iPP, while the interphase and amorphous domains are equilibrated with respect to both spatial and topological degrees of freedom. A united atom force field is used to describe the interactions between the methyl, methylene, and methyne moieties that constitute a polypropylene molecule. Mass density and bond orientational order profiles, distributions of chain populations, interphase thicknesses, interfacial energies, local conformations as characterized by torsional angle sequences, and chain reentry statistics are studied for three different temperatures. Our results match well with the available experimental data and provide a molecular level understanding of the semicrystalline interphase for isotactic polypropylene. A comparison with linear polyethylene (PE) reveals the effects of chemical architecture on the crystal-amorphous interphase in semicrystalline polymers. C1 MIT, Dept Chem Engn, Cambridge, MA 02139 USA. RP Rutledge, GC (reprint author), Sandia Natl Labs, MS 1415, Albuquerque, NM 87185 USA. EM rutledge@mit.edu NR 44 TC 15 Z9 15 U1 2 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD JUL 10 PY 2007 VL 40 IS 14 BP 5187 EP 5195 DI 10.1021/ma0703958 PG 9 WC Polymer Science SC Polymer Science GA 184YK UT WOS:000247678300061 ER PT J AU Mitchell, DA Morton, SU Fernhoff, NB Marletta, MA AF Mitchell, Douglas A. Morton, Sarah U. Fernhoff, Nathaniel B. Marletta, Michael A. TI Thioredoxin is required for S-nitrosation of procaspase-3 and the inhibition of apoptosis in Jurkat cells SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE nitric oxide; signal transcluction; programmed cell death; S-nitrosylation ID NITRIC-OXIDE SYNTHASE; PROTEIN DISULFIDE-ISOMERASE; CRYSTAL-STRUCTURES; T-LYMPHOCYTES; NITROSYLATION; NITROSOTHIOLS; MECHANISM; CATALYZES; DENITROSATION; ACTIVATION AB S-nitrosation is a posttranslational, oxidative addition of NO to cysteine residues of proteins that has been proposed as a cGMP-independent signaling pathway [Hess DT, Matsumoto A, Kim SO, Marshall HE, Stamler JS (2005) Nat Rev Mol Cell Biol 6:150-166]. A paradox of S-nitrosation is that only a small set of reactive cysteines are modified in vivo despite the promiscuous reactivity NO exhibits with thiols, precluding the reaction of free NO as the primary mechanism of S-nitrosation. Here we show that a specific transnitrosation reaction between procaspase-3 and thioredoxin-1 (Trx) occurs in cultured human T cells and prevents apoptosis. Trx participation in catalyzing transnitrosation reactions in cells may be general because this protein has numerous protein-protein interactions and plays a key role in cellular redox homeostasis [Powis G, Montfort WR (2001) Annu Rev Pharmacol Toxicol 41:261295], nitrosothiol content in cells [Haendeler J, Hoffmann J, Tischler V, Berk BC, Zeiher AM, Dimmeler S (2002) Nat Cell Biol 4:743-749], and antiapoptotic signaling. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys Biosci, Berkeley, CA 94720 USA. Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94158 USA. RP Marletta, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Berkeley, CA 94720 USA. EM marletta@berkeley.edu RI Mitchell, Doug/B-6349-2012; Mitchell, Douglas/C-4400-2011 OI Mitchell, Doug/0000-0002-9564-0953; NR 41 TC 84 Z9 91 U1 0 U2 2 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 10 PY 2007 VL 104 IS 28 BP 11609 EP 11614 DI 10.1073/pnas.0704898104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 190MQ UT WOS:000248063400019 PM 17606900 ER PT J AU Bae, JU Lin, TY Yoon, Y Kim, SJ Bird, JP Imre, A Porod, W Reno, JL AF Bae, J.-U. Lin, T.-Y. Yoon, Y. Kim, S. J. Bird, J. P. Imre, A. Porod, W. Reno, J. L. TI Large hysteretic magnetoresistance in high-mobility semiconductor quantum wires bridged by single-domain nanomagnets SO APPLIED PHYSICS LETTERS LA English DT Article ID 2-DIMENSIONAL ELECTRON-GAS; MAGNETIC BARRIERS; TRANSPORT AB The authors discuss hysteresis in the magnetoresistance of hybrid semiconductor/ferromagnetic devices composed of high-mobility semiconductor quantum wires (QWs) bridged by single-domain Co nanomagnets (NMs). This hysteresis is shown to be consistent with the ballistic transport of electrons in the QW through the nonuniform magnetic field generated by the NM. It is also found to be strongly dependent on tilt angle, suggestive of a transition between easy- and hard-axis magnetizations. (C) 2007 American Institute of Physics. C1 Univ Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. Univ Notre Dame, Dept Elect Engn, Notre Dame, IN 46556 USA. Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. RP Bae, JU (reprint author), Univ Buffalo, Dept Elect Engn, Buffalo, NY 14216 USA. EM jbird@buffalo.edu RI Bird, Jonathan/G-4068-2010; Joshi-Imre, Alexandra/A-2912-2010 OI Bird, Jonathan/0000-0002-6966-9007; Joshi-Imre, Alexandra/0000-0002-4271-1623 NR 25 TC 11 Z9 11 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 9 PY 2007 VL 91 IS 2 AR 022105 DI 10.1063/1.2756270 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300036 ER PT J AU Choi, Y Yoo, YZ Chmaissem, O Ullah, A Kolesnik, S Kimball, CW Haskel, D Jiang, JS Bader, SD AF Choi, Y. Yoo, Y. Z. Chmaissem, O. Ullah, A. Kolesnik, S. Kimball, C. W. Haskel, D. Jiang, J. S. Bader, S. D. TI Ferromagnetic mn moments at SrRuO3/SrMnO3 interfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID EXCHANGE BIAS; THIN-FILMS; ANISOTROPY; OXIDES AB Using element-specific, x-ray probes of magnetism the authors observe a net ferromagnetic moment from Mn in SrRuO3/SrMnO3 (SRO/SMO) superlattice films. It is found that the magnetic behavior of the SRO and SMO layers is significantly modified by their exchange interaction. Bulk magnetometry shows a two-step, easy-axis magnetization reversal process and x-ray measurements confirm that the reversal with higher coercivity involves the magnetization in the SMO layers. The results provide strong evidence for the presence of pinned SRO magnetization at the SRO/SMO interface. Angle-dependent measurements reveal that the net Mn moment is due to a canted antiferromagnetic spin configuration in the SMO layers. (C) 2007 American Institute of Physics. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. No Illinois Univ, Dept Phys, Inst NanoSci Engn & Technol, De Kalb, IL 60115 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Choi, Y (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yschoi@anl.gov RI Bader, Samuel/A-2995-2013 NR 23 TC 14 Z9 14 U1 0 U2 31 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 9 PY 2007 VL 91 IS 2 AR 022503 DI 10.1063/1.2753100 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300049 ER PT J AU Choi, Y Jiang, JS Pearson, JE Bader, SD Liu, JP AF Choi, Y. Jiang, J. S. Pearson, J. E. Bader, S. D. Liu, J. P. TI Origin of recoil hysteresis loops in Sm-Co/Fe exchange-spring magnets SO APPLIED PHYSICS LETTERS LA English DT Article ID PERMANENT-MAGNETS; ENERGY PRODUCT; THIN-FILMS; MAGNETIZATION AB Open recoil loops are often interpreted as a consequence of a breakdown in exchange coupling and attributed to the decoupled soft phase in exchange-coupled permanent magnets. However, in element-specific recoil loop measurements on Sm-Co/Fe exchange spring magnets, the authors found that the open recoil loops were present not only in the soft (Fe) layer but also in the hard (Sm-Co) layer, and were not a consequence of exchange coupling breakdown between the soft and hard layers. Comparison between the experimental results and micromagnetic calculations reveals that the observed open recoil loops originate from the anisotropy variations in the Sm-Co layer. (C) 2007 American Institute of Physics. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Texas, Dept Phys, Arlington, TX 76019 USA. RP Choi, Y (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM yschoi@anl.gov RI Bader, Samuel/A-2995-2013 NR 19 TC 35 Z9 39 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 9 PY 2007 VL 91 IS 2 AR 022502 DI 10.1063/1.2752534 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300048 ER PT J AU Geisz, JF Kurtz, S Wanlass, MW Ward, JS Duda, A Friedman, DJ Olson, JM McMahon, WE Moriarty, TE Kiehl, JT AF Geisz, J. F. Kurtz, Sarah Wanlass, M. W. Ward, J. S. Duda, A. Friedman, D. J. Olson, J. M. McMahon, W. E. Moriarty, T. E. Kiehl, J. T. TI High-efficiency GaInP/GaAs/InGaAs triple-junction solar cells grown inverted with a metamorphic bottom junction SO APPLIED PHYSICS LETTERS LA English DT Article ID BUFFER LAYERS; MULTILAYERS; FILMS AB The authors demonstrate a thin, Ge-free III-V semiconductor triple-junction solar cell device structure that achieved 33.8%, 30.6%, and 38.9% efficiencies under the standard 1 sun global spectrum, space spectrum, and concentrated direct spectrum at 81 suns, respectively. The device consists of 1.8 eV Ga0.5In0.5P, 1.4 eV GaAs, and 1.0 eV In0.3Ga0.7As p-n junctions grown monolithically in an inverted configuration on GaAs substrates by organometallic vapor phase epitaxy. The lattice-mismatched In0.3Ga0.7As junction was grown last on a graded GaxIn1-xP buffer. The substrate was removed after the structure was mounted to a structural "handle." The current-matched, series-connected junctions produced a total open-circuit voltage over 2.95 V at 1 sun. (C) 2007 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Geisz, JF (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM john_geisz@nrel.gov NR 19 TC 174 Z9 183 U1 10 U2 80 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 9 PY 2007 VL 91 IS 2 AR 023502 DI 10.1063/1.2753729 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300097 ER PT J AU Han, SH Hasoon, FS Hermann, AM Levi, DH AF Han, Sung-Ho Hasoon, Falah S. Hermann, Allen M. Levi, Dean H. TI Spectroscopic evidence for a surface layer in CuInSe2 : Cu deficiency SO APPLIED PHYSICS LETTERS LA English DT Article ID CU(IN,GA)SE-2 THIN-FILMS; SOLAR-CELLS; CU DEFICIENCY; ELLIPSOMETRY AB The near-surface region of thin-film polycrystalline (PX) CuIn1-xGaxSe2 (CIGS) is considered important because it is the region where the electrical junction forms in a CIGS photovoltaic device. Spectroscopic ellipsometry measurements of polycrystalline CuInSe2 films reveal that there is a thin layer at the surface which has different optical and electronic properties from those of the bulk film. This surface layer of thin-film CIGS has a larger band gap and greater spin-orbit interaction energy than the bulk film. These properties indicate that the surface layer is more Cu deficient than the bulk in the nearly stoichiometric thin-film PX-CIGS used in photovoltaic devices. This work provides an insight into the importance of surface layer engineering for photovoltaic device design. (C) 2007 American Institute of Physics. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Univ Kentucky, Ctr Nanoscale Sci & Engn, Lexington, KY 40506 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Han, SH (reprint author), Univ Calif San Diego, Moores Canc Ctr, Dept Radiol, La Jolla, CA 92093 USA. EM sunghohan@ucsd.edu RI Han, Sung-Ho/B-7678-2008 NR 18 TC 14 Z9 14 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 9 PY 2007 VL 91 IS 2 AR 021904 DI 10.1063/1.2755718 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300019 ER PT J AU Ho, CE Lee, A Subramanian, KN Liu, W AF Ho, C. E. Lee, A. Subramanian, K. N. Liu, W. TI Early stage of material movements in eutectic SnPb solder joint undergoing current stressing at 150 degrees C SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTROMIGRATION AB X-ray fluorescence spectroscopy was used to study movements of Sn and Pb in the eutectic SnPb solder joint undergoing electromigration with a current density of 10(4) A/cm(2) at 150 degrees C. During early stages of current stressing, Sn moves toward the anode faster than Pb. However, on continued application of current stressing, both Sn and Pb will continue to accumulate at the anode. Such accumulation of conductive species facilitates the formation of hillock with associated valley near the cathode. (C) 2007 American Institute of Physics. C1 Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Ho, CE (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM subramanian@egr.msu.edu NR 11 TC 11 Z9 11 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 9 PY 2007 VL 91 IS 2 AR 021906 DI 10.1063/1.2756292 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300021 ER PT J AU Kozyrev, AB Osadchy, VN Kosmin, DM Tumarkin, AV Kaydanova, T Ginley, D AF Kozyrev, Andrey B. Osadchy, Vitaly N. Kosmin, Dmitry M. Tumarkin, Andrey V. Kaydanova, Tatiana Ginley, David TI Time tuning of ferroelectric film varactors under pulse voltages SO APPLIED PHYSICS LETTERS LA English DT Article ID THIN-FILMS; CAPACITORS AB Significant difference in the capacitance tunability of paraelectric state ferroelectric capacitors under dc and pulse voltages is demonstrated. Along with a fast tuning (tau < 10 ns) the slow relaxation processes (tau >= 100 s) responsible for up to similar to 30% variation of the capacitance were observed. The observed effect is a main obstacle for application of paraelectric state ferroelectrics on microwaves. (C) 2007 American Institute of Physics. C1 St Petersburg Electrotech Univ, St Petersburg 197376, Russia. Natl Renewable Energy Lab, Golden, CO 80228 USA. RP Kozyrev, AB (reprint author), St Petersburg Electrotech Univ, 5 Prof Popov Str, St Petersburg 197376, Russia. EM mlp@eltech.ru RI Tumarkin, Andrei/D-7444-2014 NR 14 TC 15 Z9 15 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 9 PY 2007 VL 91 IS 2 AR 022905 DI 10.1063/1.2756126 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300060 ER PT J AU Ma, D Stoica, AD Wang, XL AF Ma, D. Stoica, A. D. Wang, X.-L. TI Volume conservation in bulk metallic glasses SO APPLIED PHYSICS LETTERS LA English DT Article ID AMORPHOUS-ALLOYS; FORMING ABILITY; STRUCTURAL MODEL; ATOMIC PACKING; TRANSITION; DENSITY; LIQUID; FLOW; ND AB The authors report that the excess molar volumes of mixing for similar to 30 metalloid-free bulk metallic glasses (BMGs) are essentially zero, indicating that the original volumes of "mechanically mixed" constituent elemental metals are conserved after glass formation. This is attributed to the lack of solute-solute bonds and the ideal-mixing nature of solvent-solute bonding upon amorphization. The hard-sphere atomic packing fractions of most of these BMGs are found to be similar to 0.74, comparable to the maximum packing efficiency for close-packed structures. These findings present a different perspective for understanding amorphous structures. (C) 2007 American Institute of Physics. C1 Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Ma, D (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM dongma@ornl.gov RI Ma, Dong/G-5198-2011; Wang, Xun-Li/C-9636-2010; Stoica, Alexandru/K-3614-2013 OI Ma, Dong/0000-0003-3154-2454; Wang, Xun-Li/0000-0003-4060-8777; Stoica, Alexandru/0000-0001-5118-0134 NR 38 TC 15 Z9 16 U1 2 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 9 PY 2007 VL 91 IS 2 AR 021905 DI 10.1063/1.2751595 PG 3 WC Physics, Applied SC Physics GA 189VS UT WOS:000248017300020 ER PT J AU Schelter, EJ Morris, DE Scott, BL Thompson, JD Kiplinger, JL AF Schelter, Eric J. Morris, David E. Scott, Brian L. Thompson, Joe D. Kiplinger, Jaqueline L. TI Toward actinide molecular magnetic materials: Coordination polymers of U(IV) and the organic acceptors TCNQ and TCNE SO INORGANIC CHEMISTRY LA English DT Article ID ELECTRON-SPIN RESONANCE; ION-PAIR COMPLEXES; CHEMISTRY; VOLTAMMETRY; FE; NI; CO; 7,7,8,8-TETRACYANOQUINODIMETHANE; TETRACYANOQUINODIMETHANE; TETRACYANOETHYLENE AB Molecular materials of transition metal ions and organic acceptors of the general formula M(TCNX)(2) M = V, Mn, Fe, Co, Ni; X = Q = 7,7,8,8-tetracyano-p-quinodimethane, E = tetracyanoethylene, are known to exhibit magnetic ordering resulting from magnetic interactions between the 3d metal orbitals of the paramagnetic metal ion and pi* orbitals of the organic radical spin centers. The reaction of THF solutions of UI3(THF)(4) with neutral TCNQ and TCNE instantaneously produce insoluble coordination polymers that can be assigned a formula of [U(TCNX)(2)I-2(THF)(2)](n) on the basis of elemental analysis. Similar reactions between (K-18-crown-6)(TCNX) reagents and UI3(THF)(4) produce materials with slightly different phase compositions that are structurally distinct from the neutral TCNQ and TCNE reaction products, as judged by infrared spectroscopy. In all cases the magnetic response of these materials is consistent with the presence of the U(IV) rather than U(III) ion. Voltammetric data obtained for all the synthetic precursors are consistent with the U(IV)/TCNX radical anion formulation. None of the materials undergo magnetic ordering, presumably due to the singlet magnetic ground state that results from the U(IV) ion in a low-symmetry ligand field. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Schelter, EJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM schelter@lanl.gov RI Schelter, Eric/E-2962-2013; Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 46 TC 31 Z9 31 U1 2 U2 10 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 9 PY 2007 VL 46 IS 14 BP 5528 EP 5536 DI 10.1021/ic0700295 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 184ED UT WOS:000247623000018 PM 17569523 ER PT J AU Boere, RT Bond, AM Chivers, T Feldberg, SW Roemmele, TL AF Boere, Rene T. Bond, Alan M. Chivers, Tristram Feldberg, Stephen W. Roemmele, Tracey L. TI Identification of the radical anions of C2N4S2 and P2N4S2 rings by in situ EPR spectroelectrochemistry and DFT calculations SO INORGANIC CHEMISTRY LA English DT Review ID ELECTRON-SPIN-RESONANCE; RAY CRYSTAL-STRUCTURE; HYPERFINE COUPLING-CONSTANTS; SULFUR NITROGEN CHEMISTRY; HETEROAROMATIC THIOAMINYL RADICALS; DENSITY-FUNCTIONAL METHODS; ESR-ELECTROCHEMICAL-CELLS; COAXIAL MICROWAVE CAVITY; GROUP-4 METAL-COMPLEXES; LITHIUM HALIDE ADDUCTS AB The previously unknown radical anions of unsaturated E2N4S2 ring systems (E = RC, R2NC, R2P) can be generated voltammetrically by the one-electron reduction of the neutral species and, despite half-lives on the order of a few seconds, have been unambiguously characterized by electron paramagnetic resonance (EPR) spectroelectrochemistry using a highly sensitive in situ electrolysis cell. Cyclic voltammetric studies using a glassy-carbon working electrode in CH3CN and CH2Cl2 with [(Bu4N)-Bu-n][PF6] as the supporting electrolyte gave reversible formal potentials for the [E2N4S2](0/-) process in the range of -1.25 to -1.77 V and irreversible peak potentials for oxidation in the range of 0.66 to 1.60 V (vs the Fc(+/0) couple; Fc = ferrocene). Reduction of the neutral compound undergoes an electrochemically reversible one-electron transfer, followed by the decay of the anion to an unknown species via a first-order (chemical) reaction pathway. The values of the first-order rate constant, k(f), for the decay of all the radical anions in CH2Cl2 have been estimated from the decay of the EPR signals for (X-C6H4CN2S)(2)(center dot-), where X = 4-OCH3 (k(f) = 0.04 s(-1)), 4-CH3 (k(f) = 0.02 s(-1)), 4-H (k(f) = 0.08 s(-1)), 4-Cl (k(f) = 0.05 s(-1)), 4-CF3 (k(f) = 0.05 s(-1)), or 3-CF3 (k(f) = 0.07 s(-1)), and for [(CH3)(3)CCN2S](2)(center dot-) (k(f) = 0.02 s(-1)), [(CH3)(2)NCN2S](2)(center dot-) (k(f) = 0.05 s(-1)), and [(C6H5)(2)PN2S](2)(center dot-) (k(f) = 0.7 s(-1)). Values of k(f) for X = 4-H and for [(CH3)(2)NCN2S](2)(center dot-) were also determined from the cyclic voltammetric responses (in CH2Cl2) and were both found to be 0.05 s(-1). Possible pathways for the first-order anion decomposition that are consistent with the experimental observations are discussed. Density functional theory calculations at the UB3LYP/6-31G(d) level of theory predict the structures of the radical anions as either planar (D-2h) or folded (C-2v) species; the calculated hyperfine coupling constants are in excellent agreement with experimental results. Linear correlations were observed between the voltammetrically determined potentials and both the orbital energies and Hammett coefficients for the neutral aryl-substituted rings. C1 Univ Lethbridge, Dept Chem & Biochem, Lethbridge, AB T1K 3M4, Canada. Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Boere, RT (reprint author), Univ Lethbridge, Dept Chem & Biochem, Lethbridge, AB T1K 3M4, Canada. EM boere@uleth.ca; chivers@ucalgary.ca NR 112 TC 15 Z9 15 U1 3 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 9 PY 2007 VL 46 IS 14 BP 5596 EP 5607 DI 10.1021/ic070243t PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 184ED UT WOS:000247623000027 PM 17552513 ER PT J AU Kapre, RR Bothe, E Weyhermuller, T George, SD Wieghardt, K AF Kapre, Ruta R. Bothe, Eberhard Weyhermuller, Thomas George, Serena DeBeer Wieghardt, Karl TI Electronic structure of neutral and monoanionic tris(benzene-1,2-dithiolato) metal complexes of molybdenum and tungsten SO INORGANIC CHEMISTRY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; HYDROXYLASE ANALOG SYSTEM; SULFUR LIGANDS; MOLECULAR-STRUCTURE; OCTAHEDRAL COORDINATION; CRYSTAL-STRUCTURE; = CO; OXIDATION; COVALENCY; IRON AB The reaction of 3 equiv of the ligand 2-mercapto-3,5-di-tert-butylaniline, H-2[L-N,L-S], or 3,5-di-tert-butyl-1,2-benzenedithiol, H-2[L-S,L-S], with 1 equiv of [MoO2(acac)(2)] or WCl6 (acac = acetonylacetate(1-)) in methanol or CCl4 afforded the diamagnetic neutral complexes [Mo-V(L-N,L-S)(2)(L-N,S(center dot))](0) [Mo-V(L-S,L-S)(2)(L-S,S(center dot))], and [W-V(L-S,L-S)(2)(L-S,S(center dot))], where (L-N,S(center dot))(-) and (L-S,S(center dot))(-) represent monoanionic pi-radical ligands (S-rad = (1)/(2)), which are the one-electron oxidized forms of the corresponding closed-shell dianions (L-N,L-S)(2-) and (L-S,L-S)(2-). Complexes are trigonal-prismatic members of the electron-transfer series [ML3](z) (z = 0, 1-, 2-). Reaction of and with [N(n-Bu)(4)](SH) in CH2Cl2 under anaerobic conditions afforded paramagnetic crystalline [N(n-Bu)(4)][Mo-V(L-S,L-S)(3)] and [N(n-Bu)(4)][W-V(L-S,L-S)(3)] . Complexes have been characterized by X-ray crystallography. S K-edge X-ray absorption and infrared spectroscopy prove that a pi-radical ligand (L-S,S(center dot))(-) is present in neutral whereas the monoanions [M-V(L-S,L-S)(3)](-) contain only closed-shell dianionic ligands. These neutral species have previously been incorrectly described as [M-VI(L)(3)](0) complexes with a Mo-VI or W-VI (d(0)) central metal ion; they are, in fact M-V (d(1)) (M = Mo, W) species: [Mo-V(L-S,L-S)(2)(L-S,S(center dot))] and [W-V(L-S,L-S)(2)(L-S,S(center dot))] with a diamagnetic ground state S-t = 0, which is generated by intramolecular, antiferromagnetic coupling between the M-V (d(1)) central ion (S-M = (1)/(2)) and a ligand pi radical (L-S,S(center dot))(-) (S-rad = (1)/(2)). C1 Max Planck Inst Bioanorgan Chem, D-45470 Mulheim, Germany. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. RP Wieghardt, K (reprint author), Max Planck Inst Bioanorgan Chem, Stifstr 34-36, D-45470 Mulheim, Germany. EM wieghardt@mpi-muelheim.mpg.de RI DeBeer, Serena/G-6718-2012; Weyhermuller, Thomas/G-6730-2012; Wieghardt, Karl/B-4179-2014 OI Weyhermuller, Thomas/0000-0002-0399-7999; NR 34 TC 43 Z9 43 U1 2 U2 11 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 9 PY 2007 VL 46 IS 14 BP 5642 EP 5650 DI 10.1021/ic0700600r PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 184ED UT WOS:000247623000032 PM 17567127 ER PT J AU Diaconescu, DE Donagi, R Florea, B AF Diaconescu, Duiliu-Emanuel Donagi, Ron Florea, Bogdan TI Metastable quivers in string compactifications SO NUCLEAR PHYSICS B LA English DT Article ID CALABI-YAU 4-FOLDS; MIRROR SYMMETRY; F-THEORY; SUPERPOTENTIALS; FLUXES; VACUA AB We propose a scenario for dynamical supersymmetry breaking in string compactifications based on geometric engineering of quiver gauge theories. In particular we show that the runaway behavior of fractional branes at del Pezzo singularities can be stabilized by a flux superpotential in compact models. Our construction relies on homological mirror symmetry for orientifolds. Published by Elsevier B.V. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, SLAC, Stanford, CA 94305 USA. Univ Penn, David Rittenhouse Lab, Dept Math, Philadelphia, PA 19104 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Donagi, R (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM duiliu@physics.rutgers.edu; donagi@math.upenn.edu; bflorea@slac.stanford.edu NR 62 TC 12 Z9 12 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 J9 NUCL PHYS B JI Nucl. Phys. B PD JUL 9 PY 2007 VL 774 BP 102 EP 126 DI 10.1016/j.nuclphysb.2007.03.026 PG 25 WC Physics, Particles & Fields SC Physics GA 183IV UT WOS:000247567400004 ER PT J AU Dreiner, HK Luhn, C Murayama, H Thormeier, M AF Dreiner, Herbi K. Luhn, Christoph Murayama, Hitoshi Thormeier, Marc TI Baryon triality and neutrino masses from an anomalous flavor U(1) SO NUCLEAR PHYSICS B LA English DT Article ID DISCRETE GAUGE SYMMETRIES; STRING WORLD SHEET; R-PARITY VIOLATION; MU-PROBLEM; YUKAWA TEXTURES; LEPTON NUMBER; D-TERMS; MODELS; SUPERGRAVITY; SCALE AB We construct a concise U(1)(X) Froggatt-Nielsen model in which baryon triality, a discrete gauge Z(3)-symmetry, arises from U(1)(x) breaking. The proton is thus stable, however, R-parity is violated. With the proper choice of U(1)(X) charges we can obtain neutrino masses and mixings consistent with an explanation of the atmospheric and solar neutrino anomalies in terms of neutrino oscillations, with no right-handed neutrinos required. The only mass scale apart from M-grav is m(soft). (c) 2007 Elsevier B.V. All rights reserved. C1 CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. Univ Calif Berkeley, Ernest Orlando Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Florida, Dept Phys, Inst Fundamental Theory, Gainesville, FL 32611 USA. Univ Bonn, Inst Phys, D-53115 Bonn, Germany. RP Thormeier, M (reprint author), CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. EM dreiner@th.physik.uni-bonn.de; luhn@phys.ufl.edu; murayama@hitoshi.berkeley.edu; marc.thormeier@cea.fr RI Murayama, Hitoshi/A-4286-2011; OI Luhn, Christoph/0000-0002-3318-3128 NR 69 TC 40 Z9 40 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD JUL 9 PY 2007 VL 774 BP 127 EP 167 DI 10.1016/j.nuclphysb.2007.03.028 PG 41 WC Physics, Particles & Fields SC Physics GA 183IV UT WOS:000247567400005 ER PT J AU Bardhan, JP Altman, MD Willis, DJ Lippow, SM Tidor, B White, JK AF Bardhan, Jaydeep P. Altman, Michael D. Willis, David J. Lippow, Shaun M. Tidor, Bruce White, Jacob K. TI Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID POISSON-BOLTZMANN EQUATION; GENERALIZED BORN MODEL; BOUNDARY-ELEMENT; SURFACE TRIANGULATION; ANALYTICAL SHAPE; PROTEINS; MACROMOLECULES; ELECTROSTATICS; COMPUTATION; DYNAMICS AB Surface formulations of biophysical modeling problems offer attractive theoretical and computational properties. Numerical simulations based on these formulations usually begin with discretization of the surface under consideration; often, the surface is curved, possessing complicated structure and possibly singularities. Numerical simulations commonly are based on approximate, rather than exact, discretizations of these surfaces. To assess the strength of the dependence of simulation accuracy on the fidelity of surface representation, here methods were developed to model several important surface formulations using exact surface discretizations. Following and refining Zauhar's work [J. Comput.-Aided Mol. Des. 9, 149 (1995)], two classes of curved elements were defined that can exactly discretize the van der Waals, solvent-accessible, and solvent-excluded (molecular) surfaces. Numerical integration techniques are presented that can accurately evaluate nonsingular and singular integrals over these curved surfaces. After validating the exactness of the surface discretizations and demonstrating the correctness of the presented integration methods, a set of calculations are presented that compare the accuracy of approximate, planar-triangle-based discretizations and exact, curved-element-based simulations of surface-generalized-Born (sGB), surface-continuum van der Waals (scvdW), and boundary-element method (BEM) electrostatics problems. Results demonstrate that continuum electrostatic calculations with BEM using curved elements, piecewise-constant basis functions, and centroid collocation are nearly ten times more accurate than planar-triangle BEM for basis sets of comparable size. The sGB and scvdW calculations give exceptional accuracy even for the coarsest obtainable discretized surfaces. The extra accuracy is attributed to the exact representation of the solute-solvent interface; in contrast, commonly used planar-triangle discretizations can only offer improved approximations with increasing discretization and associated increases in computational resources. The results clearly demonstrate that the methods for approximate integration on an exact geometry are far more accurate than exact integration on an approximate geometry. A < emph type="5"> MATLAB implementation of the presented integration methods and sample data files containing curved-element discretizations of several small molecules are available online as supplemental material. C1 MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. MIT, Dept Biol Engn, Cambridge, MA 02139 USA. MIT, Dept Chem Engn, Cambridge, MA 02139 USA. MIT, Dept Aeronaut & Astronaut, Cambridge, MA 02139 USA. MIT, Dept Chem, Cambridge, MA 02139 USA. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Tidor, B (reprint author), MIT, Dept Elect Engn & Comp Sci, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM tidor@mit.edu; white@mit.edu FU NCI NIH HHS [CA096504, R01 CA096504]; NIGMS NIH HHS [GM065418, R01 GM065418, R56 GM065418] NR 70 TC 20 Z9 21 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 7 PY 2007 VL 127 IS 1 AR 014701 DI 10.1063/1.2743423 PG 18 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 187AN UT WOS:000247819800028 PM 17627358 ER PT J AU Dai, XC Leone, SR AF Dai, Xingcan Leone, Stephen R. TI Control of wave packets in Li-2 by shaping the pump and probe pulses for a state-selected pump-probe analysis of the ionization continuum SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RESOLVED PHOTOELECTRON-SPECTROSCOPY; RYDBERG STATES; VIBRATIONAL AUTOIONIZATION; MULTIPHOTON IONIZATION; DOUBLE-RESONANCE; PHASE-CONTROL; SHELF STATE; FEMTOSECOND; LI-7(2); DYNAMICS AB Wave packet signals in Li-2 prepared by shaped pump pulses are also detected with state-selected shaped probe pulses in the ionization continuum. The results show that the final states are discrete Rydberg states instead of continuum states. Final autoionizing states in the continuum are observed and characterized. By selecting specific resonant rovibrational electronic transitions from the superposition states prepared in the wave packets to the final autoionizing states with the pulse shaping system, the modulation depths of the wave packet signals are increased by as much as 5.20 +/- 0.03 times. Control of the wave packets is also realized by shaping the probe pulses to select specific resonant transitions between the states in the wave packets and the highly excited Rydberg states. The detected amplitude ratio of one specific vibrational quantum beat to one specific rotational quantum beat can be decreased by ten times. (c) 2007 American Institute of Physics. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu RI Dai, Xingcan/B-3556-2014 NR 32 TC 2 Z9 2 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 7 PY 2007 VL 127 IS 1 AR 014312 DI 10.1063/1.2745793 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 187AN UT WOS:000247819800021 PM 17627351 ER PT J AU Nishikawa, M Holroyd, RA Preses, JM AF Nishikawa, Masaru Holroyd, Richard A. Preses, Jack M. TI Mobility of electrons in supercritical krypton: Role of density fluctuations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DEFORMATION-POTENTIAL-THEORY; CONDUCTION-BAND ENERGY; FLUID ARGON; LIQUID ARGON; EXCESS ELECTRONS; FIELD-IONIZATION; XENON; TEMPERATURE; ETHANE; THERMALIZATION AB Excess electrons were generated in supercritical krypton by means of pulsed x-ray irradiation, and the electron transport phenomena were studied. Electron signals immediately after a 30 ps pulse showed a distinctive feature characteristic of the presence of the Ramsauer-Townsend minimum in the momentum transfer cross section. The dependence of the drift velocity v(D) on field strength was found to be concave upward in the low field region and then to go through a maximum with increasing field strength, which is also typical of the presence of a minimum in the scattering cross section at an intermediate field strength. A minimum in the electron mobility was observed at about one-half the critical density. The acoustical phonon scattering model, which successfully explained the mobility change in this density region in supercritical xenon, was again found to account for the mobility in supercritical krypton. C1 Kanagawa Inst Technol, Fac Engn, Atsugi, Kanagawa 2430292, Japan. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Holroyd, RA (reprint author), Kanagawa Inst Technol, Fac Engn, 1030 Shimo Ogino, Atsugi, Kanagawa 2430292, Japan. EM holroyd@bnl.gov NR 26 TC 1 Z9 1 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 7 PY 2007 VL 127 IS 1 AR 014504 DI 10.1063/1.2746870 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 187AN UT WOS:000247819800027 PM 17627357 ER PT J AU Ciupe, SM Ribeiro, RM Nelson, PW Perelson, AS AF Ciupe, Stanca M. Ribeiro, Ruy M. Nelson, Patrick W. Perelson, Alan S. TI Modeling the mechanisms of acute hepatitis B virus infection SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE hepatitis B virus; viral dynamics; acute infection dynamics; modeling viral infections; cccDNA; immune response modeling ID CD8(+) T-CELLS; VIRAL DYNAMICS; COMBINATION THERAPY; HBV INFECTION; C VIRUS; CLEARANCE; PATHOGENESIS; KINETICS; MEMORY; CHIMPANZEES AB Mathematical models have been used to understand the factors that govern infectious disease progression in viral infections. Here we focus on hepatitis B virus (HBV) dynamics during the acute stages of the infection and analyze the immune mechanisms responsible for viral clearance. We start by presenting the basic model used to interpret HBV therapy studies conducted in chronically infected patients. We then introduce additional models to study acute infection where immune responses presumably play an important role in determining whether the infection will be cleared or become chronic. We add complexity incrementally and explain each step of the modeling process. Finally, we validate the model against experimental data to determine how well it represents the biological system and, consequently, how useful are its predictions. In particular, we find that a cell-mediated immune response plays an important role in controlling the virus after the peak in viral load. Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. Santa Fe Inst, Santa Fe, NM 87507 USA. Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Div Theoret, Theoret Biol & Biophys Grp, Los Alamos, NM 87545 USA. EM asp@lanl.gov OI Ribeiro, Ruy/0000-0002-3988-8241 FU NCRR NIH HHS [P20 RR018754, P20 RR018754-04, R01 RR006555, R01 RR006555-16, RR06555, RR18754-02]; NIH HHS [R01 OD011095] NR 41 TC 51 Z9 55 U1 0 U2 5 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 J9 J THEOR BIOL JI J. Theor. Biol. PD JUL 7 PY 2007 VL 247 IS 1 BP 23 EP 35 DI 10.1016/j.jtbi.2007.02.017 PG 13 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 182FH UT WOS:000247490000003 PM 17428501 ER PT J AU Habte, F Foudray, AMK Olcott, PD Levin, CS AF Habte, F. Foudray, A. M. K. Olcott, P. D. Levin, C. S. TI Effects of system geometry and other physical factors on photon sensitivity of high-resolution positron emission tomography SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID PET DETECTOR DESIGN; ANIMAL PET; PERFORMANCE EVALUATION; SIMULATION PLATFORM; SPATIAL-RESOLUTION; MICROPET SCANNER; CAMERA; GATE; VALIDATION; DEPTH AB We are studying two new detector technologies that directly measure the three-dimensional coordinates of 511 keV photon interactions for high-resolution positron emission tomography ( PET) systems designed for small animal and breast imaging. These detectors are based on ( 1) lutetium oxyorthosilicate (LSO) scintillation crystal arrays coupled to position-sensitive avalanche photodiodes (PSAPD) and (2) cadmium zinc telluride (CZT). The detectors have excellent measured 511 keV photon energy resolutions (<= 12% FWHM for LSO-PSAPD and <= 3% for CZT) and good coincidence time resolutions (2 ns FWHM for LSO-PSAPD and 8 ns for CZT). The goal is to incorporate the detectors into systems that will achieve 1mm3 spatial resolution (similar to 1 mm(3), uniform throughout the field of view (FOV)), with excellent contrast resolution as well. In order to realize 1 mm3 spatial resolution with high signal-to-noise ratio (SNR), it is necessary to significantly boost coincidence photon detection efficiency ( referred to as photon sensitivity). To facilitate high photon sensitivity in the proposed PET system designs, the detector arrays are oriented 'edge- on' with respect to incoming 511 keV annihilation photons and arranged to form a compact FOV with detectors very close to, or in contact with, the subject tissues. In this paper, we used Monte Carlo simulation to study various factors that limit the photon sensitivity of a high-resolution PET system dedicated to small animal imaging. To optimize the photon sensitivity, we studied several possible system geometries for a fixed 8 cm transaxial and 8 cm axial FOV. We found that using rectangular-shaped detectors arranged into a cylindrical geometry does not yield the best photon sensitivity. This is due to the fact that forming rectangular-shaped detectors into a ring produces significant wedge-shaped inter-module gaps, through which Compton-scattered photons in the detector can escape. This effect limits the center point source photon sensitivity to < 6% for a cylindrical system with rectangular-shaped blocks, 8 cm diameter and 8 cm axial FOV, and a 350-650 keV energy window setting. On the other hand, if the proposed rectangular-shaped detectors are arranged into an 8 x 8 x 8 cm(3) FOV box configuration (four detector panels), there are only four inter-module gaps and the favorable distribution of these gaps yields > 8% photon sensitivity for the LSO-PSAPD box configuration and > 15% for CZT box geometry, using a 350-650 keV energy window setting. These simulation results compare well with analytical estimations. The trend is different for a clinical whole-body PET system that uses conventional LSO-PMT block detectors with larger crystal elements. Simulations predict roughly the same sensitivity for both box and cylindrical detector configurations. This results from the fact that a large system diameter (> 80 cm) results in relatively small inter-module gaps in clinical whole-body PET. In addition, the relatively large block detectors ( typically > 5 x 5 cm(2) cross-sectional area) and large crystals (> 4 x 4 x 20 mm(3)) enable a higher fraction of detector scatter photons to be absorbed compared to a small animal system. However, if the four detector sides (panels) of a box-shaped system geometry are configured to move with respect to each other, to better fit the transaxial FOV to the actual size of the object to be imaged, a significant increase in photon sensitivity is possible. Simulation results predict a 60-100% relative increase of photon sensitivity for the prposed small animal PET box configurations and >60% increase for a clinical whole-body system geometry. Thus, simulation results indicate that for a PET system built from rectangular-shaped detector modules, arranging them into a box-shaped system geometry may help us to significantly boost photon sensitivity for both small animal and clinical PET systems. C1 Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. Stanford Univ, Dept Radiol, Stanford, CA 94305 USA. Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RP Habte, F (reprint author), Oak Ridge Natl Lab, Nucl Sci & Technol Div, Oak Ridge, TN 37831 USA. EM fhabte@ornl.gov; cslevin@stanford.edu FU NCI NIH HHS [R01 CA120474, R01 CA119056, R21 CA098691]; NIBIB NIH HHS [R21 EB003283] NR 48 TC 27 Z9 28 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD JUL 7 PY 2007 VL 52 IS 13 BP 3753 EP 3772 DI 10.1088/0031-9155/52/13/007 PG 20 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 175XW UT WOS:000247048300007 PM 17664575 ER PT J AU Guy, JE Whittle, E Kumaran, D Lindqvist, Y Shanklin, J AF Guy, Jodie E. Whittle, Edward Kumaran, Desigan Lindqvist, Ylva Shanklin, John TI The crystal structure of the ivy Delta(4)-16 : 0-ACP desaturase reveals structural details of the oxidized active site and potential determinants of regioselectivity SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID CARRIER-PROTEIN-DESATURASE; THUNBERGIA-ALATA ENDOSPERM; STEAROYL-ACP DESATURASE; FATTY-ACID DESATURASES; SUBSTRATE-SPECIFICITY; DELTA(9) DESATURASE; DIIRON(III) SITE; OLEIC-ACID; SEED; METHANE AB The multifunctional acyl-acyl carrier protein (ACP) desaturase from Hedera helix ( English ivy) catalyzes the Delta(4) desaturation of 16:0-ACP and the Delta(9) desaturation of 18: 0-ACP and further desaturates Delta(9)-16: 1 or Delta(9)-18: 1 to the corresponding Delta(4,9) dienes. The crystal structure of the enzyme has been solved to 1.95 angstrom resolution, and both the iron-iron distance of similar to 3.2 angstrom and the presence of a mu-oxo bridge reveal this to be the only reported structure of a desaturase in the oxidized FeIII-FeIII form. Significant differences are seen between the oxidized active site and the reduced active site of the Ricinus communis ( castor) desaturase; His(227) coordination to Fe2 is lost, and the side chain of Glu(224), which bridges the two iron ions in the reduced structure, does not interact with either iron. Although carboxylate shifts have been observed on oxidation of other diiron proteins, this is the first example of the residue moving beyond the coordination range of both iron ions. Comparison of the ivy and castor structures reveal surface amino acids close to the annulus of the substrate-binding cavity and others lining the lower portion of the cavity that are potential determinants of their distinct substrate specificities. We propose a hypothesis that differences in side chain packing explains the apparent paradox that several residues lining the lower portion of the cavity in the ivy desaturase are bulkier than their equivalents in the castor enzyme despite the necessity for the ivy enzyme to accommodate three more carbons beyond the diiron site. C1 Karolinska Inst, Dept Med Biochem & Biophys, S-17177 Stockholm, Sweden. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Lindqvist, Y (reprint author), Karolinska Inst, Dept Med Biochem & Biophys, S-17177 Stockholm, Sweden. EM ylva.lindqvist@ki.se; shanklin@bnl.gov RI Lindqvist, Ylva/F-9009-2010 NR 45 TC 27 Z9 28 U1 0 U2 9 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 EI 1083-351X J9 J BIOL CHEM JI J. Biol. Chem. PD JUL 6 PY 2007 VL 282 IS 27 BP 19863 EP 19871 DI 10.1074/jbc.M702520200 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 184OF UT WOS:000247650600061 PM 17463003 ER PT J AU Babich, LP Roussel-Dupre, RA AF Babich, Leonid P. Roussel-Dupre, Robert A. TI Origin of neutron flux increases observed in correlation with lightning SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID GAMMA-RAY FLASHES; RUNAWAY BREAKDOWN; PARTICLE ACCELERATION; CROSS-SECTIONS; RED SPRITES; X-RAYS; THUNDERSTORMS; DISCHARGES; GENERATION; SEARCH AB [1] The past decade of research into the phenomenon of lightning has seen an accumulation of evidence for the existence of penetrating radiation (X- and gamma-rays) in direct association with many forms of discharges. As a result, our basic understanding of the mechanisms that produce lightning has shifted from the present paradigm based on conventional breakdown to a picture that incorporates the acceleration and avalanche of energetic particles. Experiments conducted at high mountainous facilities in Gulmarg, India, have further confirmed the need for a paradigm shift. These measurements have shown an enhancement in neutron flux in the atmosphere in correlation with lightning electromagnetic pulses. We demonstrate here that the prevailing neutron generation theory based on synthesis of deuterium nuclei in the lightning channel is not feasible. Instead, this phenomenon is most likely connected with photonuclear reactions produced as part of the recently elaborated theory of relativistic runaway breakdown. C1 Russian Fed Nucl Ctr VNIIEF, All Russian Sci Res Inst Expt Phys, Sarov 607180, Nizhegorodskaya, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Babich, LP (reprint author), Russian Fed Nucl Ctr VNIIEF, All Russian Sci Res Inst Expt Phys, Pr Mira 37, Sarov 607180, Nizhegorodskaya, Russia. EM babich@elph.vniief.ru; rroussel-dupre@lanl.gov NR 50 TC 23 Z9 24 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD JUL 6 PY 2007 VL 112 IS D13 AR D13303 DI 10.1029/2006JD008340 PG 7 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 187XB UT WOS:000247881300006 ER PT J AU Vasco, DW Puskas, CM Smith, RB Meertens, CM AF Vasco, D. W. Puskas, C. M. Smith, R. B. Meertens, C. M. TI Crustal deformation and source models of the Yellowstone volcanic field from geodetic data SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID LONG-VALLEY-CALDERA; DIFFERENTIAL RADAR INTERFEROMETRY; VERTICAL SURFACE DISPLACEMENTS; NATIONAL-PARK; EARTHS SURFACE; EARTHQUAKE; CALIFORNIA; SUBSIDENCE; UPLIFT; MECHANISMS AB [1] Geodetic observations, comprising Interferometric Synthetic Aperture Radar (InSAR), Global Positioning System (GPS), and precision leveling measurements, are used to infer volume change in the subsurface associated with the dynamics of the Yellowstone volcanic system. We focus primarily on the Yellowstone Caldera and its related magmatic, hydrothermal, and fault systems. It appears that known faults play a significant role in controlling crustal volume increases and decreases due to the migration of volcanic and hydrothermal fluids. For example, over 5 cm of subsidence from 1992 to 1995 is associated with source volume changes 6-10 km beneath the NW-trending Elephant Back fault zone and a north-trending fault cutting across the caldera. Furthermore, we are able to image an episode of fluid intrusion near the northern edge of the caldera. The intrusion is elongated in the north-south direction and is parallel to the north-trending volume decrease. The primary intrusion and related hydrothermal activity occurred between 1996 and 2000, though the volume changes appear to have continued, shallowed, and changed shape between 2000 and 2002. There is evidence that the intrusive activity influenced extensional faults to the north of the caldera. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. UNAVCO, Univ NAVSTAR Consortium, Boulder, CO 80301 USA. Univ Utah, Dept Geol & Geophys, Salt Lake City, UT 84112 USA. RP Vasco, DW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM dwvasco@lbl.gov RI Vasco, Donald/I-3167-2016; Vasco, Donald/G-3696-2015; OI Vasco, Donald/0000-0003-1210-8628; Vasco, Donald/0000-0003-1210-8628; Puskas, Christine/0000-0001-9388-0200 NR 52 TC 14 Z9 14 U1 1 U2 9 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD JUL 6 PY 2007 VL 112 IS B7 AR B07402 DI 10.1029/2006JB004641 PG 19 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 187XP UT WOS:000247882900002 ER PT J AU Hong, ST Lavender, CA AF Hong, Sung-Tae Lavender, Curt A. TI Tailoring of mechanical properties of hydroformed aluminum tubes SO JOURNAL OF MATERIALS PROCESSING TECHNOLOGY LA English DT Article DE hydroforming; mechanical properties; precipitation ID AUTOMOTIVE APPLICATIONS; EXTRUSION TUBES AB Tailoring of the mechanical properties of hydroformed aluminum 6063-T4 tubes to those of aluminum 6063-T6 was performed by heat treatment. Quasi-static tensile tests and a SEM analysis were conducted to evaluate the change of the mechanical properties. The experimental results of the hydroformed tubes in T4 condition (before the heat treatment) show significant variations of the mechanical properties along the length due to the different extents of work hardening by hydroforming. The experimental results of the hydroformed tubes in T6 condition (after the heat treatment) show that the precipitation hardening successfully removed the effects of the non-uniform work hardening and resulted in the uniform mechanical properties in the tube. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hong, ST (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM sungtae.hong@pnl.gov RI Choi, Seungtae/C-6821-2011; Hong, Sung Tae/K-2720-2015 OI Choi, Seungtae/0000-0002-4119-9787; Hong, Sung Tae/0000-0003-2263-7099 NR 17 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-0136 J9 J MATER PROCESS TECH JI J. Mater. Process. Technol. PD JUL 6 PY 2007 VL 189 IS 1-3 BP 477 EP 482 DI 10.1016/j.jmatprotec.2007.02.017 PG 6 WC Engineering, Industrial; Engineering, Manufacturing; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 165SU UT WOS:000246326700064 ER PT J AU VanDemark, AP Blanksma, M Ferris, E Heroux, A Hill, CP Formosa, T AF VanDemark, Andrew P. Blanksma, Mary Ferris, Elliott Heroux, Annie Hill, Christopher P. Formosa, Tim TI The structure of the yFACT pob3-m domain, its interaction with the DNA replication factor RPA, and a potential role in nucleosome deposition (vol 22, pg 363, 2006) SO MOLECULAR CELL LA English DT Correction C1 Univ Utah, Sch Med, Dept Biochem, Salt Lake City, UT 84132 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Hill, CP (reprint author), Univ Utah, Sch Med, Dept Biochem, Salt Lake City, UT 84132 USA. EM chris@biochem.utah.edu; tim@biochem.utah.edu NR 1 TC 1 Z9 1 U1 0 U2 0 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD JUL 6 PY 2007 VL 27 IS 1 BP 171 EP 172 DI 10.1016/j.molcel.2007.06.007 PG 2 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 190VK UT WOS:000248088500015 ER PT J AU Erickson, AS Misra, S Miller, GJ Gupta, RR Schlesinger, Z Harrison, WA Kim, JM Fisher, IR AF Erickson, A. S. Misra, S. Miller, G. J. Gupta, R. R. Schlesinger, Z. Harrison, W. A. Kim, J. M. Fisher, I. R. TI Ferromagnetism in the Mott insulator Ba2NaOsO6 SO PHYSICAL REVIEW LETTERS LA English DT Article ID CRYSTAL-GROWTH; OSMIUM; PEROVSKITES; TRANSITION; SR2IRO4 AB Results are presented of single crystal structural, thermodynamic, and reflectivity measurements of the double-perovskite Ba2NaOsO6. These characterize the material as a 5d(1) ferromagnetic Mott insulator with an ordered moment of similar to 0.2 mu(B) per formula unit and T-C=6.8(3) K. The magnetic entropy associated with this phase transition is close to Rln2, indicating that the quartet ground state anticipated from consideration of the crystal structure is split, consistent with a scenario in which the ferromagnetism is associated with orbital ordering. C1 Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. RP Erickson, AS (reprint author), Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. NR 20 TC 64 Z9 64 U1 7 U2 39 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 6 PY 2007 VL 99 IS 1 AR 016404 DI 10.1103/PhysRevLett.99.016404 PG 4 WC Physics, Multidisciplinary SC Physics GA 187AO UT WOS:000247819900034 PM 17678173 ER PT J AU Li, CK Seguin, FH Frenje, JA Rygg, JR Petrasso, RD Town, RPJ Amendt, PA Hatchett, SP Landen, OL Mackinnon, AJ Patel, PK Tabak, M Knauer, JP Sangster, TC Smalyuk, VA AF Li, C. K. Seguin, F. H. Frenje, J. A. Rygg, J. R. Petrasso, R. D. Town, R. P. J. Amendt, P. A. Hatchett, S. P. Landen, O. L. Mackinnon, A. J. Patel, P. K. Tabak, M. Knauer, J. P. Sangster, T. C. Smalyuk, V. A. TI Observation of the decay dynamics and instabilities of megagauss field structures in laser-produced plasmas SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC-FIELD; TARGETS AB Monoenergetic proton radiography was used to make the first measurements of the long-time-scale dynamics and evolution of megagauss laser-plasma-generated magnetic field structures. While a 1-ns 10(14) W/cm(2) laser beam is on, the field structure expands in tandem with a hemispherical plasma bubble, maintaining a rigorous 2D cylindrical symmetry. With the laser off, the bubble continues to expand as the field decays; however, the outer field structure becomes distinctly asymmetric, indicating instability. Similarly, localized asymmetry growth in the bubble interior indicates another kind of instability. 2D LASNEX hydrosimulations qualitatively match the cylindrically averaged post-laser plasma evolution but even then it underpredicts the field dissipation rate and of course completely misses the 3D asymmetry growth. C1 MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. RP Li, CK (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. RI Patel, Pravesh/E-1400-2011; MacKinnon, Andrew/P-7239-2014 OI MacKinnon, Andrew/0000-0002-4380-2906 NR 22 TC 36 Z9 36 U1 3 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 6 PY 2007 VL 99 IS 1 AR 015001 DI 10.1103/PhysRevLett.99.015001 PG 4 WC Physics, Multidisciplinary SC Physics GA 187AO UT WOS:000247819900019 ER PT J AU Li, ZQ Podzorov, V Sai, N Martin, MC Gershenson, ME Di Ventra, M Basov, DN AF Li, Z. Q. Podzorov, V. Sai, N. Martin, M. C. Gershenson, M. E. Di Ventra, M. Basov, D. N. TI Light quasiparticles dominate electronic transport in molecular crystal field-effect transistors SO PHYSICAL REVIEW LETTERS LA English DT Article ID BEHAVIOR; DENSITY AB We report on an infrared spectroscopy study of mobile holes in the accumulation layer of organic field-effect transistors based on rubrene single crystals. Our data indicate that both transport and infrared properties of these transistors at room temperature are governed by light quasiparticles in molecular orbital bands with the effective masses m(star) comparable to free electron mass. Furthermore, the m(star) values inferred from our experiments are in agreement with those determined from band structure calculations. These findings reveal no evidence for prominent polaronic effects, which is at variance with the common beliefs of polaron formation in molecular solids. C1 Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Univ Texas, Dept Phys, Austin, TX 78712 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source Div, Berkeley, CA 94720 USA. RP Li, ZQ (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM zhiqiang@physics.ucsd.edu RI Di Ventra, Massimiliano/E-1667-2011; Podzorov, Vitaly/I-2639-2016 OI Di Ventra, Massimiliano/0000-0001-9416-189X; NR 20 TC 96 Z9 98 U1 1 U2 14 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 6 PY 2007 VL 99 IS 1 AR 016403 DI 10.1103/PhysRevLett.99.016403 PG 4 WC Physics, Multidisciplinary SC Physics GA 187AO UT WOS:000247819900033 PM 17678172 ER PT J AU Moore, KT Soderlind, P Schwartz, AJ Laughlin, DE AF Moore, K. T. Soederlind, P. Schwartz, A. J. Laughlin, D. E. TI Comment on "Symmetry and stability of delta plutonium: The influence of electronic structure" - Reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Moore, KT (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 5 TC 0 Z9 0 U1 2 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 6 PY 2007 VL 99 IS 1 AR 019704 DI 10.1103/PhysRevLett.99.019704 PG 1 WC Physics, Multidisciplinary SC Physics GA 187AO UT WOS:000247819900060 ER PT J AU Zhao, J Dai, PC Li, SL Freeman, PG Onose, Y Tokura, Y AF Zhao, Jun Dai, Pengcheng Li, Shiliang Freeman, Paul G. Onose, Y. Tokura, Y. TI Neutron-spin resonance in the optimally electron-doped superconductor Nd1.85Ce0.15CuO4-delta SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC EXCITATIONS; STRIPES; LA2-XSRXCUO4; YBA2CU3O6+X; SCATTERING; ORDER AB We use inelastic neutron scattering to probe magnetic excitations of an optimally electron-doped superconductor Nd1.85Ce0.15CuO4-delta above and below its superconducting transition temperature T-c=25 K. In addition to gradually opening a spin pseudogap at the antiferromagnetic ordering wave vector Q=(1/2,1/2,0), the effect of superconductivity is to form a resonance centered also at Q=(1/2,1/2,0) but at energies above the spin pseudogap. The intensity of the resonance develops like a superconducting order parameter, similar to those for hole-doped superconductors and electron-doped Pr0.88LaCe0.12CuO4. The resonance is therefore a general phenomenon of cuprate superconductors, and must be fundamental to the mechanism of high-T-c superconductivity. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Japan Sci & Technol, ERATO, Spin Superstruct Project, Tsukuba, Ibaraki 3058562, Japan. Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. RP Dai, PC (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM daip@ornl.gov RI Li, Shiliang/B-9379-2009; Onose, Yoshinori/F-1977-2010; Zhao, Jun/A-2492-2010; Dai, Pengcheng /C-9171-2012; Tokura, Yoshinori/C-7352-2009; Freeman, Paul/F-5372-2014 OI Zhao, Jun/0000-0002-0421-8934; Dai, Pengcheng /0000-0002-6088-3170; Freeman, Paul/0000-0002-5376-8940 NR 30 TC 36 Z9 37 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 6 PY 2007 VL 99 IS 1 AR 017001 DI 10.1103/PhysRevLett.99.017001 PG 4 WC Physics, Multidisciplinary SC Physics GA 187AO UT WOS:000247819900042 PM 17678181 ER PT J AU Putnam, NH Srivastava, M Hellsten, U Dirks, B Chapman, J Salamov, A Terry, A Shapiro, H Lindquist, E Kapitonov, VV Jurka, J Genikhovich, G Grigoriev, IV Lucas, SM Steele, RE Finnerty, JR Technau, U Martindale, MQ Rokhsar, DS AF Putnam, Nicholas H. Srivastava, Mansi Hellsten, Uffe Dirks, Bill Chapman, Jarrod Salamov, Asaf Terry, Astrid Shapiro, Harris Lindquist, Erika Kapitonov, Vladimir V. Jurka, Jerzy Genikhovich, Grigory Grigoriev, Igor V. Lucas, Susan M. Steele, Robert E. Finnerty, John R. Technau, Ulrich Martindale, Mark Q. Rokhsar, Daniel S. TI Sea anemone genome reveals ancestral eumetazoan gene repertoire and genomic organization SO SCIENCE LA English DT Article ID NEMATOSTELLA-VECTENSIS ANTHOZOA; RELAXED MOLECULAR CLOCK; CAENORHABDITIS-ELEGANS; EUKARYOTIC EVOLUTION; ANIMAL DEVELOPMENT; EXPRESSION; ORIGINS; CNIDARIANS; COMPLEXITY; HOX AB Sea anemones are seemingly primitive animals that, along with corals, jellyfish, and hydras, constitute the oldest eumetazoan phylum, the Cnidaria. Here, we report a comparative analysis of the draft genome of an emerging cnidarian model, the starlet sea anemone Nematostella vectensis. The sea anemone genome is complex, with a gene repertoire, exon-intron structure, and large-scale gene linkage more similar to vertebrates than to flies or nematodes, implying that the genome of the eumetazoan ancestor was similarly complex. Nearly one-fifth of the inferred genes of the ancestor are eumetazoan novelties, which are enriched for animal functions like cell signaling, adhesion, and synaptic transmission. Analysis of diverse pathways suggests that these gene "inventions" along the lineage leading to animals were likely already well integrated with preexisting eukaryotic genes in the eumetazoan progenitor. C1 Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Ctr Integrat Genom, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Genet Informat Res Inst, Mountain View, CA 94043 USA. Univ Bergen, Sars Int Ctr Marine Mol Biol, N-5008 Bergen, Norway. Univ Calif Irvine, Dept Biol Chem, Irvine, CA 92697 USA. Univ Calif Irvine, Ctr Dev Biol, Irvine, CA 92697 USA. Boston Univ, Dept Biol, Boston, MA 02215 USA. Univ Hawaii, Kewalo Marine Lab, Honolulu, HI 96813 USA. RP Rokhsar, DS (reprint author), Dept Energy Joint Genome Inst, Walnut Creek, CA 94598 USA. EM dsrokhsar@lbl.gov RI Putnam, Nicholas/B-9968-2008; OI Putnam, Nicholas/0000-0002-1315-782X; Genikhovich, Grigory/0000-0003-4864-7770; Technau, Ulrich/0000-0003-4472-8258 FU NLM NIH HHS [5 P41 LM006252-09]; PHS HHS [THL007279F] NR 71 TC 787 Z9 928 U1 10 U2 109 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 6 PY 2007 VL 317 IS 5834 BP 86 EP 94 DI 10.1126/science.1139158 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 186KD UT WOS:000247776700056 PM 17615350 ER PT J AU Sabbah, H Biennier, L Sims, IR Georgievskii, Y Klippenstein, SJ Smith, IWM AF Sabbah, Hassan Biennier, Ludovic Sims, Ian R. Georgievskii, Yuri Klippenstein, Stephen J. Smith, Ian W. M. TI Understanding reactivity at very low temperatures: The reactions of oxygen atoms with alkenes SO SCIENCE LA English DT Article ID NEUTRAL-NEUTRAL REACTIONS; KINETICS; HYDROCARBONS; FRONTIER; O(P-3); OH AB A remarkable number of reactions between neutral free radicals and neutral molecules have been shown to remain rapid down to temperatures as low as 20 kelvin. The rate coefficients generally increase as the temperature is lowered. We examined the reasons for this temperature dependence through a combined experimental and theoretical study of the reactions of O(P-3)atoms with a range of alkenes. The factors that control the rate coefficients were shown to be rather subtle, but excellent agreement was obtained between the experimental results and microcanonical transition state theory calculations based on ab initio representations of the potential energy surfaces describing the interaction between the reactants. C1 Univ Cambridge, Chem Lab, Cambridge CB2 1EW, England. Univ Rennes 1, CNRS,UMR 6627,Equipe Astrochim Expt, Inst Phys Rennes, Lab PALMS, F-35042 Rennes, France. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Sims, IR (reprint author), Univ Cambridge, Chem Lab, Lensfield Rd, Cambridge CB2 1EW, England. EM ian.sims@univ-rennes1.fr; sjk@anl.gov; i.w.m.smith@bham.ac.uk RI Sabbah, Hassan/E-6202-2013; Sims, Ian/F-8989-2014; Biennier, Ludovic/O-1618-2014; OI Sims, Ian/0000-0001-7870-1585; Klippenstein, Stephen/0000-0001-6297-9187 NR 17 TC 77 Z9 78 U1 10 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 6 PY 2007 VL 317 IS 5834 BP 102 EP 105 DI 10.1126/science.1142373 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 186KD UT WOS:000247776700059 PM 17615352 ER PT J AU Wunderlich, B AF Wunderlich, Bernhard TI Glass transition as a key to identifying solid phases SO JOURNAL OF APPLIED POLYMER SCIENCE LA English DT Article DE calorimetry; crystallization; glass transition; thermal properties ID TEMPERATURE-MODULATED CALORIMETRY; HEAT-CAPACITY; CRYSTALS; MACROMOLECULES; POLYETHYLENE; POLY(OXY-2,6-DIMETHYL-1,4-PHENYLENE); POLY(OXYETHYLENE); SEMICRYSTALLINE; CRYSTALLIZATION; MESOPHASES AB The earlier suggested definition, "a solid is a condensed phase at a temperature below its glass transition," has developed into the key to the understanding of macromolecular materials. Its importance and implications for the understanding of not only polymers but all materials are reviewed in this article. A macromolecular sample can be a system consisting of a single amorphous phase or be a molecularly coupled multiphase system of different degrees of order and metastability in its subsystems. It is well known that liquid crystals, plastic crystals, and conformationally disordered crystals are still ordered above the glass transition, but recently even the monoclinic crystals of poly (oxyethylene) have been shown to have an additional glass transition below the melting temperature. This supports the inference that in the delineation of the solid state, the glass transitions take preference to melting transitions. The main tools for recognizing the different equilibrium and nonequilibrium phases are differential scanning calorimetry and temperature-modulated differential scanning calorimetry. Such calorimetry yields quantitative heat capacities to be interpreted in terms of molecular motion and latent heats. Separated into reversible and irreversible contributions, the entropy changes connected to ordering and disordering can be evaluated. The value of the recognition of phase transitions lies in the fact that materials must be pliable for being manufactured into a final shape but often need high modulus and strength in their applications. Near the glass transition, forming is easy, whereas below the glass-transition temperature, a high modulus is reached for properly oriented polymer molecules. By the identification of the glass transitions of materials with different states of order, a better understanding of the solid state of soft materials is reached. (C) 2007 Wiley Periodicals, Inc. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Wunderlich, B (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM wunderlich@chartertn.net NR 47 TC 18 Z9 18 U1 0 U2 10 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0021-8995 J9 J APPL POLYM SCI JI J. Appl. Polym. Sci. PD JUL 5 PY 2007 VL 105 IS 1 BP 49 EP 59 DI 10.1002/app.26110 PG 11 WC Polymer Science SC Polymer Science GA 167QK UT WOS:000246466000007 ER PT J AU Kohler, C Frauenheim, T Hourahine, B Seifert, G Sternberg, M AF Kohler, Christof Frauenheim, Thomas Hourahine, Ben Seifert, Gotthard Sternberg, Michael TI Treatment of collinear and noncollinear electron spin within an approximate density functional based method SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article; Proceedings Paper CT 232nd National Meeting of the American-Chemical-Society CY SEP 10-14, 2006 CL San Francisco, CA SP Amer Chem Soc ID COMPLEX MATERIALS; GROUND-STATE; MAGNETISM; CLUSTERS; SIMULATIONS; SYSTEMS; IRON AB We report benchmark calculations of the density functional based tight-binding method concerning the magnetic properties of small iron clusters (Fe-2 to Fe-5) and the Fe-13 icosahedron. Energetics and stability with respect to changes of cluster geometry of collinear and noncollinear spin configurations are in good agreement with ab initio results. The inclusion of spin-orbit coupling has been tested for the iron dimer. C1 Univ Bremen, Ctr Computat Mat Sci, D-28359 Bremen, Germany. Univ Strathclyde, Dept Phys, SUPA, Glasgow G4 0NG, Lanark, Scotland. Tech Univ Dresden, Inst Phys Chem & Elektrochem, D-01062 Dresden, Germany. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Kohler, C (reprint author), Univ Bremen, Ctr Computat Mat Sci, D-28359 Bremen, Germany. EM c.koehler@bccms.uni-bremen.de RI Frauenheim, Thomas/C-5653-2015; OI Frauenheim, Thomas/0000-0002-3073-0616; Hourahine, Benjamin/0000-0002-7667-7101 NR 34 TC 33 Z9 33 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 5 PY 2007 VL 111 IS 26 BP 5622 EP 5629 DI 10.1021/jp068802p PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 183LF UT WOS:000247573600004 PM 17428041 ER PT J AU Feaver, A Sepehri, S Shamberger, P Stowe, A Autrey, T Cao, GZ AF Feaver, Aaron Sepehri, Saghar Shamberger, Patrick Stowe, Ashley Autrey, Tom Cao, Guozhong TI Coherent carbon cryogel-ammonia borane nanocomposites for H-2 storage SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID N-H COMPOUNDS; THERMAL-DECOMPOSITION; HYDROGEN RELEASE; ELECTRON-MICROSCOPY; MATRIX AB Coherent carbon cryogel-ammonia borane (C-AB) nanocomposites were synthesized, and improved H-2 storage properties are reported. Porous carbon cryogels were impregnated with AB in tetrahydrofuran solution at 25 degrees C under argon; 30% of the carbon cryogel pore volume was filled to produce a 24 wt % C-AB nanocomposite. Nitrogen sorption isotherms, X-ray diffraction, differential scanning calorimetry, differential thermal/thermal gravimetric analyses, mass spectrometry, and B-11 NMR were used to characterize the coherent C-AB nanocomposites. Findings include a merged two-step hydrogen release reaction with an appreciable reduction in the dehydrogenation temperature to < 90 degrees C as well as the suppression of borazine release. The possible nanosize effects on the H-2 storage properties are discussed. C1 Univ Washington, Seattle, WA 98195 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cao, GZ (reprint author), Univ Washington, 302 Roberts Hall,Box 352120, Seattle, WA 98195 USA. EM gzcao@u.washington.edu RI Cao, Guozhong/E-4799-2011; Shamberger, Patrick/I-8999-2012; Shamberger, Patrick/C-4795-2014 OI Shamberger, Patrick/0000-0003-4190-2070; Shamberger, Patrick/0000-0002-8737-6064 NR 21 TC 121 Z9 125 U1 3 U2 33 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 5 PY 2007 VL 111 IS 26 BP 7469 EP 7472 DI 10.1021/jp072448t PG 4 WC Chemistry, Physical SC Chemistry GA 183VE UT WOS:000247599500001 PM 17567167 ER PT J AU Luo, HM Jain, M Baily, SA McCleskey, TM Burrell, AK Bauer, E DePaula, RF Dowden, PC Civale, L Jia, QX AF Luo, H. M. Jain, M. Baily, S. A. McCleskey, T. M. Burrell, A. K. Bauer, E. DePaula, R. F. Dowden, P. C. Civale, L. Jia, Q. X. TI Structural and ferromagnetic properties of epitaxial SrRuO3 thin films obtained by polymer-assisted deposition SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID CHEMICAL SOLUTION DEPOSITION; VAPOR-DEPOSITION; BUFFER LAYER; 001 SRTIO3; MICROSTRUCTURE; GROWTH; SUBSTRATE; LAALO3 AB Epitaxial ferromagnetic SrRuO3 thin films with a room-temperature resistivity of 300 mu Omega center dot cm have been successfully grown on LaAlO3(001) substrates at a processing temperature in the range of 550-750 degrees C by a polymer-assisted deposition technique. X-ray diffraction analysis shows good epitaxial quality of SrRuO3 thin films, giving values of the full width at half-maximum (FWHM) of 0.42 degrees from the rocking curve for the (002) reflection and 1.1 degrees from the in-plane phi scan for the (204) reflection. Both the resistivity and the magnetization versus temperature measurements show that the SrRuO3 films are ferromagnetic with a transition temperature of 160 K. The spontaneous magnetization near the ferromagnetic transition follows the scaling law, and the low-temperature magnetization follows the Bloch law. C1 Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Luo, HM (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM hluo@lanl.gov; qxjia@lanl.gov RI McCleskey, Thomas/J-4772-2012; Jia, Q. X./C-5194-2008; OI Jain, Menka/0000-0002-2264-6895; Civale, Leonardo/0000-0003-0806-3113; Mccleskey, Thomas/0000-0003-3750-3245 NR 25 TC 12 Z9 12 U1 1 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 5 PY 2007 VL 111 IS 26 BP 7497 EP 7500 DI 10.1021/jp0718451 PG 4 WC Chemistry, Physical SC Chemistry GA 183VE UT WOS:000247599500006 PM 17571878 ER PT J AU Martinez, J Talroze, R Watkins, E Majewski, JP Stroeve, P AF Martinez, Julio Talroze, Raisa Watkins, Erik Majewski, Jaroslaw P. Stroeve, Pieter TI Templating polypeptides on self-assembled hemicylindrical surface micelles SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID POLYELECTROLYTE MULTILAYER FILMS; PLASMON RESONANCE SPECTROSCOPY; DODECYL-SULFATE ADSORPTION; HYBRID BILAYER-MEMBRANES; BOVINE SERUM-ALBUMIN; POLY-L-ARGININE; NEUTRON REFLECTOMETRY; WATER-INTERFACE; INFRARED-SPECTRA; MONOLAYERS AB The adsorption of both random coil and alpha-helical poly L-arginine (PLA) on a surface templated by sodium dodecyl sulfate (SDS) hemicylindrical micelles is investigated and compared. Both secondary structures of PLA irreversibly adsorb on the SDS hemimicelles preserving the secondary conformation present in solution. However, the hemicylindrical SDS surface micelles induce aligned ordering of the alpha-helical PLA molecules by the adsorption of them into the grooves and at the top of the hemimicelles. For random coil PLA, ordering is not promoted by the surface hemimicelles. The surface concentration of the alpha-helical PLA is approximately 2 times larger than that for the random coil PLA although electrostatic attraction to the surface is largely screened by the presence of NaClO4 for the alpha-helical case. The results indicate that the adsorption process for alpha-helical PLA case is governed by a combination of electrostatic and van der Waals forces. Neutron reflectivity data show that the templated surface of surface micelles is not appreciably distorted by PLA adsorption. The nanostructure of surface micelles can induce order of a subsequent layer of adsorbed molecules allowing construction of macromolecular assemblies. C1 Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif San Francisco, Dept Pharmaceut Sci, San Francisco, CA 94143 USA. RP Stroeve, P (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, 1 Shields Ave, Davis, CA 95616 USA. EM pstroeve@ucdavis.edu RI Lujan Center, LANL/G-4896-2012 NR 49 TC 4 Z9 4 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 5 PY 2007 VL 111 IS 26 BP 9211 EP 9220 DI 10.1021/jp0687798 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 183VC UT WOS:000247599300033 ER PT J AU Deskins, NA Kerisit, S Rosso, KM Dupuis, M AF Deskins, N. Aaron Kerisit, Sebastien Rosso, Kevin M. Dupuis, Michel TI Molecular dynamics characterization of rutile-anatase interfaces SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ENERGY ELECTRON-DIFFRACTION; TITANIUM-DIOXIDE; PHOTOCATALYTIC PROPERTIES; TIO2 SURFACES; ATOMISTIC SIMULATION; TIO2(110) SURFACE; TIO2(001) SURFACE; TO-RUTILE; PHASE; MORPHOLOGY AB We report molecular dynamics (MD) simulations of interfaces between rutile and anatase surfaces of TiO2. These interfaces are important for understanding mixed-phase catalysts, such as the Degussa P25 catalyst, and in particular as a first step toward characterizing electron/hole transport in these photoactive materials. Construction of these interfaces was possible with near-coincidence-site lattice (NCSL) theory. The results suggest adhesion energies for the most stable structures typically near -2 J/m(2), and the interfaces appear energetically favorable due to an increase of six-coordinate Ti atoms (Ti-6c). Two other notable observations emerge from this work. First, the interfaces are characterized as slightly disordered, with the disorder limited to a narrow region at the interface, in agreement with experiment. Second, formation of rutile octahedral structures was observed at the anatase side of the interface due to surface rearrangement. This appears as the beginning of an anatase-to-rutile phase transition. C1 Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99354 USA. RP Deskins, NA (reprint author), Pacific NW Natl Lab, Chem & Mat Sci Div, Battelle Blvd,K1-83, Richland, WA 99354 USA. EM nathaniel.deskins@pnl.gov RI Deskins, Nathaniel/H-3954-2012 NR 53 TC 36 Z9 37 U1 7 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 5 PY 2007 VL 111 IS 26 BP 9290 EP 9298 DI 10.1021/jp0713211 PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 183VC UT WOS:000247599300044 ER PT J AU Liu, JC Culp, JT Natesakhawat, S Bockrath, BC Zande, B Sankar, SG Garberoglio, G Johnson, JK AF Liu, Jinchen Culp, Jeffrey T. Natesakhawat, Sittichai Bockrath, Bradley C. Zande, Brian Sankar, S. G. Garberoglio, Giovanni Johnson, J. Karl TI Experimental and theoretical studies of gas adsorption in Cu-3(BTC)(2): An effective activation procedure SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO SIMULATIONS; LENNARD-JONES SYSTEMS; FORCE-FIELD; HYDROGEN ADSORPTION; SORPTION PROPERTIES; HIGH-CAPACITY; SURFACE-AREA; LIGHT GASES AB We have improved the activation process for CuBTC [Cu-3(BTC)(2), BTC = 1,3,5-benzenetricarboxylate] by extracting the N,N-dimethylformamide-solvated crystals with methanol; we identify material activated in this way as CuBTC-MeOH. This improvement allowed the activation to be performed at a much lower temperature, thus greatly mitigating the danger of reducing the copper ions. A review of the literature for H-2 adsorption in CuBTC shows that the preparation and activation process has a significant impact on the adsorption capacity, surface area, and pore volume. CuBTC-MeOH exhibits a larger pore volume and H-2 adsorption amount than any previously reported results for CuBTC. We have performed atomically detailed modeling to complement experimentally measured isotherms. Quantum effects for hydrogen adsorption in CuBTC were found to be important at 77 K. Simulations that include quantum effects are in good agreement with the experimentally measured capacity for H-2 at 77 K and high pressure. However, simulations underpredict the amount adsorbed at low pressures. We have compared the adsorption isotherms from simulations with experiments for H-2 adsorption at 77, 87, 175, and 298 K; nitrogen adsorption at 253 and 298 K; and argon adsorption at 298 and 356 K. Reasonable agreement was obtained in all cases. C1 Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15260 USA. Parsons Project Serv Inc, South Pk, PA 15129 USA. Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. Adv Mat Corp, Pittsburgh, PA 15220 USA. Univ Trent, Dipartimento Fis, I-38100 Trento, Italy. RP Liu, JC (reprint author), Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15260 USA. RI Culp, Jeffrey/B-1219-2010; Johnson, Karl/E-9733-2013; OI Culp, Jeffrey/0000-0002-7422-052X; Johnson, Karl/0000-0002-3608-8003; Garberoglio, Giovanni/0000-0002-9201-2716; Natesakhawat, Sittichai/0000-0003-1272-1238 NR 53 TC 179 Z9 182 U1 13 U2 96 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 5 PY 2007 VL 111 IS 26 BP 9305 EP 9313 DI 10.1021/jp071449i PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 183VC UT WOS:000247599300046 ER PT J AU Arsene, I Bearden, IG Beavis, D Besliu, C Budick, B Boggild, H Chasman, C Christensen, CH Christiansen, P Debbe, R Enger, E Gaardhoje, JJ Germinario, M Hagel, K Holm, A Ito, H Jipa, A Jundt, F Jorde, JI Jorgensen, CE Karabowicz, R Kim, EJ Kozik, T Larsen, TM Lee, JH Lee, YK Lindal, S Lystad, G Lovhoiden, G Majka, Z Makeev, A Mikelsen, M Murray, M Natowitz, J Nielsen, BS Ouerdane, D Planeta, R Rami, F Ristea, C Ristea, O Rhrich, D Samset, BH Sandberg, D Sanders, SJ Staszel, P Tveter, TS Videbaek, F Wada, R Yang, H Yin, Z Zgura, IS AF Arsene, I. Bearden, I. G. Beavis, D. Besliu, C. Budick, B. Boggild, H. Chasman, C. Christensen, C. H. Christiansen, P. Debbe, R. Enger, E. Gaardhoje, J. J. Germinario, M. Hagel, K. Holm, A. Ito, H. Jipa, A. Jundt, F. Jorde, J. I. Jorgensen, C. E. Karabowicz, R. Kim, E. J. Kozik, T. Larsen, T. M. Lee, J. H. Lee, Y. K. Lindal, S. Lystad, G. Lovhoiden, G. Majka, Z. Makeev, A. Mikelsen, M. Murray, M. Natowitz, J. Nielsen, B. S. Ouerdane, D. Planeta, R. Rami, F. Ristea, C. Ristea, O. Rohrich, D. Samset, B. H. Sandberg, D. Sanders, S. J. Staszel, P. Tveter, T. S. Videbaek, F. Wada, R. Yang, H. Yin, Z. Zgura, I. S. TI Nuclear modification factor for charged pions and protons at forward rapidity in central Au plus Au collisions at 200 GeV SO PHYSICS LETTERS B LA English DT Article DE particle production; nuclear modification factor ID TRANSVERSE-MOMENTUM; D+AU COLLISIONS; P+P; QCD AB We present spectra of charged pions and protons in 0-10% central Au + Au collisions at root s(NN) = 200 GeV at mid-rapidity (y = 0) and forward pseudorapidity (eta = 2.2) measured with the BRARMS experiment at RHIC. The spectra are compared to spectra from p + p collisions at the same energy scaled by the Dumber of binary collisions. The resulting nuclear modification factors for central Au + Au collisions at both y = 0 and eta = 2.2 exhibit suppression for charged pions but not for (anti-) protons at intermediate PT. The (p) over bar /pi(-) ratios have been measured up to PT similar to 3 GeV/c at the two rapidifies and the results indicate that a significant fraction of the charged hadrons produced at intermediate PT range are (anti-) protons at both mid-rapidity and eta = 2.2. (c) 2007 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Inst Rech Subatom, Strasbourg, France. Univ Strasbourg 1, Strasbourg, France. Inst Nucl Phys, Krakow, Poland. Jagiellonian Univ, M Smoluchkowski Inst Phys, Krakow, Poland. Johns Hopkins Univ, Baltimore, MD 21218 USA. NYU, New York, NY 10003 USA. Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. Texas A&M Univ, College Stn, TX USA. Univ Bergen, Dept Phys, Bergen, Norway. Univ Bucharest, Bucharest, Romania. Univ Kansas, Lawrence, KS 66045 USA. Univ Oslo, Dept Phys, Oslo, Norway. RP Yin, Z (reprint author), Huazhong Normal Univ, Inst Particle Phys, Wuhan 40079, Peoples R China. EM zhongbao.yin@ift.uib.no RI Christensen, Christian Holm/A-4901-2010; Christensen, Christian/D-6461-2012; Yang, Hongyan/J-9826-2014; Bearden, Ian/M-4504-2014; Samset, Bjorn H./B-9248-2012 OI Christensen, Christian Holm/0000-0002-1850-0121; Christensen, Christian/0000-0002-1850-0121; Bearden, Ian/0000-0003-2784-3094; Samset, Bjorn H./0000-0001-8013-1833 NR 33 TC 10 Z9 10 U1 0 U2 7 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 5 PY 2007 VL 650 IS 4 BP 219 EP 223 DI 10.1016/j.physletb.2007.05.017 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 191NN UT WOS:000248138100001 ER PT J AU Hayes, AC Friar, JL AF Hayes, A. C. Friar, J. L. TI Sensitivity of nuclear transition frequencies to temporal variation of the fine structure constant or the strong interaction SO PHYSICS LETTERS B LA English DT Article AB There exist in nature a few nuclear isomers with very low (eV) excitation energies, and the combination of low energy and narrow width makes them possible candidates for laser-based investigations. The best candidate is the lowest-energy excited state known in nuclear physics, the 7.6(5) eV isomer of Th-229. A recent study suggests that a measurement of the temporal variation of the excitation energy of this isomer would have 5-6 orders of magnitude enhanced sensitivity to a variation of the fine structure constant (alpha congruent to 1/137.036) or of a strong interaction parameter (m(q)/Delta(QCD)). We reexamine the physics involved in these arguments. By invoking the Feynman-Hellmann Theorem we argue that there is no expectation of significantly enhanced sensitivity to a variation in the fine structure constant (beyond that obtained from experimental considerations such as the low energy and narrow width of the isomer). A similar argument applies for the strong interaction, but evaluating the shift due to temporal variations of the underlying parameters of the strong interaction may be beyond current nuclear structure techniques. (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hayes, AC (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM anna-hayes@lanl.gov NR 15 TC 18 Z9 18 U1 0 U2 2 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 5 PY 2007 VL 650 IS 4 BP 229 EP 232 DI 10.1016/j.physletb.2007.05.021 PG 4 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 191NN UT WOS:000248138100003 ER PT J AU Deur, A Burkert, V Chen, JP Korsch, W AF Deur, A. Burkert, V. Chen, J. P. Korsch, W. TI Experimental determination of the effective strong coupling constant SO PHYSICS LETTERS B LA English DT Article ID BJORKEN SUM-RULE; SPIN STRUCTURE; QUANTUM CHROMODYNAMICS; EFFECTIVE CHARGES; NUCLEON; QCD; SCATTERING; ALGEBRA; G(1)(N); PROTON AB We present a first attempt to experimentally extract an effective strong coupling constant that we define to be a low Q(2) extension of a previous definition by S. Brodsky et al. following an initial work of G. Grunberg. Using Jefferson Lab data and sum rules, we establish its Q(2)-behavior over the complete Q(2)-range. The result is compared to effective coupling constants inferred from different processes and to calculations based on Schwinger-Dyson equations, hadron spectroscopy or lattice QCD. Although the connection between the experimentally extracted effective coupling constants and the calculations is not established it is interesting to note that their behaviors are similar. (c) 2007 Elsevier B. V. All rights reserved. C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Univ Kentucky, Lexington, KY 40506 USA. RP Deur, A (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. EM deurpam@jlab.org NR 47 TC 53 Z9 53 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 5 PY 2007 VL 650 IS 4 BP 244 EP 248 DI 10.1016/j.physletb.2007.05.015 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 191NN UT WOS:000248138100006 ER PT J AU Hays, J Reddy, KM Graces, NY Engelhard, MH Shutthanandan, V Luo, M Xu, C Giles, NC Wang, C Thevuthasan, S Punnoose, A AF Hays, J. Reddy, K. M. Graces, N. Y. Engelhard, M. H. Shutthanandan, V. Luo, M. Xu, C. Giles, N. C. Wang, C. Thevuthasan, S. Punnoose, A. TI Effect of Co doping on the structural, optical and magnetic properties of ZnO nanoparticles SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID EFFECTIVE IONIC-RADII; ZN1-XCOXO THIN-FILMS; DOPED ZNO; FERROMAGNETIC SEMICONDUCTORS; ZINC-OXIDE; ROOM-TEMPERATURE; ELECTRON METAMAGNETISM; RAMAN-SCATTERING; METAL TARGETS; IMPLANTED ZNO AB We report the results of a detailed investigation of sol - gel- synthesized nanoscale Zn1-xCoxO powders processed at 350 degrees C with 0 <= x <= 0.12 to understand how the structural, morphological, optical and magnetic properties of ZnO are modified by Co doping, in addition to searching for the theoretically predicted ferromagnetism. With x increasing to 0.03, both lattice parameters a and c of the hexagonal ZnO decreased, suggesting substitutional doping of Co at the tetrahedral Zn2+ sites. For x > 0.03, these trends reversed and the lattice showed a gradual expansion as x approached 0.12, probably due to additional interstitial incorporation of Co. Raman spectroscopy measurements showed a rapid change in the ZnO peak positions for x > 0.03, suggesting significant disorder and changes in the ZnO structure, in support of additional interstitial Co doping possibility. Combined x- ray photoelectron spectroscopy ( XPS), electron paramagnetic resonance spectroscopy, photoluminescence spectroscopy and diffuse reflectance spectroscopy showed clear evidence for tetrahedrally coordinated high- spin Co2+ ions occupying the lattice sites of ZnO host system, which became saturated for x > 0.03. Magnetic measurements showed a paramagnetic behaviour in Zn1-xCoxO with increasing antiferromagnetic interactions as x increased to 0.10. Surprisingly, a weak ferromagnetic behaviour was observed for the sample with x = 0.12 with a characteristic hysteresis loop showing a coercivity H-c similar to 350 Oe, 25% remanence M-r, a low saturation magnetization M-s similar to 0.04 emu g- 1 and with a Curie temperature T-C similar to 540 K. The XPS data collected from Zn1-xCoxO samples showed a gradual increase in the oxygen concentration, changing the oxygen- deficient undoped ZnO to an excess oxygen state for x = 0.12. This indicates that such high Co concentrations and appropriate oxygen stoichiometry may be needed to achieve adequate ferromagnetic exchange coupling between the incorporated Co2+ ions. C1 Boise State Univ, Dept Phys, Boise, ID 83725 USA. W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Punnoose, A (reprint author), Boise State Univ, Dept Phys, Boise, ID 83725 USA. EM apunnoos@boisestate.edu RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 NR 82 TC 60 Z9 62 U1 1 U2 24 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 4 PY 2007 VL 19 IS 26 AR 266203 DI 10.1088/0953-8984/19/26/266203 PG 24 WC Physics, Condensed Matter SC Physics GA 180XG UT WOS:000247400700011 PM 21694080 ER PT J AU Georgiev, PA Albinati, A Mojet, BL Ollivier, J Eckert, J AF Georgiev, Peter A. Albinati, Alberto Mojet, Barbara L. Ollivier, Jacques Eckert, Juergen TI Observation of exceptionally strong binding of molecular hydrogen in a porous material: Formation of an eta(2)-H-2 complex in a Cu-exchanged ZSM-5 zeolite SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID INELASTIC NEUTRON-SCATTERING; COPPER-MODIFIED ZSM-5; LOW-TEMPERATURE; ADSORPTION; ROTATION; BARRIER; LIGAND; H-2 AB We have measured the rotational tunneling spectrum of a Cu-ZSM-5 zeolite after loading with H-2, by means of inelastic incoherent neutron scattering. The peaks at +/- 0.80 and +/- 1.73 cm(-1) unambiguously demonstrate the formation of a strongly bound Cu(eta(2)-H-2) complex. C1 Univ Milan, Dept Struct Chem, I-20123 Milan, Italy. Univ Twente, Inst Mech Proc & Cntrol, Fac Sci & Technol, NL-7500 AE Enschede, Netherlands. Inst Laue Langevin, F-38042 Grenoble, France. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. LANSCE LC, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Albinati, A (reprint author), Univ Milan, Dept Struct Chem, 21 Via G Venezian, I-20123 Milan, Italy. EM alberto.albinati@unimi.it RI Albinati, Alberto/I-1262-2015 OI Albinati, Alberto/0000-0002-8779-3327 NR 20 TC 52 Z9 52 U1 2 U2 12 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 4 PY 2007 VL 129 IS 26 BP 8086 EP + DI 10.1021/ja072240l PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 183HO UT WOS:000247563700018 PM 17567015 ER PT J AU Krstic, PS Reinhold, CO Stuart, SJ AF Krstic, P. S. Reinhold, C. O. Stuart, S. J. TI Chemical sputtering from amorphous carbon under bombardment by deuterium atoms and molecules SO NEW JOURNAL OF PHYSICS LA English DT Article ID ATJ GRAPHITE; METHANE PRODUCTION; D-IONS; ENERGY; EROSION; HYDROCARBONS; SURFACES; IMPACT; YIELDS AB We perform classical molecular dynamics simulations of the chemical sputtering of deuterated amorphous carbon surfaces by D and D-2, at energies of 7.5-30 eV D-1. Particular attention is paid to the preparation of the target surfaces for varying impact projectile fluence, energy and species, to the vibrational state of D-2 projectiles, as well as to the variation in sputtering yields with target surface and impact projectile. The methane and acetylene sputtering yields per deuteron, obtained with atomic and molecular projectiles, agree quantitatively with recent experimental values. We study the distribution of sputtered species, as well as their kinetic energy and angular spectra. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Clemson Univ, Dept Chem, Clemson, SC 29634 USA. RP Krstic, PS (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. EM krsticp@ornl.gov RI Stuart, Steven/H-1111-2012; OI Reinhold, Carlos/0000-0003-0100-4962 NR 26 TC 32 Z9 32 U1 0 U2 2 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 4 PY 2007 VL 9 AR 209 DI 10.1088/1367-2630/9/7/209 PG 25 WC Physics, Multidisciplinary SC Physics GA 188XQ UT WOS:000247953000002 ER PT J AU Kraack, H Tamam, L Sloutskin, E Deutsch, M Ocko, BM AF Kraack, H. Tamam, L. Sloutskin, E. Deutsch, M. Ocko, B. M. TI Alkyl-thiol langmuir films on the surface of liquid mercury SO LANGMUIR LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; X-RAY REFLECTIVITY; ANTHRACENE-DERIVATIVES; MOLECULAR WIRES; DENSITY PROFILE; VAPOR INTERFACE; NORMAL-ALKANES; GOLD SURFACES; ACID; DIFFRACTION AB The coverage dependent phase behavior of monolayers of alkyl thiols (CH3(CH2)(n-1)SH, denoted as CnSH) on mercury was studied for chain lengths 9 <= n <= 22, using surface tensiometry and surface-specific X-ray scattering methods. At low coverage, a disordered single layer of surface-parallel molecules is found for all n. At high coverage, a monolayer of standing-up molecules is formed, exhibiting well-ordered phases, the structure of which is n- and coverage-dependent. The molecular chains pack in a centered rectangular unit cell, with an similar to 27 degrees tilt from the surface normal toward nearest neighbors. The strong sulfur-mercury bond induces a noncentered unit cell for the headgroups, incorporating one mercury atom per two thiol molecules. The small but significant differences in structure of these films on gold and on mercury are discussed and assigned to the different structure of the subphase: long-range-ordered crystal for gold and short-range-ordered liquid for mercury. C1 Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. RP Ocko, BM (reprint author), Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. EM ocko@bnl.gov NR 79 TC 19 Z9 19 U1 0 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 3 PY 2007 VL 23 IS 14 BP 7571 EP 7582 DI 10.1021/la0701430 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 182EF UT WOS:000247487200029 PM 17539663 ER PT J AU Fox, DM Maupin, PH Harris, RH Gilman, JW Eldred, DV Katsoulis, D Trulove, PC De Long, HC AF Fox, Douglas M. Maupin, Paul H. Harris, Richard H., Jr. Gilman, Jeffrey W. Eldred, Donald V. Katsoulis, Dimi Trulove, Paul C. De Long, Hugh C. TI Use of a polyhedral oligomeric silsesquioxane (POSS)-imidazolium cation as an organic modifier for montmorillonite SO LANGMUIR LA English DT Article ID LAYERED-SILICATE NANOCOMPOSITES; POLY(NORBORNYL-POSS) COPOLYMERS; FLAMMABILITY PROPERTIES; POLYMER NANOCOMPOSITES; CLAY NANOCOMPOSITES; THERMAL-DEGRADATION; POSS; POLYPROPYLENE; DISPERSION; INTERCALATION AB Recent studies on organically modified clays (OMCs) have reported enhanced thermal stabilities when using imidazolium-based surfactants over the typical ammonium-based surfactants. Other studies have shown that polyhedral oligomeric silsesquioxanes (POSS) also improve the thermal properties of composites containing these macromers. In an attempt to utilize the beneficial properties of both imidazolium surfactants and POSS macromers, a dual nanocomposite approach to prepare OMCs was used. In this study, the preparation of a new POSS-imidazolium surfactant and its use as an organic modifier for montmorillonite are reported. The purity, solubility, and thermal characteristics of the POSS-imidazolium chloride were evaluated. In addition, several OMCs were prepared by exchanging the Na+ with POSS imidazolium cations equivalent to 100%, 95%, 40%, 20%, and 5% of the cation exchange capacity of the clay. The subsequent OMCs were characterized using thermal analysis techniques (DSC, SDT, and TGA) as well as Si-29 NMR to determine the POSS content in the clay interlayer both before and after thermal oxidation degradation. Results indicate the following: (1) the solvent choice changes the efficiency of the ion-exchange reaction of the clay; (2) self-assembled crystalline POSS domains are present in the clay interlayer; (3) the d-spacing of the exchanged clay is large (3.6 nm), accommodating a bilayer structure of the POSS-imidazolium; and (4) the prepared POSS-imidazolium exchanged clays exhibit higher thermal stabilities than any previously prepared imidazolium or ammonium exchanged montmorillonite. C1 USN Acad, Dept Chem, Annapolis, MD 21402 USA. US DOE, Off Basic Energy Sci, Off Sci, Washington, DC 20585 USA. NIST, Fire Res Div, Bldg & Fire Res Lab, Gaithersburg, MD 20899 USA. Dow Corning Corp, Midland, MI 48686 USA. USAF, Off Sci Res, Directorate Chem & Life Sci, Arlington, VA 22203 USA. RP Fox, DM (reprint author), American Univ, Dept Chem, 4400 Massachusetts Ave,NW, Washington, DC 20016 USA. EM dfox@american.edu NR 39 TC 48 Z9 50 U1 2 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD JUL 3 PY 2007 VL 23 IS 14 BP 7707 EP 7714 DI 10.1021/la0636863 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 182EF UT WOS:000247487200048 PM 17555333 ER PT J AU Gao, Y Wang, CC Wang, L Wang, HL AF Gao, Yuan Wang, Chun-Chih Wang, Leeyih Wang, Hsing-Lin TI Conjugated polyelectrolytes with pH-dependent conformations and optical properties SO LANGMUIR LA English DT Article ID SOLUBLE POLY(P-PHENYLENE VINYLENE); PHENYLENE VINYLENE; POLYMERS; LUMINESCENT; DERIVATIVES; SENSORS; DNA; POLYMERIZATION; SPECTROSCOPY; ETHYNYLENE) AB We report here the synthesis and characterization of two new conjugated polymers: poly {2,5-bis[3-(N,N-diethylammonium acetate)-1-oxapropyl]-1,4-phenylenevinylene}(P1') and poly {2,5-bis[ 3-(N,N,N-triethylammonium bromide)-1-oxapropyl]-1,4-phenylenevinylene} (P2). Both polymers exhibit unique pH-dependent optical properties in aqueous solution. These pH-dependent optical properties are attributed to the mutual electrostatic repulsions of positive charges pendent on the benzene rings. This electrostatic repulsion leads to an increased or decreased torsional angle in the conjugated backbone, thus affecting the effective conjugation length of these polymers. The UV-vis spectra of P1 in various pH solutions exhibit a near-isosbestic point, which indicates changes in the composition of the two distinct conformations ( the charged and the neutral forms). The transition between the highly charged state and the neutral state was clearly observed in the UV-vis and photoluminescence studies on both P1 and P2. This transition is particularly sensitive in the pH range from 6.2 to 7.0, a range that would allow the detection of minor environmental changes. P2 has a quantum efficiency of 14% in water, which is considered to be relatively high among water-soluble PPVs. C1 Natl Taiwan Univ, Ctr Condensed Matter Sci, Taipei 10167, Taiwan. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Wang, L (reprint author), Natl Taiwan Univ, Ctr Condensed Matter Sci, Taipei 10167, Taiwan. EM leewang@ntu.edu.tw; hwang@lanl.gov NR 39 TC 34 Z9 34 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 3 PY 2007 VL 23 IS 14 BP 7760 EP 7767 DI 10.1021/la063536s PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 182EF UT WOS:000247487200055 PM 17559239 ER PT J AU Batra, D Seifert, S Firestone, MA AF Batra, Dolly Seifert, Sonke Firestone, Millicent A. TI The effect of cation structure on the mesophase architecture of self-assembled and polymerized imidazolium-based ionic liquids SO MACROMOLECULAR CHEMISTRY AND PHYSICS LA English DT Article; Proceedings Paper CT Symposium on Polymer Architecture - From Structure to Functional Control held at the 1st European Chemistry Congress CY AUG 30-SEP 01, 2006 CL Budapest, HUNGARY DE nanostructures; photopolymerization; poly(ionic liquids); self-assembly; small angle X-ray scattering (SAXS) ID ROD-COIL MOLECULES; SMALL-ANGLE SCATTERING; CUBIC PHASE; CRYSTALLINE PHASES; CONDUCTIVE FILMS; GYROID PHASES; ORGANIZATION; LAMELLAR; TRANSITION; COPOLYMER AB The binary phase behavior of a series of imidazolium-based ionic liquids (ILs) has been investigated. In particular, the effect of two structural modifications of the imidazolium cation, alkyl chain length, and the introduction of a polymerizable acryloyl group at the alkyl chain terminus, has been studied using small angle X-ray scattering. Upon increasing water content, the non-polymerizable IL, 1-decyl-3-methylimidazolium chloride, adopts mesophase structures of predominately two-dimensional (2D) hexagonal symmetry, including structures intermediate in character between lamellae and 2D hexagonal micelles. Introduction of a photopolymerizable acryloyl functional group to form 1-(10-(acryloyloxy)decyl)-3-methyl-imidazoliurn chloride produces a rod-coil IL cation that yields self-assembled mesophases in which the formation of tetragonal morphologies is favored. Covalent linking of the IL cations by UV-induced polymerization converts the lyotropic mesophase into three-dimensional biocontinuous chemical gels. Reducing the alkyl chain length, as in the polymerizable IL cation 1-(8-(acryloyloxy)octyl)-3-methylimidazolium chloride, severely reduces the self-assembled mesophase order, and triggers the formation of only weakly ordered one-dimensional lamellar structures. C1 Argonne Natl Lab, Mat Sci Div, Argonne, IL 60439 USA. Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Firestone, MA (reprint author), Argonne Natl Lab, Mat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM firestone@anl.gov NR 35 TC 39 Z9 40 U1 6 U2 27 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1352 J9 MACROMOL CHEM PHYSIC JI Macromol. Chem. Phys. PD JUL 3 PY 2007 VL 208 IS 13 BP 1416 EP 1427 DI 10.1002/macp.200700174 PG 12 WC Polymer Science SC Polymer Science GA 189TP UT WOS:000248011700012 ER PT J AU Wang, YM Li, J Hamza, AV Barbee, TW AF Wang, Yinmin Li, Ju Hamza, Alex V. Barbee, Troy W., Jr. TI Ductile crystalline-amorphous nanolaminates SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE metallic glass; size-dependent plasticity; nanocrystalline materials; amorphous-crystalline interface; tensile ductility ID STRAIN-RATE SENSITIVITY; BULK METALLIC-GLASS; NANOCRYSTALLINE COPPER; SHEAR BANDS; DEFORMATION; PLASTICITY; FILMS; STRENGTH; CU; COMPOSITES AB It is known that the room-temperature plastic deformation of bulk metallic glasses is compromised by strain softening and shear localization, resulting in near-zero tensile ductility. The incorporation of metallic glasses into engineering materials, therefore, is often accompanied by complete brittleness or an apparent loss of useful tensile ductility. Here we report the observation of an exceptional tensile ductility in crystalline copper/copper-zirconium glass nanolaminates. These nanocrystalline-amorphous nanolaminates exhibit a high flow stress of 1.09 +/ 0.02 GPa, a nearly elastic-perfectly plastic behavior without necking, and a tensile elongation to failure of 13.8 +/- 1.7%, which is six to eight times higher than that typically observed in conventional crystalline-crystalline nanolaminates (<2%) and most other nanocrystalline materials. Transmission electron microscopy and atomistic simulations demonstrate that shear banding instability no longer afflicts the 5-to 10-nm-thick nanolaminate glassy layers during tensile deformation, which also act as high-capacity sinks for dislocations, enabling absorption of free volume and free energy transported by the dislocations; the amorphous-crystal interfaces exhibit unique inelastic shear (slip) transfer characteristics, fundamentally different from those of grain boundaries. Nanoscale metallic glass layers therefore may offer great benefits in engineering the plasticity of crystalline materials and opening new avenues for improving their strength and ductility. C1 Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Life Sci Directorate, Livermore, CA 94550 USA. Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. RP Wang, YM (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. EM ymwang@llnl.gov RI Li, Ju/A-2993-2008; Wang, Yinmin (Morris)/F-2249-2010 OI Li, Ju/0000-0002-7841-8058; Wang, Yinmin (Morris)/0000-0002-7161-2034 NR 41 TC 184 Z9 192 U1 10 U2 109 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 3 PY 2007 VL 104 IS 27 BP 11155 EP 11160 DI 10.1073/pnas.0702344104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 188DT UT WOS:000247900000008 PM 17592136 ER PT J AU Hah, SS Mundt, JM Kim, HM Sumbad, RA Turteltaub, KW Henderson, PT AF Hah, Sang Soo Mundt, Janna M. Kim, Hyung M. Sumbad, Rhoda A. Turteltaub, Kenneth W. Henderson, Paul T. TI Measurement of 7,8-dihydro-8-oxo-2'-deoxyguanosine metabolism in MCF-7 cells at low concentrations using accelerator mass spectrometry SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE DNA repair; nucleoside metabolism; oxidative stress; breast cancer ID MISMATCH REPAIR-DEFICIENT; ERRORS IN-VIVO; OXIDATIVE STRESS; CANCER CELLS; ESCHERICHIA-COLI; MAMMALIAN-CELLS; DNA-POLYMERASES; NUCLEOTIDE POOL; G TRANSVERSION; POTENT SOURCES AB Growing evidence suggests that oxidative damage to cells generates mutagenic 7,8-dihydro-8-oxo-2'-deoxyguanosine (8-oxodG), which may initiate diseases related to aging and carcinogenesis. Kinetic measurement of 8-oxodG metabolism and repair in cells has been hampered by poor assay sensitivity and by difficulty characterizing the flux of oxidized nucleoticles through the relevant metabolic pathways. We report here the development of a sensitive and quantitative approach to characterizing the kinetics and metabolic sources of 8-oxodG in MCF-7 human breast cancer cells by accelerator mass spectrometry. We observed that [C-14]8-oxodG at medium concentrations of up to 2 pmol/ml was taken up by MCF-7 cells, phosphorylated to mono-, di-, and triphosphate derivatives, and incorporated into DNA. Oxidative stress caused by exposure of the cells to 17 beta-estradiol resulted in a reduction in the rate of [14 C]8-oxodG incorporation into DNA and an increase in the ratio of 8-oxodG monophosphate (8-oxodGMP) to B-oxodG triphosphate (8-oxodGTP) in the nucleotide pool. 17 beta-Estradiolinduced oxidative stress up-regulated the nucleotide pool cleansing enzyme MTH1 and possibly other Nudix-related pyrophosphohydrolases. These data support the conclusion that 8-oxodGTP is formed in the nucleotide pool by both 8-oxodG metabolism and endogenous reactive oxygen species. The metabolism of 8-oxodG to 8-oxodGTP, followed by incorporation into DNA is a mechanism by which the cellular presence of this oxidized nucleoside can lead to mutations. C1 Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spect, Livermore, CA 94551 USA. RP Henderson, PT (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, 7000 E Ave,L-452, Livermore, CA 94551 USA. EM henderson48@llnl.gov RI Hah, Sang Soo/D-2621-2011 FU NCI NIH HHS [CA55861, P01 CA055861]; NCRR NIH HHS [P41 RR013461, RR13461] NR 46 TC 38 Z9 40 U1 0 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 3 PY 2007 VL 104 IS 27 BP 11203 EP 11208 DI 10.1073/pnas.0701733104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 188DT UT WOS:000247900000017 PM 17592118 ER PT J AU Keavney, DJ Buchholz, DB Ma, Q Chang, RPH AF Keavney, D. J. Buchholz, D. B. Ma, Q. Chang, R. P. H. TI Where does the spin reside in ferromagnetic Cu-doped ZnO? SO APPLIED PHYSICS LETTERS LA English DT Article ID ROOM-TEMPERATURE FERROMAGNETISM; MAGNETIC SEMICONDUCTORS; ABSORPTION AB The authors report a soft x-ray absorption spectroscopy and magnetic circular dichroism study of the ferromagnetism in pulsed-laser-deposited Cu-doped ZnO thin films, which display robust room-temperature ferromagnetic signatures using bulk magnetization probes. In this work, the authors probe the spin asymmetries in the Cu 3d, O 2p, and Zn 3d states individually. They find a paramagnetic component originating from the Cu 3d, and no magnetic signal in the O or Zn. They find no dichroic signal consistent with ferromagnetism originating from any of these states. (c) 2007 American Institute of Physics. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Northwestern Univ, Synchrotron Res Ctr, DND, CAT, Argonne, IL 60439 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Keavney, DJ (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. EM keavney@aps.anl.gov RI Chang, R.P.H/B-7505-2009 NR 22 TC 57 Z9 59 U1 0 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 2 PY 2007 VL 91 IS 1 AR 012501 DI 10.1063/1.2751587 PG 3 WC Physics, Applied SC Physics GA 187AM UT WOS:000247819700040 ER PT J AU You, CY Cerezo, A Clifton, PH Folks, L Carey, MJ Petford-Long, AK AF You, C. Y. Cerezo, A. Clifton, P. H. Folks, L. Carey, M. J. Petford-Long, A. K. TI High resolution structural characterization of giant magnetoresistance structures containing a nano-oxide layer SO APPLIED PHYSICS LETTERS LA English DT Article ID MAGNETIC TUNNEL-JUNCTIONS; ATOM-PROBE ANALYSIS; SPIN-VALVES; THERMAL-STABILITY; FORMATION MECHANISM; BARRIERS; ENHANCEMENT; DIFFUSION AB The microstructure and chemistry of a current-perpendicular-to-plane giant magnetoresistance structure containing a nano-oxide layer (NOL) have been studied using a combination of high resolution transmission electron microscopy and three-dimensional atom probe analysis. It was found that the morphology of the NOL changes from a planar layer to discrete particles on annealing, indicating the dominance of surface energy on the morphology evolution. Direct evidence was obtained for significant Mn diffusion from the IrMn antiferromagnetic layer and partitioning to the oxide region during annealing. (c) 2007 American Institute of Physics. C1 Univ Oxford, Dept Mat, Oxford OX1 3PH, England. Oxford NanoSci, Milton Keynes MK11 3ER, Bucks, England. Hitachi Global Storage Technol, San Jose, CA 95135 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP You, CY (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. EM caiyinyou@yahoo.com RI Petford-Long, Amanda/P-6026-2014; Folks, Liesl/C-7611-2016 OI Petford-Long, Amanda/0000-0002-3154-8090; Folks, Liesl/0000-0003-0161-957X NR 20 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 2 PY 2007 VL 91 IS 1 AR 011905 DI 10.1063/1.2754634 PG 3 WC Physics, Applied SC Physics GA 187AM UT WOS:000247819700023 ER PT J AU Yu, R Hou, PY AF Yu, R. Hou, P. Y. TI First-principles calculations of the effect of Pt on NiAl surface energy and the site preference of Pt SO APPLIED PHYSICS LETTERS LA English DT Article ID ALUMINIDE COATINGS; OXIDATION; ADHESION; GROWTH AB Pt-modified NiAl is widely used as a coating material in industry. In this study, the surface energies of NiAl with and without Pt are investigated using first-principles calculations. The presence of Pt in NiAl takes the surface electronic states to higher energies, resulting in an increased surface energy, which explains some of the beneficial effects of Pt on the oxidation resistance of NiAl. The electronic structure of NiAl-Pt alloys is also analyzed in terms of the site preference of Pt in NiAl. Results show that Pt bonds strongly to Al, giving its site preference on the Ni site. (c) 2007 American Institute of Physics. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Hou, PY (reprint author), Lawrence Berkeley Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pyhou@lbl.gov RI Yu, Rong/A-3011-2008 OI Yu, Rong/0000-0003-1687-3597 NR 25 TC 11 Z9 11 U1 4 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 2 PY 2007 VL 91 IS 1 AR 011907 DI 10.1063/1.2754355 PG 3 WC Physics, Applied SC Physics GA 187AM UT WOS:000247819700025 ER PT J AU Stephenson, NA Bell, AT AF Stephenson, Ned A. Bell, Alexis T. TI Effects of porphyrin composition on the activity and selectivity of the iron(III) porphyrin catalysts for the epoxidation of cyclooctene by hydrogen peroxide SO JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL LA English DT Article DE porphyrin; peroxide; epoxidation; mechanism; cyclooctene ID TETRAKIS(PENTAFLUOROPHENYL) PORPHYRIN; METALLOPORPHYRIN COMPLEXES; METAL-PORPHYRINS; IRON PORPHYRINS; HYDROXYLATION; IODOSYLBENZENE; SUBSTITUENTS; KINETICS; SOLVENT; ALKANES AB A detailed investigation was carried out of the effects of porphyrin composition on the activity and selectivity of iron(III) porphyrin catalysts used for the epoxidation of cyclooctene by hydrogen peroxide. Under conditions where the formation of mu-oxo-dimers can be avoided, the mechanism of cyclooctene epoxidation and hydrogen peroxide decomposition are identical for all of the porphyrin catalysts investigated. It is observed that as the electron-withdrawing character of the phenyl groups is enhanced through halogenation, the tendency of iron(III) porphyrin chloride to dissociate decreases, but the Lewis acidity of the resulting iron(III) porphyrin cation increases. Increasing the Lewis acidity of the Fe(III) center also enhances the rate of heterolytic versus homolytic cleavage of the O-O bond of coordinated hydrogen peroxide, as well as the rate hydrogen peroxide consumption for olefin epoxidation versus peroxide decomposition. We have also shown that solvent composition affects both the extent of hydrogen peroxide coordination to the iron(III) porphyrin cation, thus affecting its activity, and the reactivity of hydrogen peroxide with the iron(IV) pi-radical cation, thus affecting the selectivity with which hydrogen peroxide is used for epoxidation. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, Lawrence Berkeley Lab, 201 Gilman Hall, Berkeley, CA 94720 USA. EM alexbell@berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 NR 43 TC 25 Z9 26 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1381-1169 J9 J MOL CATAL A-CHEM JI J. Mol. Catal. A-Chem. PD JUL 2 PY 2007 VL 272 IS 1-2 BP 108 EP 117 DI 10.1016/j.molcata.2007.03.030 PG 10 WC Chemistry, Physical SC Chemistry GA 181JG UT WOS:000247432400017 ER PT J AU Bresson, E Chevassut, O Pointcheval, D AF Bresson, Emmanuel Chevassut, Olivier Pointcheval, David TI Provably secure authenticated group Diffie-Hellman key exchange SO ACM TRANSACTIONS ON INFORMATION AND SYSTEM SECURITY LA English DT Article DE algorithms; security; cryptography; Diffie-Hellman; group key exchange ID AGREEMENT PROTOCOLS; CHANNELS AB Authenticated key-exchange protocols allow two participants A and B, communicating over a public network and each holding an authentication means to exchange a shared secret value. Methods designed to deal with this cryptographic problem ensure A (resp. B) that no other participants aside from B (resp. A) can learn any information about the agreed value and often also ensure A and B that their respective partner has actually computed this value. A natural extension to this cryptographic method is to consider a pool of participants exchanging a shared secret value and to provide a formal treatment for it. Starting from the famous two-party Diffie-Hellman (DH) key-exchange protocol and from its authenticated variants, security experts have extended it to the multiparty setting for over a decade and, in the past few years, completed a formal analysis in the framework of modern cryptography. The present paper synthesizes this body of work on the provably-secure authenticated group DH key exchange. C1 [Bresson, Emmanuel] DCSSI Cryto Lab, F-75700 Paris 07, SP, France. [Chevassut, Olivier] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Pointcheval, David] Ecole Normale Super, F-75230 Paris 05, France. RP Bresson, E (reprint author), DCSSI Cryto Lab, F-75700 Paris 07, SP, France. EM Emmanuel.Bresson@polytechnique.org; Ochevassut@lbl.gov; David.Pointcheval@ens.fr RI Wang, Yuan/C-8792-2012 NR 72 TC 11 Z9 12 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1094-9224 EI 1557-7406 J9 ACM T INFORM SYST SE JI ACM Trans. Inf. Syst. Secur. PD JUL PY 2007 VL 10 IS 3 AR 10 DI 10.1145/1266977.1266979 PG 45 WC Computer Science, Information Systems SC Computer Science GA 291JF UT WOS:000255192400002 ER PT J AU Ivochkin, AY Karabutov, AA Lyamshev, ML Pelivanov, IM Rohatgi, U Subudhi, M AF Ivochkin, A. Yu. Karabutov, A. A. Lyamshev, M. L. Pelivanov, I. M. Rohatgi, U. Subudhi, M. TI Measurement of velocity distribution for longitudinal acoustic waves in welds by a laser optoacoustic technique SO ACOUSTICAL PHYSICS LA English DT Article ID RESIDUAL-STRESSES; SHEAR-WAVES; SOLIDS; PLATES AB An optoacoustic technique for diagnostics of residual stress in metals is proposed. The theoretical part of the technique employs acoustoelastic relations establishing a linear relationship between the biaxial residual stress and the relative variation of the velocity of longitudinal ultrasonic waves. The experimental technique is based on laser excitation of nanosecond ultrasonic pulses at the surface of samples under investigation and their detection with a high time resolution. Distributions of the relative variation of longitudinal wave velocities due to the presence of residual stress in the samples are obtained. C1 Moscow MV Lomonosov State Univ, Int Laser Ctr, Moscow 119992, Russia. Russian Acad Sci, Prokhorov Gen Phys Inst, Moscow 119991, Russia. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ivochkin, AY (reprint author), Moscow MV Lomonosov State Univ, Int Laser Ctr, Vorobevy Gory, Moscow 119992, Russia. EM pelivanov@ilc.edu.ru RI Karabutov, Alexander/E-1295-2015 NR 18 TC 5 Z9 6 U1 1 U2 4 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1063-7710 J9 ACOUST PHYS+ JI Acoust. Phys. PD JUL PY 2007 VL 53 IS 4 BP 471 EP 477 DI 10.1134/S1063771007040070 PG 7 WC Acoustics SC Acoustics GA 190GI UT WOS:000248046600007 ER PT J AU Wang, JW Wlodawer, A Dauter, Z AF Wang, Jiawei Wlodawer, Alexander Dauter, Zbigniew TI What happens when the signs of anomalous differences or the handedness of substructure are inverted? SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article AB Proper solution of a macromolecular crystal structure based on anomalous scattering and/or isomorphous differences requires that the anomalous differences in reflection amplitudes be measured properly and that the correct enantiomer of the substructure be selected. If this information is wrong then the resulting electron-density maps will not show the correct structural features, but the reflection phases and map features will be related to the correct ones in a specific way. This text aims to explain how misinterpretation of the Bijvoet differences or of the substructure affects the resulting phases and electron -density maps. C1 Argonne Natl Lab, Natl Canc Inst, MCL, Synchrotron Radiat Res Sect, Argonne, IL 60439 USA. SAIC Federick Inc, Basic Res Program, Argonne Natl Lab, Argonne, IL 60439 USA. NCI, MCL, Prot Struct Sect, Frederick, MD 21702 USA. RP Dauter, Z (reprint author), Argonne Natl Lab, Natl Canc Inst, MCL, Synchrotron Radiat Res Sect, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dauter@anl.gov FU Intramural NIH HHS; NCI NIH HHS [N01-CO-12400] NR 11 TC 5 Z9 5 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD JUL PY 2007 VL 63 BP 751 EP 758 DI 10.1107/S0907444907025620 PN 7 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 189HX UT WOS:000247981100001 PM 17582166 ER PT J AU Gouldstone, A Chollacoop, N Dao, M Li, J Minor, AM Shen, YL AF Gouldstone, Andrew Chollacoop, Nuwong Dao, Ming Li, Ju Minor, Andrew M. Shen, Yu-Lin TI Indentation across size scales and disciplines: Recent developments in experimentation and modeling SO ACTA MATERIALIA LA English DT Review DE microindentation; nanoindentation; transmission electron microscopy (TEM); finite element analysis; simulation ID INSTRUMENTED SHARP INDENTATION; MOLECULAR-DYNAMICS SIMULATION; TRANSMISSION ELECTRON-MICROSCOPY; IN-SITU NANOINDENTATION; STRAIN GRADIENT PLASTICITY; CONTACT-DAMAGE RESISTANCE; DEPTH-SENSING INDENTATION; ENERGY-BALANCE CRITERION; METAL-MATRIX COMPOSITES; GRAIN-BOUNDARY MOTION AB Indentation is a remarkably flexible mechanical test due to its relative experimental simplicity. Coupled with advances in instrument development, ease of implementation has made indentation a ubiquitous research tool for a number of different systems across size scales (nano to macro) and scientific/engineering disciplines. However, the exploration of different materials systems and the potential usage of indentation as a precise and quantitative method beyond the research laboratory have prompted intense modeling and interpretation efforts for robust analysis of experimental results. In this review, we describe progress in a number of different aspects of this method, including continuum-based modeling of homogeneous and heterogeneous systems, microstructural size effects and atomic modeling of nanoindentation experiments, in situ transmission electron microscopy observations of nanoscale contact, and novel and emerging uses for indentation. A recurring theme is the consideration of what is meant by "hardness" in different physical scenarios. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11974 USA. Natl Met & Mat Technol Ctr, Pathum Thani 12120, Thailand. MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. Univ New Mexico, Dept Mech Engn, Albuquerque, NM 87131 USA. RP Gouldstone, A (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Heavy Engn 130, Stony Brook, NY 11974 USA. EM bubbleraft@gmail.com RI Li, Ju/A-2993-2008; Dao, Ming/B-1602-2008; Shen, Yu-Lin/C-1942-2008; Chollacoop, Nuwong/G-3912-2012 OI Li, Ju/0000-0002-7841-8058; NR 296 TC 255 Z9 259 U1 20 U2 159 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 PY 2007 VL 55 IS 12 BP 4015 EP 4039 DI 10.1016/j.actamat.2006.08.044 PG 25 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 189HO UT WOS:000247980200003 ER PT J AU Field, DP Bradford, LT Nowell, MM Lillo, TM AF Field, D. P. Bradford, L. T. Nowell, M. M. Lillo, T. M. TI The role of annealing twins during recrystallization of Cu SO ACTA MATERIALIA LA English DT Article DE copper; recrystallization; EBSD; ECAE; twin boundaries ID COLD-ROLLED COPPER; MICROSTRUCTURAL EVOLUTION; ORIENTED NUCLEATION; FCC METALS; BOUNDARY; POLYCRYSTALS; ALUMINUM; TEXTURE; STRESS; ALLOYS AB The texture and grain boundary structure of recrystallized materials are dependent upon the character of the deformed matrix and the selective nucleation and growth of crystallites from the deformation structure. Annealing twin boundary formation in materials of low to medium stacking fault energy is not only a product of the recrystallized structure, but also plays an important role in the recrystallization process itself. In situ and ex situ recrystallization experiments were performed on pure copper (99.99% pure) previously deformed by equal channel angular extrusion. Intermittent characterization of the structure on the surface of bulk specimens was accomplished using electron backscatter diffraction. The character of the structure where nucleation preferentially occurs is presumed to be in heavily deformed regions as nuclei were first observed in such microstructures as viewed from the specimen surface. Grain growth is observed to be heavily dependent upon twinning processes at the low temperatures used for in situ experiments, with twinning occurring to aid the recrystallization process. It is shown at these temperatures that the slowest growing grains obtain the highest fraction of twin boundaries as the new twin orientations presumably increase the boundary energy at positions where there is insufficient driving force to Continue growth. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Washington State Univ, Pullman, WA 99164 USA. EDAXITSL, Draper, UT 84020 USA. Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Field, DP (reprint author), Washington State Univ, POB 642920, Pullman, WA 99164 USA. EM dfield@wsu.edu RI Field, David/D-5216-2012; Lilllo, Thomas/S-5031-2016 OI Field, David/0000-0001-9415-0795; Lilllo, Thomas/0000-0002-7572-7883 NR 37 TC 97 Z9 100 U1 11 U2 62 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD JUL PY 2007 VL 55 IS 12 BP 4233 EP 4241 DI 10.1016/j.actamat.2007.03.021 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 189HO UT WOS:000247980200017 ER PT J AU Hong, ST Herling, DR AF Hong, Sung-Tae Herling, Darrell R. TI Effects of surface area density of aluminum foams on thermal conductivity of aluminum foam-phase change material composites SO ADVANCED ENGINEERING MATERIALS LA English DT Article ID ENERGY STORAGE; GRAPHITE-MATRIX; HEAT-TRANSFER; ION BATTERY; METAL FOAMS; MANAGEMENT C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hong, ST (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM sungtae.hong@pnl.gov RI Choi, Seungtae/C-6821-2011; Hong, Sung Tae/K-2720-2015 OI Choi, Seungtae/0000-0002-4119-9787; Hong, Sung Tae/0000-0003-2263-7099 NR 19 TC 22 Z9 22 U1 4 U2 26 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1438-1656 EI 1527-2648 J9 ADV ENG MATER JI Adv. Eng. Mater. PD JUL PY 2007 VL 9 IS 7 BP 554 EP 557 DI 10.1002/adem.200700023 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 195AZ UT WOS:000248386200009 ER PT J AU Hering, SV Lunden, MM Thatcher, TL Kirchstetter, TW Brown, NI AF Hering, S. V. Lunden, M. M. Thatcher, T. L. Kirchstetter, T. W. Brown, N. I. TI Using regional data and building leakage to assess indoor concentrations of particles of outdoor origin SO AEROSOL SCIENCE AND TECHNOLOGY LA English DT Article ID SAN-JOAQUIN VALLEY; RESOLVED PARTICULATE DATA; AMMONIUM-NITRATE; AIR-POLLUTION; PENETRATION; DEPOSITION; ENVIRONMENT; TIME; MATTER; SIZE AB Time-resolved fine particle concentrations of nitrate, sulfate, and black carbon were examined to assess the appropriateness of using regional data and calculated air exchange rates to model indoor concentrations of particles from outdoor sources. The data set includes simultaneous, sub-hourly aerosol composition measurements at three locations: a regional monitoring site in Fresno, California, inside of an unoccupied residence in Clovis, California, located 6 km northeast of the regional site, and immediately outside of this same residence. Indoor concentrations of PM2.5 nitrate, sulfate, and black carbon were modeled using varying sets of inputs to determine the influence of three factors on model accuracy: the constraints of the simplified indoor-outdoor model, measured versus modeled air exchange rates, and local versus regional outdoor measurements. Modeled indoor concentrations captured the lag and attenuation in indoor concentrations as well as the differences among chemical constituents in the indoor-outdoor concentration relationships. During periods when the house was closed and unoccupied, use of air exchange rates,calculated from the LBNL infiltration model in place of those directly measured did not contribute significantly to the error in the estimated indoor concentrations. Differences between ambient concentrations at the regional monitoring site and the immediate neighborhood contributed to estimation errors for sulfate and black carbon. Evaporation was the dominant factor affecting indoor nitrate concentrations. Even when limiting the model inputs to concentrations and meteorological parameters measured at the regional monitoring station, the modeled concentrations were more highly correlated with measured indoor concentrations than were the regional measurements themselves. C1 Aerosol Dynam Inc, Berkeley, CA 94710 USA. Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. Calif Polytech State Univ San Luis Obispo, San Luis Obispo, CA 93407 USA. RP Hering, SV (reprint author), Aerosol Dynam Inc, 935 Grayson St, Berkeley, CA 94710 USA. EM susanne@aerosol.us RI Hering, Susanne/B-1906-2012 NR 35 TC 20 Z9 20 U1 4 U2 13 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0278-6826 J9 AEROSOL SCI TECH JI Aerosol Sci. Technol. PD JUL PY 2007 VL 41 IS 7 BP 639 EP 654 DI 10.1080/02786820701368026 PG 16 WC Engineering, Chemical; Engineering, Mechanical; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 185QL UT WOS:000247725400001 ER PT J AU Romero, VJ Chen, CH AF Romero, Vicente J. Chen, Chun-Hung TI Refinements in a new adaptive ordinal approach to continuous-variable probabilistic optimization SO AIAA JOURNAL LA English DT Article; Proceedings Paper CT AIAA 8th Non-Deterministic Approaches Conference CY MAY 01-04, 2006 CL Newport, RI SP AIAA ID SIMULATION AB A very general and robust approach to solving continuous-variable optimization problems involving uncertainty in the objective function is through the use of ordinal optimization. At each step in the optimization problem, improvement is based only on a relative ranking of the uncertainty effects on local design alternatives, rather than on precise quantification of the effects. One simply asks, "Is that alternative better or worse than this one?"not "How much better or worse is that alternative to this one?" The answer to the latter question requires precise characterization of the uncertainty, with the corresponding sampling/integration expense for precise resolution. However, in this paper, we demonstrate correct decision-making in a continuous-variable probabilistic optimization problem despite extreme vagueness in the statistical characterization of the design options. We present a new adaptive ordinal method for probabilistic optimization in which the tradeoff between computational expense and vagueness in the uncertainty characterization can be conveniently managed in various phases of the optimization problem to make cost-effective stepping decisions in the design space. Spatial correlation of uncertainty in the continuous-variable design space is exploited to dramatically increase method efficiency. Under many circumstances, the method appears to have favorable robustness and cost-scaling properties relative to other probabilistic optimization methods, and it uniquely has mechanisms for quantifying and controlling error likelihood in design-space stepping decisions. The method is asymptotically convergent to the true probabilistic optimum, and so could be useful as a reference standard against which the efficiency and robustness of other methods can be compared, analogous to the role that Monte Carlo simulation plays in uncertainty propagation. C1 Sandia Natl Labs, Model Validat & Uncertainty Qu, Albuquerque, NM 87185 USA. George Mason Univ, Dept Syst Engn & Operat Res, Fairfax, VA 22030 USA. RP Romero, VJ (reprint author), Sandia Natl Labs, Model Validat & Uncertainty Qu, POB 5800, Albuquerque, NM 87185 USA. EM vjromer@sandia.gov NR 24 TC 0 Z9 0 U1 0 U2 4 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 J9 AIAA J JI AIAA J. PD JUL PY 2007 VL 45 IS 7 BP 1630 EP 1641 DI 10.2514/1.24892 PG 12 WC Engineering, Aerospace SC Engineering GA 190QW UT WOS:000248075000019 ER PT J AU Perkins, C Lichty, P Weimer, AW Bingham, C AF Perkins, Christopher Lichty, Paul Weimer, Alan W. Bingham, Carl TI Fluid-wall effectiveness for preventing oxidation in solar-thermal ZnO reactors SO AICHE JOURNAL LA English DT Article DE energy; mathematical modeling; fluid mechanics; solar; fluid-wall ID AEROSOL FLOW REACTOR; DISSOCIATION; HYDROGEN; CYCLE AB Computational fluid dynamics simulations of a "fluid-wall" solar reactor for the dissociation of ZnO were performed to determine the effectiveness of the fluid-wall strategy at preventing oxygen from reacting with the reactor wall. An axial boundary layer near the porous wall was found to exist where ZnO concentrations were essentially zero, demonstrating that the concept was effective at preventing particle contact with the reactor wall. ZnO particles were found to heat nearly instantaneously (> 10(5) K/s), and ZnO conversions were found to be significant (> 50%) in the short residence times employed. Conditions for high levels of oxidation of the tube wall coincided with those for high levels of ZnO conversion, and oxidation levels were high (> 50%). This was confirmed in solar experiments, where all oxygen products reacted with the tube wall. Although an effective concept for keeping particles from contacting the wall, the fluid-wall strategy was not effective for preventing oxidation. (c) 2007 American Institute of Chemical Engineers. C1 Univ Colorado, Dept Biol & Chem Engn, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Concentrating Solar Power Grp, Golden, CO 80401 USA. RP Perkins, C (reprint author), Univ Colorado, Dept Biol & Chem Engn, Boulder, CO 80309 USA. EM christopher.perkins@colorado.edu NR 22 TC 2 Z9 2 U1 0 U2 4 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0001-1541 J9 AICHE J JI AICHE J. PD JUL PY 2007 VL 53 IS 7 BP 1830 EP 1844 DI 10.1002/aic.11203 PG 15 WC Engineering, Chemical SC Engineering GA 185LT UT WOS:000247713200018 ER PT J AU Martin, CD Chapman, KW Chupas, PJ Prakapenka, V Lee, PL Shastri, SD Parise, JB AF Martin, C. David Chapman, Karena W. Chupas, Peter J. Prakapenka, Vitali Lee, Peter L. Shastri, Sarvjit D. Parise, John B. TI Compression, thermal expansion, structure, and instability of CaIrO3, the structure model of MgSiO3 post-perovskite SO AMERICAN MINERALOGIST LA English DT Article DE post-perovskite; CaIrO3; pressure; temperature; structure; X-rays; Rietveld refinement; D" layer ID EARTHS LOWERMOST MANTLE; X-RAY-DIFFRACTION; HIGH-PRESSURE; PHASE-TRANSITION; D''-LAYER; STATE; BOUNDARY; TEMPERATURES; ANISOTROPY; EQUATION AB Analysis of pressure-temperature dependent monochromatic X-ray powder diffraction data yield the bulk modulus [K-T = 180.2(28) GPa] and thermal expansion coefficients [alpha(0) 2.84](34) x 10(-5) K-1; alpha(1) = 3.37(48) x 10(-9) K-2] of CaIrO3, the structure model for post-perovskite MgSiO3 center dot CaIrO3 is orthorhombic (Cmcm, space group 63, Z = 4) with best-fit unit-cell parameters, a = 3.14147(5) angstrom, b = 9.87515(19), c = 7.29711(11), and V = 226.3754(78) angstrom(3) at 1 bar and 300 K. The c-axis of CaIrO3 has a small compressibility and a large thermal expansion when compared to the other principal axes. Rietveld structure refinement reveals changes in CaIrO, as a function of temperature in terms of IrO6 octahedra distortion. Dissociation of CaIrO3, at high temperature has possible implications for the post-perovskite MgSiO3 structure, Earth's lower mantle, and D '' layer. C1 SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. Argonne Natl Lab, GSECARS, Argonne, IL 60439 USA. SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Martin, CD (reprint author), SUNY Stony Brook, Dept Geosci, 255 Earth & Space Sci Bldg, Stony Brook, NY 11794 USA. EM chmartin@ic.sunysb.edu RI Chapman, Karena/G-5424-2012 NR 51 TC 26 Z9 26 U1 2 U2 13 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X EI 1945-3027 J9 AM MINERAL JI Am. Miner. PD JUL PY 2007 VL 92 IS 7 BP 1048 EP 1053 DI 10.2138/am.2007.2473 PG 6 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 188AM UT WOS:000247890700008 ER PT J AU Mair, DA Rolandi, M Snauko, M Noroski, R Svec, F Frechet, JMJ AF Mair, Dieudonne A. Rolandi, Marco Snauko, Marian Noroski, Richard Svec, Frantisek Frechet, Jean M. J. TI Room-temperature bonding for plastic high-pressure microfluidic chips SO ANALYTICAL CHEMISTRY LA English DT Article ID CAPILLARY-ELECTROPHORESIS MICROCHIPS; ULTRAVIOLET-RADIATION; INDUCED DEGRADATION; MASS-SPECTROMETRY; GENETIC-ANALYSIS; DNA FRAGMENTS; DEVICES; FABRICATION; POLYMERS; SYSTEMS AB A generic method for the rapid, reproducible, and robust bonding of microfluidic chips fabricated from plastics has been developed and optimized. One of the bonding surfaces is exposed to solvent vapor prior to bringing the mating parts into contact and applying a load. Nanoindentation measurements performed by atomic force microscopy show that a reversible material softening occurs upon exposure to solvent vapor. Subsequent exposure of the bonded chip to UV light then strengthens the bond between mating parts and increases the burst pressure by 50% due to partial cross-linking and chain scission reactions as measured by size exclusion chromatography-multiangle light scattering (SEC-MALS). Performing all steps of this procedure at room temperature eliminates channel distortion observed during thermal bonding and affords channels with highly uniform cross-sectional dimensions. Our technique enables chips resistant to pressures as high as 34.6 MPa. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Svec, F (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM fsvec@lbl.gov; frechet@berkeley.edu OI Frechet, Jean /0000-0001-6419-0163 FU NIBIB NIH HHS [EB-006133] NR 61 TC 50 Z9 52 U1 2 U2 30 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 2007 VL 79 IS 13 BP 5097 EP 5102 DI 10.1021/ac070220w PG 6 WC Chemistry, Analytical SC Chemistry GA 183ZT UT WOS:000247611600044 PM 17530818 ER PT J AU Creutz, M AF Creutz, Michael TI One flavor QCD SO ANNALS OF PHYSICS LA English DT Article DE quantum chromodynamics; chiral symmetry; lattice gauge theory ID CHIRAL SYMMETRY-BREAKING; MASS ANOMALOUS DIMENSION; ABELIAN GAUGE THEORIES; DIRAC OPERATOR; SCHWINGER MODEL; FIELD THEORY; LATTICE QCD; QUARK MASS; TOPOLOGY; SPECTRUM AB One flavor QCD is a rather intriguing variation on the underlying theory of hadrons. In this case quantum anomalies remove all chiral symmetries. This paper discusses the qualitative behavior of this theory as a function of its basic parameters, exploring the non-trivial phase structure expected as these parameters are varied. Comments are made on the expected changes to this structure if the gauge group is made larger and the fermions are put into higher representations. (C) 2007 Elsevier Inc. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Creutz, M (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM creutz@bnl.gov NR 54 TC 7 Z9 7 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 0003-4916 J9 ANN PHYS-NEW YORK JI Ann. Phys. PD JUL PY 2007 VL 322 IS 7 BP 1518 EP 1540 DI 10.1016/j.aop.2007.01.002 PG 23 WC Physics, Multidisciplinary SC Physics GA 192JI UT WOS:000248197100003 ER PT J AU Bern, Z Dixon, LJ Kosower, DA AF Bern, Zvi Dixon, Lance J. Kosower, David A. TI On-shell methods in perturbative QCD SO ANNALS OF PHYSICS LA English DT Review DE perturbative quantum chromodynamics; one-loop scattering amplitudes; large hadron collider ID TO-LEADING ORDER; ONE-LOOP AMPLITUDES; JET CROSS-SECTIONS; GAUGE-THEORY AMPLITUDES; MULTI-GLUON SCATTERING; HIGGS-BOSON PRODUCTION; SUPER-YANG-MILLS; FEYNMAN DIAGRAMS; HADRON COLLIDERS; NLO-QCD AB We review on-shell methods for computing multi-parton scattering amplitudes in perturbative QCD, utilizing their unitarity and factorization properties. We focus on aspects which are useful for the construction of one-loop amplitudes needed for phenomenological studies at the Large Hadron Collider. (C) 2007 Elsevier Inc. All rights reserved. C1 Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. RP Dixon, LJ (reprint author), Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. EM lance@slac.stanford.edu NR 182 TC 166 Z9 166 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 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD JUL PY 2007 VL 322 IS 7 BP 1587 EP 1634 DI 10.1016/j.aop.2007.04.014 PG 48 WC Physics, Multidisciplinary SC Physics GA 192JI UT WOS:000248197100006 ER PT J AU Moran, MA Belas, R Schell, MA Gonzalez, JM Sun, F Sun, S Binder, BJ Edmonds, J Ye, W Orcutt, B Howard, EC Meile, C Palefsky, W Goesmann, A Ren, Q Paulsen, I Ulrich, LE Thompson, LS Saunders, E Buchan, A AF Moran, M. A. Belas, R. Schell, M. A. Gonzalez, J. M. Sun, F. Sun, S. Binder, B. J. Edmonds, J. Ye, W. Orcutt, B. Howard, E. C. Meile, C. Palefsky, W. Goesmann, A. Ren, Q. Paulsen, I. Ulrich, L. E. Thompson, L. S. Saunders, E. Buchan, A. TI Ecological genomics of marine roseobacters SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID MICROBIAL COMMUNITIES; PHYTOPLANKTON BLOOM; SIGNAL-TRANSDUCTION; COASTAL SEAWATER; NORTH-ATLANTIC; BACTERIA; SEQUENCE; LINEAGE; IDENTIFICATION; GENES AB Bacterioplankton of the marine Roseobacter clade have genomes that reflect a dynamic environment and diverse interactions with marine plankton. Comparative genome sequence analysis of three cultured representatives suggests that cellular requirements for nitrogen are largely provided by regenerated ammonium and organic compounds (polyamines, allophanate, and urea), while typical sources of carbon include amino acids, glyoxylate, and aromatic metabolites. An unexpectedly large number of genes are predicted to encode proteins involved in the production, degradation, and efflux of toxins and metabolites. A mechanism likely involved in cell-to-cell DNA or protein transfer was also discovered: vir-related genes encoding a type IV secretion system typical of bacterial pathogens. These suggest a potential for interacting with neighboring cells and impacting the routing of organic matter into the microbial loop. Genes shared among the three roseobacters and also common in nine draft Roseobacter genomes include those for carbon monoxide oxidation, dimethylsulfonio-propionate demethylation, and aromatic compound degradation. Genes shared with other cultured marine bacteria include those for utilizing sodium gradients, transport and metabolism of sulfate, and osmoregulation. C1 Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. Univ Maryland, Inst Biotechnol, Ctr Marine Biotechnol, Baltimore, MD 21202 USA. Univ Georgia, Dept Microbiol, Athens, GA 30602 USA. Univ La Laguna, Dept Microbiol, San Cristobal la Laguna 38071, Spain. Univ Georgia, Inst Ecol, Athens, GA 30602 USA. Univ Bielefeld, Ctr Biotechnol, D-33594 Bielefeld, Germany. Inst Genom Res, Rockville, MD 20850 USA. Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. Los Alamos Natl Lab, DOE Joint Genome Inst, Biosci Div, Los Alamos, NM 87545 USA. Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. RP Moran, MA (reprint author), Univ Georgia, Dept Marine Sci, Athens, GA 30602 USA. EM mmoran@uga.edu RI Orcutt, Beth/A-4051-2011; Buchan, Alison/A-9401-2010; Moran, Mary Ann/B-6939-2012; Paulsen, Ian/K-3832-2012; Gonzalez, Jose/C-3333-2013 OI Meile, Christof/0000-0002-0825-4596; Paulsen, Ian/0000-0001-9015-9418; Gonzalez, Jose/0000-0002-9926-3323 NR 57 TC 171 Z9 174 U1 2 U2 41 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 2007 VL 73 IS 14 BP 4559 EP 4569 DI 10.1128/AEM.02580-06 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 192JL UT WOS:000248197400021 PM 17526795 ER PT J AU Turhollow, AF Sokhansanj, S AF Turhollow, A. F. Sokhansanj, S. TI Costs of harvesting, storing in a large pile, and transporting corn stover in a wet form SO APPLIED ENGINEERING IN AGRICULTURE LA English DT Article DE economics; storage; corn stover; harvest; transport; wet biomass ID PIPELINE TRANSPORT; BIOMASS AB Corn stover is potentially an attractive biomass resource, but must be stored if used to supply a biorefinery year-round. Based on experience with successfully storing water-saturated large piles of bagasse for the pulping industry, Atchison and Hettenhaus (2003) proposed that such a system can also be applied to corn stover Regardless of the technical feasibility of this system, in this article we estimate the cost of harvesting corn stover in a single pass with corn grain, delivering the chopped biomass to a storage pile, storing the stover in a wet form in a large pile at 75% moisture in a 211,700-dry Mg facility within a radius of 24 km from the field, and transporting the stover 64 km to a biorefinery. Field-ground corn stover can be delivered to a biorefinery by rail for $55 to $61/dry Mg. Truck transport is more expensive, $71 to$77/dry Mg. To achieve a minimum cost in the system proposed by Atchison and Hettenhaus, it is necessary to field densify stover to 74 dry kg/m(3), without losing combine field efficiency, have a large storage pile to spread fixed costs of storage over enough biomass, and use rail transportation. Compared to storage in an on farm bunker silo at $60/dry Mg, there are limited circumstances in which large pile storage has a cost advantage. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Turhollow, AF (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1511 E 2050 N, N Logan, UT 84341 USA. EM turhollowaf@ornl.gov NR 27 TC 4 Z9 5 U1 0 U2 10 PU AMER SOC AGRICULTURAL & BIOLOGICAL ENGINEERS PI ST JOSEPH PA 2950 NILES RD, ST JOSEPH, MI 49085-9659 USA SN 0883-8542 J9 APPL ENG AGRIC JI Appl. Eng. Agric. PD JUL PY 2007 VL 23 IS 4 BP 439 EP 448 PG 10 WC Agricultural Engineering SC Agriculture GA 202UE UT WOS:000248928500006 ER PT J AU Bongolan-Walsh, VP Duan, JQ Fischer, P Ozgokmen, T Iliescu, T AF Bongolan-Walsh, Vena Pearl Duan, Jinqiao Fischer, Paul Ozgokmen, Tamay Iliescu, Tralan TI Impact of boundary conditions on entrainment and transport in gravity currents SO APPLIED MATHEMATICAL MODELLING LA English DT Article DE gravity currents; entrainment; transport; boundary conditions; Boussinesq approximation; energy equation ID DIRECT NUMERICAL-SIMULATION; NAVIER-STOKES EQUATIONS; SPECTRAL ELEMENT MODEL; DENSITY CURRENTS; BOTTOM; OCEAN; SLIP; DYNAMICS; OUTFLOW; SLOPE AB Gravity currents have been studied numerically and experimentally both in the laboratory and in the ocean. The question of appropriate boundary conditions is still challenging for most complex flows. Gravity currents make no exception-appropriate, physically and mathematically sound boundary conditions are yet to be found. This task is further complicated by the technical limitations imposed by the current oceanographic techniques. In this paper, we make a first step toward a better understanding of the impact of boundary conditions on gravity currents. Specifically, we use direct numerical simulations to investigate the effect that the popular Neumann, and less popular Dirichlet boundary conditions on the bottom continental shelf have on the entrainment and transport of gravity currents. The finding is that gravity currents under these two different boundary conditions differ most in the way they transport heat from the top towards the bottom. This major difference occurs at medium temperature ranges. Entrainment and transport at high temperatures also show significant differences. Published by Elsevier Inc. C1 IIT, Dept Math Appl, Chicago, IL 60616 USA. Argonne Natl Lab, Darien, IL USA. Univ Miami, RSMAS MPO, Miami, FL 33152 USA. Virginia Polytech Inst & State Univ, Dept Math, Blacksburg, VA 24061 USA. RP Bongolan-Walsh, VP (reprint author), IIT, Dept Math Appl, Chicago, IL 60616 USA. EM bongven@iit.edu NR 32 TC 4 Z9 4 U1 1 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0307-904X J9 APPL MATH MODEL JI Appl. Math. Model. PD JUL PY 2007 VL 31 IS 7 BP 1338 EP 1350 DI 10.1016/j.apm.2006.03.033 PG 13 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 158AG UT WOS:000245762500009 ER PT J AU Lee, JH Hwang, ET Kim, BC Lee, SM Sang, BI Choi, YS Kim, J Gu, MB AF Lee, Jin Hyung Hwang, Ee Taek Kim, Byoung Chan Lee, Sun-Mi Sang, Byoung-In Choi, Yong Su Kim, Jungbae Gu, Man Bock TI Stable and continuous long-term enzymatic reaction using an enzyme-nanofiber composite SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE continuous reactor; nanofiber; esterase; enzyme stabilization; enzyme immobilization; enzyme reactor ID ULTRAFILTRATION MEMBRANE REACTOR; IMPROVED STABILITY; MESOPOROUS SILICA; CROSS-LINKING; NANOPARTICLES; IMMOBILIZATION; PERFORMANCE; HYDROLYSIS; CRYSTALS; SYSTEM AB This study shows the preparation and application of enzyme-nanofiber composites for long-term stable operation. The enzyme-nanofiber composite was prepared by coating an enzyme aggregate, the esterase from Rhizopus oryzae, on the surface of the nanofibers. After immobilization on the nanofiber, the apparent K (m) for the immobilized esterase was 1.48-fold higher than that of the free esterase, with values of 0.98 and 1.35 mM for the free and immobilized enzymes, respectively. It was found that enzyme-nanofiber was very stable, even when the fibers were shaken in glass vials, preserving 80% of the initial activity for 100 days. In addition, the enzyme-nanofiber composite was used repeatedly in 30 cycles of substrate hydrolysis and still remained active. Consequently, the esterase-nanofiber composite was employed within a continuous reactor system to evaluate its use in a long-term and stable continuous substrate hydrolysis reaction. It was found that the production of p-nitrophenol was stable for at least 400 h. This study demonstrates that the enzyme-nanofiber composite can be used in both repeated-batch mode and a continuous mode for a long-term stable operation. C1 Korea Univ, Coll Life Sci & Biotechnol, Seoul 136701, South Korea. Gwangju Inst Sci & Technol, Adv Environm Monitoring Res Ctr, Kwangju, South Korea. Korea Inst Sci & Technol, Hazardous Subst Res Ctr, Seoul 130650, South Korea. Korea Inst Sci & Technol, Water Environm & Remediat Res Ctr, Seoul 130650, South Korea. Pacific NW Natl Lab, Richland, WA 99352 USA. Inst Pasteur Korea, Diagnost Grp, Seoul, South Korea. RP Gu, MB (reprint author), Korea Univ, Coll Life Sci & Biotechnol, Seoul 136701, South Korea. EM mbgu@korea.ac.kr RI Kim, Byoung Chan/A-2885-2009; Kim, Sang Hoon/H-9911-2015 NR 26 TC 24 Z9 24 U1 1 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 EI 1432-0614 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD JUL PY 2007 VL 75 IS 6 BP 1301 EP 1307 DI 10.1007/s00253-007-0955-3 PG 7 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 181VB UT WOS:000247463100010 PM 17404727 ER PT J AU Chen, XL Settersten, TB AF Chen, Xiangling Settersten, Thomas B. TI Investigation of OH X (2)Pi collisional kinetics in a flame using picosecond two-color resonant four-wave-mixing spectroscopy SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Topical Meeting of the Optical-Society-of America on Computational Sensing and Imaging CY JUN, 2007 CL Vancouver, CANADA SP Opt Soc Amer ID ROTATIONAL ENERGY-TRANSFER; LASER-INDUCED FLUORESCENCE; ATMOSPHERIC-PRESSURE FLAMES; ORIENTATIONAL RELAXATION-TIMES; SHORT-PULSE LASERS; POLARIZATION SPECTROSCOPY; THEORETICAL-ANALYSIS; CROSS-SECTIONS; ALIGNMENT; POPULATION AB Time-resolved two-color resonant four-wave-mixing spectroscopy was used to investigate collisions affecting the ground electronic state of the hydroxyl radical. Picosecond laser pulses provided adequate time resolution for measurements in an atmospheric-pressure methane-air flame. The grating spectroscopy technique used a combination of double resonance, time-delayed probing, and independent control of the polarization of each of the four fields involved in the wave-mixing process to enable measurement of the decay of laser-induced population, alignment, and orientation, as well as state-to-state transfer of these three moments. Results are presented for individual rotational levels of OH in X-2 Pi(3/2)(upsilon = 1). (C) 2007 Optical Society of America. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Settersten, TB (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM tbsette@sandia.gov RI Settersten, Thomas/B-3480-2009 OI Settersten, Thomas/0000-0002-8017-0258 NR 52 TC 12 Z9 12 U1 2 U2 11 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 1 PY 2007 VL 46 IS 19 BP 3911 EP 3920 DI 10.1364/AO.46.003911 PG 10 WC Optics SC Optics GA 182OA UT WOS:000247512700002 PM 17571127 ER PT J AU Kulatilaka, WD Lucht, RP Roy, S Gord, JR Settersten, TB AF Kulatilaka, Waruna D. Lucht, Robert P. Roy, Sukesh Gord, James R. Settersten, Thomas B. TI Detection of atomic hydrogen inflames using picosecond two-color two-photon-resonant six-wave-mixing spectroscopy SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Topical Meeting of the Optical-Society-of America on Computational Sensing and Imaging CY JUN, 2007 CL Vancouver, CANADA SP Opt Soc Amer ID 2-PHOTON POLARIZATION SPECTROSCOPY; LASER-INDUCED FLUORESCENCE; L-ALPHA LINE; ENERGY-TRANSFER; FLAT FLAMES; EXCITATION; PROFILE; PLASMA AB We report an investigation of two-color six-wave-mixing spectroscopy techniques using picosecond lasers for the detection of atomic hydrogen in an atmospheric-pressure hydrogen-air flame. An ultraviolet laser at 243 nm was two-photon-resonant with the 2S(1/2) <-<- 1S(1/2) transition, and a visible probe laser at 656 nm was resonant with H, transitions (n = 3 <- n = 2). The signal dependence on the polarization of the pump laser was investigated for a two-beam polarization-spectroscopy experimental configuration and for a four-beam grating configuration. A direct comparison of the absolute signal and background levels in the two experimental geometries demonstrated a significant advantage to using the four-beam grating geometry over the simpler two-beam configuration. Picosecond laser pulses provided sufficient time resolution to investigate hydrogen collisions in the atmospheric-pressure flame. Time-resolved two-color laser-induced fluorescence was used to measure an n = 2 population lifetime of 110 ps, and time-resolved two-color six-wave-mixing spectroscopy was used to measure a coherence lifetime of 76 ps. Based on the collisional time scale, we expect that the six-wave-mixing signal dependence on collisions is significantly reduced with picosecond laser pulses when compared to laser pulse durations on the nanosecond time scale. (C) 2007 Optical Society of America. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. Innovat Sci Solut Inc, Dayton, OH 45440 USA. USAF, Res Lab, Propuls Directorate, Wright Patterson AFB, OH 45433 USA. RP Settersten, TB (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM tbsette@sandia.gov RI Settersten, Thomas/B-3480-2009 OI Settersten, Thomas/0000-0002-8017-0258 NR 25 TC 9 Z9 9 U1 1 U2 8 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 1 PY 2007 VL 46 IS 19 BP 3921 EP 3927 DI 10.1364/AO.46.003921 PG 7 WC Optics SC Optics GA 182OA UT WOS:000247512700003 PM 17571128 ER PT J AU Petersson, P Olofsson, J Brackman, C Seyfried, H Zetterberg, J Richter, M Alden, M Linne, MA Cheng, RK Nauert, A Geyer, D Dreizler, A AF Petersson, Per Olofsson, Jimmy Brackman, Christian Seyfried, Hans Zetterberg, Johan Richter, Mattias Alden, Marcus Linne, Mark A. Cheng, Robert K. Nauert, Andreas Geyer, Dirk Dreizler, Andreas TI Simultaneous PIV/PH-PLIF, Rayleigh thermometry/OH-PLIF and stereo PIV measurements in a low-swirl-flame SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Topical Meeting of the Optical-Society-of America on Computational Sensing and Imaging CY JUN, 2007 CL Vancouver, CANADA SP Opt Soc Amer ID LARGE-EDDY SIMULATION; INTENSE ISOTROPIC TURBULENCE; PREMIXED FLAMES; COMBUSTION; VELOCITY; VELOCIMETRY; BOILERS; RATES; FLUX AB The diagnostic techniques for simultaneous velocity and relative OH distribution, simultaneous temperature and relative OH distribution, and three component velocity mapping are described. The data extracted from the measurements include statistical moments for inflow fluid dynamics, temperature, conditional velocities, and scalar flux. The work is a first step in the development of a detailed large eddy simulation (LES) validation database for a turbulent, premixed flame. The low-swirl burner used in this investigation has many of the necessary attributes for LES model validation, including a simplified interior geometry; it operates well into the thin reaction zone for turbulent premixed flames, and flame stabilization is based entirely on the flow field and not on hardware or pilot flames. (C) 2007 Optical Society of America. C1 Lund Univ, Dept Combust Phys, SE-22100 Lund, Sweden. Sandia Natl Labs, Livermore, CA 94551 USA. Ernest Orlando Lawrence Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. Tech Univ Darmstadt, D-64287 Darmstadt, Germany. RP Petersson, P (reprint author), Lund Univ, Dept Combust Phys, SE-22100 Lund, Sweden. EM per.petersson@forbrf.lth.se RI Zetterberg, Johan/C-6963-2008 OI Zetterberg, Johan/0000-0002-0882-1482 NR 34 TC 50 Z9 51 U1 4 U2 27 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 1 PY 2007 VL 46 IS 19 BP 3928 EP 3936 DI 10.1364/AO.46.003928 PG 9 WC Optics SC Optics GA 182OA UT WOS:000247512700004 PM 17571129 ER PT J AU Hoops, AA Reichardt, TA Kliner, DAV Koplow, JP Moore, SW AF Hoops, Alexandra A. Reichardt, Thomas A. Kliner, Dahv. A. V. Koplow, Jeffrey P. Moore, Sean W. TI Detection of mercuric chloride by photofragment emission using a frequency-converted fiber amplifier SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Topical Meeting of the Optical-Society-of America on Computational Sensing and Imaging CY JUN, 2007 CL Vancouver, CANADA SP Opt Soc Amer ID GAS-PHASE; EXCITATION; IMPACT; HGBR2; ATOMS; HGCL2 AB A real-time, noninvasive approach for detecting trace amounts of vapor-phase mercuric chloride (HgCl2) in combustion flue gas is demonstrated using a near-infrared pulsed fiber amplifier that is frequency converted to the ultraviolet. Excitation of the HgCl2 (1(1)Pi(u) <- 1(1)Sigma g(+)) transition at 213 nm generates 253.7 nm emission from the Hg (6(3)P(1)) photoproduct that is proportional to the concentration of HgC1(2). A measured quadratic dependence of the HgCl2 photofragment emission (PFE) signal on the laser irradiance indicates that the photodissociation process involves two-photon excitation. Additionally, low concentrations of HgCl2 are detected with the PFE approach in an environment characteristic of coal-fired power-plant flue gas using this compact solid-state laser source. A detection limit of 0.7 ppb is extrapolated from these results. (C) 2007 Optical Society of America. C1 Sandia Natl Labs, Livermore, CA 94551 USA. RP Hoops, AA (reprint author), Sandia Natl Labs, POB 969,MS 9056, Livermore, CA 94551 USA. EM aahoops@sandia.gov NR 19 TC 4 Z9 4 U1 0 U2 7 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 1 PY 2007 VL 46 IS 19 BP 4008 EP 4014 DI 10.1364/AO.46.004008 PG 7 WC Optics SC Optics GA 182OA UT WOS:000247512700014 PM 17571139 ER PT J AU Nemes, L Keszler, AM Parigger, CG Hornkohl, JO Michelsen, HA Stakhursky, V AF Nemes, Laszlo Keszler, Anna M. Parigger, Christian G. Hornkohl, James O. Michelsen, Hope A. Stakhursky, Vadim TI Spontaneous emission from the C-3 radical in carbon plasma SO APPLIED OPTICS LA English DT Article; Proceedings Paper CT Topical Meeting of the Optical-Society-of America on Computational Sensing and Imaging CY JUN, 2007 CL Vancouver, CANADA SP Opt Soc Amer ID LASER-INDUCED FLUORESCENCE; POLYCYCLIC AROMATIC-HYDROCARBONS; OPTICAL-EMISSION; TEMPERATURE-MEASUREMENTS; ELEVATED-TEMPERATURES; CLUSTER SOURCE; C3 MOLECULE; DC-ARCJET; SPECTROSCOPY; ABLATION AB Spontaneous emission measurements are discussed for the Swings transitions of the C-3 radical in laser-generated graphite plasma, and the spectroscopy of the C-3 radical in carbon vapor and plasma is summarized. A review is given of some theoretical calculations and emission spectroscopic investigations are presented. Time-averaged, laser-induced optical breakdown spectra are reported from Nd:YAG laser generated graphite microplasma. In 200-300 Torr of argon and helium, and depending on the specific experimental configuration, a weak emission continuum is observed centered at 400 nm when using a laser fluence of typically 1 J/cm(2). Such continua were not detected in our previous experiments using focused laser radiation. The possibilities for the origin of this continuum are considered. 0 2007 Optical Society of America. C1 Univ Tennessee, Inst Space, Tullahoma, TN 37388 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. Ohio State Univ, Laser Spect Facil, Dept Chem, Columbus, OH 43210 USA. Hungarian Acad Sci, Lab Laser Spect, Chem Res Ctr, H-1025 Budapest, Hungary. RP Parigger, CG (reprint author), Univ Tennessee, Inst Space, 411 BH Goethert Pkwy, Tullahoma, TN 37388 USA. EM cparigge@tennessee.edu RI Parigger, Christian/M-4925-2013 OI Parigger, Christian/0000-0003-1286-7405 NR 55 TC 19 Z9 20 U1 1 U2 20 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD JUL 1 PY 2007 VL 46 IS 19 BP 4032 EP 4040 DI 10.1364/AO.46.004032 PG 9 WC Optics SC Optics GA 182OA UT WOS:000247512700018 PM 17571143 ER PT J AU Chambers, SA Schwartz, DA Liu, WK Kittilstved, KR Gamelin, DR AF Chambers, S. A. Schwartz, D. A. Liu, W. K. Kittilstved, K. R. Gamelin, D. R. TI Growth, electronic and magnetic properties of doped ZnO epitaxial and nanocrystalline films SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID THIN-FILMS; TEMPERATURE; FERROMAGNETISM; SEMICONDUCTOR; OXIDE AB We have used oxygen plasma assisted metal organic chemical vapor deposition along with wet chemical synthesis and spin coating to prepare CoxZn1-xO and MnxZn1-xO epitaxial and nanoparticle films. Co(II) and Mn(II) substitute for Zn(II) in the wurtzite lattice in materials synthesized by both methods. Room-temperature ferromagnetism in epitaxial Co: ZnO films can be reversibly activated by diffusing in Zn, which occupies interstitial sites and makes the material n-type. O-capped Co: ZnO nanoparticles, which are paramagnetic as grown, become ferromagnetic upon being spin coated in air at elevated temperature. Likewise, spin-coated N-capped Mn: ZnO nanoparticle films also exhibit room-temperature ferromagnetism. However, the inverse systems, N-capped Co: ZnO and O-capped Mn: ZnO, are entirely paramagnetic when spin coated into films in the same way. Analysis of optical absorption spectra reveals that the resonances Co( I) <-> Co( II)+ e(CB)(-) and Mn(III) <-> Mn(II)+ h(VB)(+) are energetically favorable, consistent with strong hybridization of Co ( Mn) with the conduction ( valence) band of ZnO. In contrast, the resonances Mn(I) <-> Mn( II)+ e(CB)(-) and Co(III) <-> Co( II)+ h(VB)(+) are not energetically favorable. These results strongly suggest that the observed ferromagnetism in Co: ZnO ( Mn: ZnO) is mediated by electrons ( holes). C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. Univ Washington, Dept Chem, Seattle, WA 98195 USA. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, POB 999,MS K8-80, Richland, WA 99352 USA. EM sa.chambers@pln.gov RI Kittilstved, Kevin/B-8204-2009 NR 25 TC 11 Z9 12 U1 1 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD JUL PY 2007 VL 88 IS 1 BP 1 EP 5 DI 10.1007/s00339-007-3948-2 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 168YZ UT WOS:000246561200001 ER PT J AU Guenard, RD Wehlburg, CM Pell, RJ Haaland, DM AF Guenard, Robert D. Wehlburg, Christine M. Pell, Randy J. Haaland, David M. TI Importance of prediction Outlier diagnostics in determining a successful inter-vendor multivariate calibration model transfer SO APPLIED SPECTROSCOPY LA English DT Article DE calibration transfer; piecewise direct standardization; PDS; prediction augmented classical least squares/partial least squares; PACLS/PLS; hybrid calibration method ID NEAR-INFRARED SPECTRA; INSTRUMENT STANDARDIZATION; HYBRID ALGORITHM; QUANTITATIVE CALIBRATIONS; IMPROVEMENT; SPECTROMETERS; ROBUST AB This paper reports on the transfer of calibration models between Fourier transform near-infrared (FT-NIR) instruments from four different manufacturers. The piecewise direct standardization (PDS) method is compared with the new hybrid calibration method known as prediction augmented classical least squares/partial least squares (PACLS/PLS). The success of a calibration transfer experiment is judged by prediction error and by the number of samples that are flagged as outliers that would not have been flagged as such if a complete recalibration were performed. Prediction results must be acceptable and the outlier diagnostics capabilities must be preserved for the transfer to be deemed successful. Previous studies have measured the success of a calibration transfer method by comparing only the prediction performance (e.g., the root mean square error of prediction, RMSEP). However, our study emphasizes the need to consider outlier detection performance as well. As our study illustrates, the RMSEP values for a calibration transfer can be within acceptable range; however, statistical analysis of the spectral residuals can show that differences in outlier performance can vary significantly between competing transfer methods. There was no statistically significant difference in the prediction error between the PDS and PACLS/PLS methods when the same subset sample selection method was used for both methods. However, the PACLS/PLS method was better at preserving the outlier detection capabilities and therefore was judged to have performed better than the PDS algorithm when transferring calibrations with the use of a subset of samples to define the transfer function. The method of sample subset selection was found to make a significant difference in the calibration transfer results using the PDS algorithm, while the transfer results were less sensitive to subset selection when the PACLS/PLS method was used. C1 Mitre Corp, Mclean, VA 22102 USA. Merck & Com Inc, Merck Mfg Div, Proc Analyt Technol, West Point, PA 19486 USA. Dow Chem Co USA, Analyt Sci Lab, Midland, MI 48667 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Wehlburg, CM (reprint author), Mitre Corp, 7525 Colshire Dr, Mclean, VA 22102 USA. EM cwehlburg@mitre.org NR 28 TC 4 Z9 4 U1 2 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 2007 VL 61 IS 7 BP 747 EP 754 DI 10.1366/000370207781393280 PG 8 WC Instruments & Instrumentation; Spectroscopy SC Instruments & Instrumentation; Spectroscopy GA 189HD UT WOS:000247979100011 PM 17697469 ER PT J AU Roth, K Westphalen, D Brodrick, J AF Roth, Kurt Westphalen, Detlef Brodrick, James TI PCM technology for building materials SO ASHRAE JOURNAL LA English DT Editorial Material C1 TIAX LLC, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Roth, K (reprint author), TIAX LLC, Cambridge, MA USA. NR 11 TC 8 Z9 8 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 2007 VL 49 IS 7 BP 129 EP 131 PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 191YK UT WOS:000248167700010 ER PT J AU Schneider, DP Hall, PB Richards, GT Strauss, MA Berk, DEV Anderson, SF Brandt, WN Fan, XH Jester, S Gray, J Gunn, JE SubbaRao, MU Thakar, AR Stoughton, C Szalay, AS Yanny, B York, DG Bahcall, NA Barentine, J Blanton, MR Brewington, H Brinkmann, J Brunner, RJ Castander, FJ Csabai, I Frieman, JA Fukugita, M Harvanek, M Hogg, DW Ivezic, E Kent, SM Kleinman, SJ Knapp, GR Kron, RG Krzesinski, J Long, DC Lupton, RH Nitta, A Pier, JR Saxe, DH Shen, Y Snedden, SA Weinberg, DH Wu, J AF Schneider, Donald P. Hall, Patrick B. Richards, Gordon T. Strauss, Michael A. Vanden Berk, Daniel E. Anderson, Scott F. Brandt, W. N. Fan, Xiaohui Jester, Sebastian Gray, Jim Gunn, James E. SubbaRao, Mark U. Thakar, Anirudda R. Stoughton, Chris Szalay, Alexander S. Yanny, Brian York, Donald G. Bahcall, Neta A. Barentine, J. Blanton, Michael R. Brewington, Howard Brinkmann, J. Brunner, Robert J. Castander, Francisco J. Csabai, Istvan Frieman, Joshua A. Fukugita, Masataka Harvanek, Michael Hogg, David W. Ivezic, Eljko Kent, Stephen M. Kleinman, S. J. Knapp, G. R. Kron, Richard G. Krzesinski, Jurek Long, Daniel C. Lupton, Robert H. Nitta, Atsuko Pier, Jeffrey R. Saxe, David H. Shen, Yue Snedden, Stephanie A. Weinberg, David H. Wu, Jian TI The sloan digital sky survey quasar catalog. IV. Fifth data release SO ASTRONOMICAL JOURNAL LA English DT Article DE catalogs; quasars : general; surveys ID ABSORPTION-LINE QUASARS; SPECTROSCOPIC TARGET SELECTION; SURVEY COMMISSIONING DATA; ACTIVE GALACTIC NUCLEI; ROSAT ALL-SKY; SURVEY PHOTOMETRIC SYSTEM; 1ST DATA RELEASE; 3RD DATA RELEASE; BROAD ABSORPTION; Z-GREATER-THAN-5.7 QUASARS AB We present the fourth edition of the Sloan Digital Sky Survey (SDSS) Quasar Catalog. The catalog contains 77,429 objects; this is an increase of over 30,000 entries since the previous edition. The catalog consists of the objects in the SDSS Fifth Data Release that have luminosities larger than M(i) = -22.0 (in a cosmology with H(0) = 70 km s(-1) Mpc(-1), Omega(M) = 0.3, and Omega(Lambda) = 0.7), have at least one emission line with FWHM larger than 1000 km s(-1) or have interesting/complex absorption features, are fainter than i approximate to 15.0, and have highly reliable redshifts. The area covered by the catalog is approximate to 5740 deg(2). The quasar redshifts range from 0.08 to 5.41, with a median value of 1.48; the catalog includes 891 quasars at redshifts greater than 4, of which 36 are at redshifts greater than 5. Approximately half of the catalog quasars have i < 19; nearly all have i < 21. For each object the catalog presents positions accurate to better than 0.2'' rms per coordinate, five-band (ugriz) CCD-based photometry with typical accuracy of 0.03 mag, and information on the morphology and selection method. The catalog also contains basic radio, near- infrared, and X-ray emission properties of the quasars, when available, from other large-area surveys. The calibrated digital spectra cover the wavelength region 3800-9200 angstrom at a spectral resolution of similar or equal to 2000; the spectra can be retrieved from the public database using the information provided in the catalog. The average SDSS colors of quasars as a function of red-shift, derived from the catalog entries, are presented in tabular form. Approximately 96% of the objects in the catalog were discovered by the SDSS. C1 Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. Max Planck Inst Astron, D-69117 Heidelberg, Germany. Microsoft Res, San Francisco, CA 94105 USA. Univ Chicago, Chicago, IL 60637 USA. Adler Planetarium & Astron Museum, Chicago, IL 60605 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Apache Point Observ, Sunspot, NM 88349 USA. NYU, Dept Phys, New York, NY 10003 USA. Univ Illinois, Dept Astron, Urbana, IL 61801 USA. CSIC, IEEC, Inst Ciencies Espai, Barcelona 08193, Spain. Eotvos Lorand Univ, Dept Phys Complex Syst, H-1518 Budapest, Hungary. Univ Chicago, Ctr Cosmol Phys, Chicago, IL 60637 USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Krakow Pedag Univ, Mt Suhora Observ, PL-30084 Krakow, Poland. Gemini Observ, Hilo, HI 96720 USA. USN Observ, Flagstaff, AZ 86002 USA. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. RP Schneider, DP (reprint author), Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. RI Csabai, Istvan/F-2455-2012; Brandt, William/N-2844-2015; OI Brandt, William/0000-0002-0167-2453; Csabai, Istvan/0000-0001-9232-9898; Hogg, David/0000-0003-2866-9403 NR 72 TC 348 Z9 354 U1 0 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD JUL PY 2007 VL 134 IS 1 BP 102 EP 117 DI 10.1086/518474 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 183RS UT WOS:000247590500010 ER PT J AU Funk, S Hinton, JA Moriguchi, Y Aharonian, FA Fukui, Y Hofmann, W Horns, D Puhlhofer, G Reimer, O Rowell, G Terrier, R Vink, J Wagner, SJ AF Funk, S. Hinton, J. A. Moriguchi, Y. Aharonian, F. A. Fukui, Y. Hofmann, W. Horns, D. Puehlhofer, G. Reimer, O. Rowell, G. Terrier, R. Vink, J. Wagner, S. J. TI XMM-Newton observations of HESS J1813-178 reveal a composite Supernova remnant SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE ISM : supernova remnants; ISM : individual objects : HESS J1813-178; ISM : individual objects : G12.82-0.02 ISM : individual objects : AXJ1813-178; gamma rays : observations ID ENERGY GAMMA-RAYS; GALACTIC PLANE; INNER GALAXY; MOLECULAR CLOUDS; EMISSION; DISCOVERY; RADIATION; BINARY; FIELD; GAS AB Aims. We present X-ray and (CO)-C-12(J = 1-0) observations of the very-high-energy (VHE) gamma-ray source HESS J1813-178 with the aim of understanding the origin of the gamma-ray emission. Methods. High-angular resolution X-ray studies of the VHE gamma-ray emission region are performed using 18.6 ks of XMM-Newton data, taken on HESS J1813-178 in October 2005. Using this data set we are able to undertake spectral and morphological studies of the X-ray emission from this object with greater precision than previous studies. NANTEN (CO)-C-12(J=1-0) data are used to search for correlations of the X-ray emission with molecular clouds which could act as target material for X-ray production in a hadronic scenario. Results. The NANTEN (CO)-C-12(J = 1- 0) observations show a giant molecular cloud of mass 2.5 x 10(5) M-circle dot at a distance of 4 kpc in the vicinity of HESS J1813- 178. Even though there is no direct positional coincidence, this giant cloud may have influenced the evolution of the X-ray source and its surroundings. The X- ray data show a highly absorbed ( n(H) similar to 1. x 10(23) cm(-2)) non-thermal X-ray emitting object coincident with the previously known ASCA source AXJ1813-178 exhibiting a compact core and an extended tail towards the north- east, located in the centre of the radio shell- type Supernova remnant ( SNR) G12.82 - 0.02. This central object shows morphological and spectral resemblance to a Pulsar Wind Nebula ( PWN) and we therefore consider that this object is very likely to be a composite SNR. We discuss the scenario in which the gamma-rays originate in the shell of the SNR, and that in which they originate in the central object, in terms of a time- dependent one- zone leptonic model. We demonstrate, that in order to connect the core X-ray emission to the VHE gamma-ray emission electrons have to be accelerated to energies of at least 1 PeV. C1 Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. SLAC, Kavli Inst Astroparticle Phys & Cosmol, Menlo Pk, CA 94025 USA. Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. Nagoya Univ, Dept Astrophys, Chikusa Ku, Nagoya, Aichi 4648602, Japan. Dublin Inst Adv Studies, Dublin 2, Ireland. Univ Tubingen, Inst Astron & Astrophys, D-72076 Tubingen, Germany. Univ Heidelberg, D-69117 Heidelberg, Germany. Stanford Univ, HEPL, Moffett Field, CA 94035 USA. Stanford Univ, KIPAC, Moffett Field, CA 94035 USA. Univ Adelaide, Sch Chem & Phys, Adelaide, SA 5005, Australia. APC, F-75231 Paris 05, France. Univ Utrecht, Astron Inst, NL-3508 TA Utrecht, Netherlands. RP Funk, S (reprint author), Max Planck Inst Kernphys, POB 103980, D-69029 Heidelberg, Germany. EM Stefan.Funk@slac.stanford.edu RI Horns, Dieter/C-9727-2011; Reimer, Olaf/A-3117-2013; Funk, Stefan/B-7629-2015; OI Reimer, Olaf/0000-0001-6953-1385; Funk, Stefan/0000-0002-2012-0080; Rowell, Gavin/0000-0002-9516-1581 NR 33 TC 31 Z9 31 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUL PY 2007 VL 470 IS 1 BP 249 EP 257 DI 10.1051/0005-6361:20066779 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 189GM UT WOS:000247977400026 ER PT J AU Mattsson, L Hofner, S Herwig, F AF Mattsson, L. Hoefner, S. Herwig, F. TI Mass loss evolution and the formation of detached shells around TP-AGB stars SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE stars : AGB and post-AGB; stars : atmospheres; stars : carbon; stars : circumstellar matter; stars : evolution; stars : mass-loss ID LONG-PERIOD VARIABLES; BRIGHT CARBON STARS; CIRCUMSTELLAR DUST SHELLS; DYNAMIC-MODEL ATMOSPHERES; HYDRODYNAMICAL MODELS; SYNTHETIC SPECTRA; RICH MIRAS; WINDS; SIMULATIONS; CONVECTION AB Context. The origin of the so called "detached shells" around AGB stars is not fully understood, but two common hypotheses state that these shells form either through the interaction of distinct wind phases or an eruptive mass loss associated with a He-shell flash. We present a model of the formation of detached shells around thermal pulse asymptotic giant branch (TP- AGB) stars, based on detailed modelling of mass loss and stellar evolution, leading to a combination of eruptive mass loss and wind interaction. Aims. The purpose of this paper is first of all to connect stellar evolution with wind and mass loss evolution and demonstrate its consistency with observations, but also to show how thin detached shells around TP-AGB stars can be formed. Previous attempts to link mass loss evolution with the formation of detached shells were based on approximate prescriptions for the mass loss and have not included detailed modelling of the wind formation as we do here. Methods. Using stellar parameters sampled from an evolutionary track for a 2 M-circle dot star, we have computed the time evolution of the atmospheric layers and wind acceleration region during a typical thermal pulse with detailed radiation hydrodynamical models including dust formation. Based on these results, we simulate the subsequent circumstellar envelope (CSE) evolution using a spherical hydrodynamic model. Results. We find that existing simple mass loss prescriptions all suggest different mass loss evolutions and that they differ from our detailed wind modelling. The most important factor for the formation of a detached shell is the wind velocity evolution which has a strong impact on the wind interaction and the resulting pile- up of matter. Our CSE model shows that a thin shell structure may be formed as a consequence of a rather short phase of intense mass loss in combination with a significant variation in the wind velocity, as obtained by our wind models. This situation can only be obtained for a limited range of amplitudes for the piston boundary used in the dynamic atmosphere models. Conclusions. The combined mass loss eruption and wind interaction scenario for the formation of detached shells around AGB stars (suggested by previous work) is confirmed by the present modelling. Changes in mass loss rate and wind velocity due to a He- shell flash are adequate for creating distinct wind phases and a "snow plow effect" that is necessary to form a geometrically thin detached shell. The derived properties of the shell (i.e. radius, thickness and density) are more or less consistent with existing observational constraints. C1 Uppsala Univ, Dept Astron & Space Phys, Uppsala 75120, Sweden. Univ Keele, Sch Phys & Geog sci, Keele Astrophys Grp, Keele ST5 5BG, Staffs, England. LANL, Theoret Astrophys Grp, Los Alamos, NM 87545 USA. RP Mattsson, L (reprint author), Uppsala Univ, Dept Astron & Space Phys, Box 515, Uppsala 75120, Sweden. EM mattsson@astro.uu.se; hoefner@astro.uu.se; fherwig@astro.keele.ac.uk NR 40 TC 31 Z9 31 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUL PY 2007 VL 470 IS 1 BP 339 EP U180 DI 10.1051/0004-6361:20066368 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 189GM UT WOS:000247977400034 ER PT J AU Barnard, R Trudolyubov, S Kolb, UC Haswell, CA Osborne, JP Priedhorsky, WC AF Barnard, R. Trudolyubov, S. Kolb, U. C. Haswell, C. A. Osborne, J. P. Priedhorsky, W. C. TI On the artificial nature of aperiodic variability in XMM-Newton observations of M 31 X-ray sources and the ultraluminous X-ray source NGC 4559 ULX-7 SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE X-rays : binaries; galaxies : individual : M 31; galaxies : individual : NGC 4559; galaxies : individual : NGC 5408; X-rays : general ID CENTRAL REGION; M31; GALAXIES; CHANDRA AB Context. Power density spectra ( PDS) that are characteristic of low mass X-ray binaries ( LMXBs) have been previously reported for M 31 X-ray sources, observed by XMM-Newton. However, we have recently discovered that these PDS result from the improper addition/subtraction of non-simultaneous lightcurves. Aims. To understand the properties and origins of the artefact. Methods. We re-analysed our XMM-Newton observations of M 31 with non-simultaneous and simultaneous lightcurves, then combined simulated lightcurves at various intensities with various offsets and found that the artefact is more dependent on the offset than the intensity. Results. The lightcurves produced by the XMM-Newton Science Analysis Software ( SAS) are non-synchronised by default. This affects not only the combination of lightcurves from the three EPIC detectors ( MOS1, MOS2 and pn), but also background subtraction in the same CCD. It is therefore imperative that all SAS-generated lightcurves are synchronised by time filtering, even if the whole observation is to be used. We also find that the reported timing behaviour for NGC 4559 ULX-7 was also contaminated by the artefact; there is no significant variability in the correctly-combined lightcurves of NGC 4559 ULX-7. Hence, the classification of this source as an intermediate-mass black hole is no longer justified. Conclusions. While previous timing results from M 31 have been proven wrong, and also the broken power law PDS in NGC 4559 ULX-7, XMM-Newton was able to detect aperiodic variability in just 3 ks of observations of NGC 5408 ULX1. Hence XMM-Newton remains a viable tool for analysing variability in extra-galactic X-ray sources. C1 Open Univ, Dept Phys & Astron, Milton Keynes MK7 6BT, Bucks, England. Univ Calif Riverside, Inst Geophys & Planetary Phys, Riverside, CA 92521 USA. Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Barnard, R (reprint author), Open Univ, Dept Phys & Astron, Walton Hall, Milton Keynes MK7 6BT, Bucks, England. EM r.barnard@open.ac.uk OI Priedhorsky, William/0000-0003-0295-9138 NR 20 TC 17 Z9 17 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUL PY 2007 VL 469 IS 3 BP 875 EP 879 DI 10.1051/0004-6361:20066333 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 185WD UT WOS:000247740200008 ER PT J AU Knop, S Hauschildt, PH Baron, E Dreizler, S AF Knop, S. Hauschildt, P. H. Baron, E. Dreizler, S. TI Analyzing SN 2003Z with PHOENIX SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE stars : supernovae : individual : SN 2003Z; radiative transfer ID STELLAR ATMOSPHERE PROGRAM; PARALLEL IMPLEMENTATION; RADIATIVE-TRANSFER; PLATEAU SUPERNOVA; PROGENITOR STAR; 2001DU AB Aims. We present synthetic spectra around maximum for the type II supernova SN 2003Z, which was first detected on January 29.7 2003. Comparison with observed spectra aim at the determination of physical parameters for SN 2003Z. Methods. Synthetic spectra are calculated with our stellar atmosphere code PHOENIX. It solves the special relativistic equation of radiative transfer, including large NLTE-calculations and line blanketing by design, in 1-dimensional spherical symmetry. The observed spectra were obtained at the 3.5 m telescope at Calar Alto. The TWIN instrument was used so that a spectral range from about 3600 to 7500 angstrom was covered. The spectra were taken on Feb. 4, 5, 9, and 11, 2003. Results. The physical parameters of the models give the luminosities, a range of possible velocity profiles for the SN, an estimate of the colour excess, and the observed metalicity. C1 Hamburger Sternwarte, D-21029 Hamburg, Germany. Univ Oklahoma, Norman, OK 73019 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Gottingen, Inst Astrophys, D-37077 Gottingen, Germany. RP Knop, S (reprint author), Hamburger Sternwarte, Gojenbergsweg 112, D-21029 Hamburg, Germany. EM sknop@hs.uni-hamburg.de; yeti@hs.uni-hamburg.de; baron@nhn.ou.edu; dreizler@astro.physik.uni-goettingen.de RI Baron, Edward/A-9041-2009 OI Baron, Edward/0000-0001-5393-1608 NR 23 TC 3 Z9 3 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD JUL PY 2007 VL 469 IS 3 BP 1077 EP 1081 DI 10.1051/0004-6361:20066726 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 185WD UT WOS:000247740200029 ER PT J AU Abbasi, RU Abu-Zayyad, T Amann, JF Archbold, G Belov, K Belz, JW BenZvi, S Bergman, DR Blake, SA Cao, Z Connolly, BM Deng, W Fedorova, Y Findlay, J Finley, CB Gray, RC Hanlon, WF Hoffman, CM Holzscheiter, MH Hughes, GA Huntemeyer, P Jones, BF Jui, CCH Kim, K Kirn, MA Loh, EC Maestas, MM Manago, N Marek, LJ Martens, K Matthews, JAJ Matthews, JN Moore, SA O'Neill, A Painter, CA Perera, L Reil, K Riehle, R Rodriguez, D Roberts, MD Sasaki, M Schnetzer, SR Scott, LM Sinnis, G Smith, JD Sokolsky, P Song, C Springer, RW Stokes, BT Thomas, JR Thomas, SB Thomson, GB Tupa, D Westerhoff, S Wiencke, LR Zech, A Zhang, X AF Abbasi, R. U. Abu-Zayyad, T. Amann, J. F. Archbold, G. Belov, K. Belz, J. W. BenZvi, S. Bergman, D. R. Blake, S. A. Cao, Z. Connolly, B. M. Deng, W. Fedorova, Y. Findlay, J. Finley, C. B. Gray, R. C. Hanlon, W. F. Hoffman, C. M. Holzscheiter, M. H. Hughes, G. A. Huntemeyer, P. Jones, B. F. Jui, C. C. H. Kim, K. Kirn, M. A. Loh, E. C. Maestas, M. M. Manago, N. Marek, L. J. Martens, K. Matthews, J. A. J. Matthews, J. N. Moore, S. A. O'Neill, A. Painter, C. A. Perera, L. Reil, K. Riehle, R. Rodriguez, D. Roberts, M. D. Sasaki, M. Schnetzer, S. R. Scott, L. M. Sinnis, G. Smith, J. D. Sokolsky, P. Song, C. Springer, R. W. Stokes, B. T. Thomas, J. R. Thomas, S. B. Thomson, G. B. Tupa, D. Westerhoff, S. Wiencke, L. R. Zech, A. Zhang, X. CA High-Resolution Fly's Eye Collabor TI Search for point-like sources of cosmic rays with energies above 10(18.5) eV in the HiRes-1 monocular data set SO ASTROPARTICLE PHYSICS LA English DT Article DE cosmic rays; anisotropy; point source; HiRes ID SMALL-SCALE ANISOTROPY; AIR-SHOWER ARRAY; NEUTRAL PARTICLES; GALACTIC-CENTER; GAMMA-RAY; BL-LACERTAE; FLYS EYE; CYGNUS-X-3; DIRECTION; SPECTRUM AB We report the results of a search for point-like deviations from isotropy in the arrival directions of ultra-high energy cosmic rays in the northern hemisphere. In the monocular data set collected by the High-Resolution Fly's Eye, consisting of 1525 events with energy exceeding 10(18.5) eV, we find no evidence for point-like excesses. We place a 90% c.1. upper limit of 0.8 hadronic cosmic rays/km(2) yr on the flux from such sources for the northern hemisphere and place tighter limits as a function of position in the sky. Published by Elsevier B.V. C1 Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Univ Utah, High Energy Astrophys Lab, Salt Lake City, UT 84112 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. Nevis Lab, New York, NY 10027 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ USA. Montana State Univ, Dept Phys, Bozeman, MT 59717 USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba, Japan. Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA. RP Kirn, MA (reprint author), Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. EM kirn@fnal.gov RI Song, Chihwa/A-3455-2008; Martens, Kai/A-4323-2011; Belov, Konstantin/D-2520-2013; OI Tupa, Dale/0000-0002-6265-5016 NR 40 TC 4 Z9 4 U1 0 U2 3 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 2007 VL 27 IS 6 BP 512 EP 520 DI 10.1016/j.astropartphys.2007.03.002 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 186HP UT WOS:000247770000005 ER PT J AU Muzzin, A Yee, HKC Hall, PB Lin, H AF Muzzin, Adam Yee, H. K. C. Hall, Patrick B. Lin, H. TI Near-infrared properties of moderate-redshift galaxy clusters. II. Halo occupation number, mass-to-light ratios, and Omega(m) SO ASTROPHYSICAL JOURNAL LA English DT Review DE dark matter; galaxies : clusters : general; galaxies : fundamental parameters; galaxies : photometry; large-scale structure of universe ID DIGITAL SKY SURVEY; LY-ALPHA FOREST; UNIVERSAL DENSITY PROFILE; BAND LUMINOSITY FUNCTION; LARGE-SCALE STRUCTURE; DARK-MATTER HALOS; X-RAY; STELLAR MASS; FIELD GALAXIES; HYDRODYNAMIC SIMULATIONS AB Using K- band imaging for 15 of the Canadian Network for Observational Cosmology ( CNOC1) clusters we examine the near- infrared properties of moderate- redshift ( 0.19 < z < 0.55) galaxy clusters. We find that the number of K- band selected cluster galaxies within R-500 ( the halo occupation number, HON) is well correlated with the cluster dynamical mass ( M-500) and X- ray temperature ( T-X); however, the intrinsic scatter in these scaling relations is 37% and 46%, respectively. Comparison with clusters in the local universe shows that the HON-M-500 relation does not evolve significantly between z = 0 and z similar to 0.3. This suggests that if dark matter halos are disrupted or undergo significant tidal stripping in high-density regions as seen in numerical simulations, the stellar mass within the halos is tightly bound, and not removed during the process. The total K- band cluster light ( L-200,L-K) and K-band-selected richness ( parameterized by B-gc,B- K) are also correlated with both the cluster T-X and M-200. The total ( intrinsic) scatter in the L-200,L-K-M-200 and B-gc,B-K- M-200 relations are 43% (31%) and 35% (18%), respectively, and indicates that for massive clusters both L-200,L-K and B-gc,B-K can predict M-200 with accuracy similar to that of T-X, L-X, or optical richness ( B-gc). Examination of the mass-to-light ratios of the clusters shows that similarly to local clusters, the K- band mass-to-light ratio is an increasing function of halo mass. Using the K-band mass-to-light ratios of the clusters, we apply the Oort technique and find Omega(m,0) = 0.22 +/- 0.02, which agrees well with recent combined concordance cosmology parameters, but, similarly to previous cluster studies, is on the low- density end of preferred values. C1 Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. York Univ, Dept Phys & Astron, N York, ON M3J 1P3, Canada. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Muzzin, A (reprint author), Univ Toronto, Dept Astron & Astrophys, 50 St Goerge St, Toronto, ON M5S 3H4, Canada. EM adam.muzzin@utoronto.ca; hyee@astro.utoronto.ca; phall@yorku.ca; hlin@fnal.gov NR 112 TC 26 Z9 28 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 2007 VL 663 IS 1 BP 150 EP 163 DI 10.1086/518229 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 182ZO UT WOS:000247542700013 ER PT J AU Demarco, R Rosati, P Lidman, C Girardi, M Nonino, M Rettura, A Strazzullo, V van der Wel, A Ford, HC Mainieri, V Holden, BP Stanford, SA Blakeslee, JP Gobat, R Postman, M Tozzi, P Overzier, RA Zirm, AW Benitez, N Homeier, NL Illingworth, GD Infante, L Jee, MJ Mei, S Menanteau, F Motta, V Zheng, W Clampin, M Hartig, G AF Demarco, R. Rosati, P. Lidman, C. Girardi, M. Nonino, M. Rettura, A. Strazzullo, V. van der Wel, A. Ford, H. C. Mainieri, V. Holden, B. P. Stanford, S. A. Blakeslee, J. P. Gobat, R. Postman, M. Tozzi, P. Overzier, R. A. Zirm, A. W. Benitez, N. Homeier, N. L. Illingworth, G. D. Infante, L. Jee, M. J. Mei, S. Menanteau, F. Motta, V. Zheng, W. Clampin, M. Hartig, G. TI VLT and ACS observations of RDCS J1252.9-2927: Dynamical structure and galaxy populations in a massive cluster at z=1.237 SO ASTROPHYSICAL JOURNAL LA English DT Review DE galaxies : clusters : general; galaxies : clusters : individual (ClG J1252.9-2927) ID MORPHOLOGY-DENSITY RELATION; COLOR-MAGNITUDE RELATION; HUBBLE-SPACE-TELESCOPE; STAR-FORMING GALAXIES; SCALE-INDEPENDENT METHOD; HIGH-REDSHIFT CLUSTERS; COMPACT BLUE GALAXIES; DEEP-FIELD-NORTH; TO-LIGHT RATIOS; H-ALPHA AB We present results from an extensive spectroscopic survey, carried out with VLT FORS, and from an extensive multiwavelength imaging data set from the HST Advanced Camera for Surveys and ground-based facilities, of the cluster of galaxies RDCS J1252.9 - 2927. We have spectroscopically confirmed 38 cluster members in the redshift range 1.22 < z < 1.25. A cluster median redshift of z = 1. 237 and a rest- frame velocity dispersion of 747(-84)(+74) km s(-1) are obtained. Using the 38 confirmed redshifts, we were able to resolve, for the first time at z > 1, kinematic structure. The velocity distribution, which is not Gaussian at the 95% confidence level, is consistent with two groups that are also responsible for the projected east-west elongation of the cluster. The groups are composed of 26 and 12 galaxies with velocity dispersions of 486(-85)(+47) and 426(-105)(+57) km s(-1), respectively. The elongation is also seen in the intracluster gas and the dark matter distribution. This leads us to conclude that RDCS J1252.9 - 2927 has not yet reached a final virial state. We extend the analysis of the color-magnitude diagram of spectroscopic members to more than 1 Mpc from the cluster center. The scatter and slope of non-[ O II]- emitting cluster members in the near-IR red sequence is similar to that seen in clusters at lower redshift. Furthermore, most of the galaxies with luminosities greater than similar to K-s* + 1.5 do not show any [ O II], indicating that these more luminous, redder galaxies have stopped forming stars earlier than the fainter, bluer galaxies. Our observations provide detailed dynamical and spectrophotometric information on galaxies in this exceptional high-redshift cluster, delivering an in-depth view of structure formation at this epoch only 5 Gyr after the big bang. C1 Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. European So Observ, D-85748 Garching, Germany. European So Observ, Santiago, Chile. Univ Trieste, Dipartimento Astron, Trieste, Italy. Osserv Astron Trieste, INAF, I-34131 Trieste, Italy. Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95065 USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. RP Demarco, R (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. EM demarco@pha.jhu.edu RI van der Wel, Arjen/G-8365-2011; Clampin, mark/D-2738-2012; OI Nonino, Mario/0000-0001-6342-9662; Menanteau, Felipe/0000-0002-1372-2534; Benitez, Narciso/0000-0002-0403-7455; Blakeslee, John/0000-0002-5213-3548 NR 116 TC 50 Z9 50 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD JUL 1 PY 2007 VL 663 IS 1 BP 164 EP 182 DI 10.1086/518117 PN 1 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 182ZO UT WOS:000247542700014 ER PT J AU Trudolyubov, SP Priedhorsky, WC Cordova, FA AF Trudolyubov, Sergey P. Priedhorsky, William C. Cordova, France A. TI Chandra and XMM-Newton discovery of transient X-ray pulsar in the nearby spiral galaxy NGC 2403 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : individual (NGC 2403); X-rays : binaries; X-rays : stars ID ACCRETION TORQUES; NEUTRON-STARS; GRO J1744-28; EMISSION; POPULATION; LUMINOSITY; CATALOG; PERIOD AB We report on the discovery and analysis of the transient X-ray pulsar CXOU J073709.1+653544 detected in the 2004 August - October Chandra and XMM-Newton observations of the nearby spiral galaxy NGC 2403. The X-ray source exhibits X-ray pulsations with a period P similar to 18 s and a nearly sinusoidal pulse shape and pulsed fraction 46% - 70% during the first three observations. The observed pulsation period decreased rapidly from 18.25 s on August 9 to 17.93 s on September 12 and possibly 17.56 s on 2004 October 3. The X-ray spectra of CXOUJ073709.1+653544 are hard and are well fitted with an absorbed simple power law of photon index Gamma similar to 0.9 1.2 in the 0.3 - 7 keV energy band. The X-ray properties of the source and the absence of an optical / UV counterpart brighter than 20 mag allow us to identify CXOU J073709.1+653544 as an accreting X-ray pulsar in NGC 2403. The maximum unabsorbed luminosity of the source in the 0.3 - 7 keV range, L-X similar to 2.6; 10(38) ergs s(-1) at 3.2 Mpc, is at least 260 times higher than its quiescent luminosity. The estimated source luminosity in the 0.3 - 100 keV energy range could be as high as similar to 1.2 x 10(39) ergs s(-1). The rate of decrease of the pulsation period of the source (P similar to 10(-7) s s(-1)) is one of the fastest observed among accreting pulsars. The evolution of the pulsation period suggests that it is dominated by the intrinsic spin-up of the compact object, which is almost certainly a neutron star. The X-ray luminosity of CXOU J073709.1+653544 is high enough to account for the observed spin-up rate, assuming that the X-ray source is powered by disk accretion onto a highly magnetized neutron star. Based on the transient behavior and overall X-ray properties of the source, it could be an X-ray pulsar belonging to either a Be binary system or a low-mass system similar to the transient Galactic bursting pulsar GRO J1744 - 28. C1 Univ Calif Riverside, Inst Geophys & Planetary Phys, Riverside, CA 92521 USA. Russian Acad Sci, Space Res Inst, Moscow 117810, Russia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. RP Trudolyubov, SP (reprint author), Univ Calif Riverside, Inst Geophys & Planetary Phys, Riverside, CA 92521 USA. OI Priedhorsky, William/0000-0003-0295-9138 NR 40 TC 3 Z9 3 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 2007 VL 663 IS 1 BP 487 EP 496 DI 10.1086/518500 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 182ZO UT WOS:000247542700040 ER PT J AU Chan, WR Nazaroff, WW Price, PN Gadgil, AJ AF Chan, Wanyu R. Nazaroff, William W. Price, Phillip N. Gadgil, Ashok J. TI Effectiveness of urban shelter-in-place-I: Idealized conditions SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE outdoor-indoor exposure; acute health effect; toxic chemical; emergency response ID RESIDENCE; DIFFUSION; ACCIDENTS; WIND; BUILDINGS; RATES AB For a large-scale, unanticipated release of a toxic chemical into the atmosphere, it is recommended for nearby populations to shelter indoors. Two new metrics to quantify the community-scale effectiveness of shelter-m-place (SIP) are introduced. The casualty reduction factor (CRF) quantifies the expected reduction in casualties if SIP is performed. The safety-factor multiplier (SFM) quantifies the extent of toxic-load reduction for individuals in each exposed building. In this paper, idealized models are combined to explore the relationships among important input parameters and the SIPeffectiveness metrics. A Gaussian plume model predicts ambient concentrations for a hypothetical release event. A box model predicts indoor concentrations in buildings. A toxic-load model links exposure to health consequences. SIP effectiveness varies significantly with the toxic-load exponent, in, which characterizes the dose-response relationship. Another influential variable is a dimensionless time scale,, equal to the release duration multiplied by the building air-exchange rate. Other factors that influence SIP effectiveness include the magnitude of the release relative to the toxicity of the pollutant, atmospheric transport and dispersion rates, and punctual termination of SIP once the toxic cloud has passed. SIP can be effective for short-duration releases (xi < 1), especially for chemicals with in of 2-3 or higher. If m = 1, punctual termination at the end of the event can be important to ensure SIP effectiveness. (c) 2007 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Gadgil, AJ (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Mailstop 90R3058, Berkeley, CA 94720 USA. EM ajgadgil@lbl.gov RI Nazaroff, William/C-4106-2008; OI Nazaroff, William/0000-0001-5645-3357; Gadgil, Ashok/0000-0002-0357-9455 NR 28 TC 14 Z9 14 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD JUL PY 2007 VL 41 IS 23 BP 4962 EP 4976 DI 10.1016/j.atmosenv.2007.01.041 PG 15 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 187SH UT WOS:000247868300017 ER PT J AU Kovacs, EW Hooker, JM Romanini, DW Holder, PG Berry, KE Francis, MB AF Kovacs, Ernest W. Hooker, Jacob M. Romanini, Dante W. Holder, Patrick G. Berry, Katherine E. Francis, Matthew B. TI Dual-surface-modified bacteriophage MS2 as an ideal scaffold for a viral capsid-based drug delivery system SO BIOCONJUGATE CHEMISTRY LA English DT Article ID DISPLAYED PEPTIDE LIBRARIES; ICOSAHEDRAL VIRUS-PARTICLES; TOBACCO-MOSAIC-VIRUS; CONTRAST AGENTS; IN-VITRO; NANOPARTICLES; PROTEIN; MS2; ADENOVIRUSES; PEGYLATION AB With the development of covalent modification strategies for viral capsids comes the ability to convert them into modular carrier systems for drug molecules and imaging agents. With this overall goal in mind, we have used two orthogonal modification strategies to decorate the exterior surface of genome-free MS2 capsids with PEG chains, while installing 50-70 copies of a fluorescent dye inside as a drug cargo mimic. Despite the very high levels of modification, the capsids remained in the assembled state, as determined by TEM, size-exclusion chromatography, and dynamic light scattering analysis. The ability of the polymer coating to block the access of polyclonal antibodies to the capsid surface was probed using a sandwich ELISA, which indicated a 90% reduction in binding. Further experiments indicated that biotin groups placed at the distal ends of the polymer chains were still capable of binding to streptavidin, despite their proximity to the PEG layer. Finally, a modular strategy was developed for the attachment of small-molecule targeting groups to the polymer chains through an efficient oxime formation reaction. As a result of these studies, a robust and versatile new platform has emerged for the potential delivery of therapeutic cargo. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Div Mat Sci, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM francis@cchem.berkeley.edu RI Holder, Patrick/D-3202-2013; Holder, Patrick/O-4876-2016; OI Holder, Patrick/0000-0003-0971-191X; Holder, Patrick/0000-0003-0971-191X; Hooker, Jacob/0000-0002-9394-7708 FU NIGMS NIH HHS [1 T32 GM066698, GM072700-01] NR 46 TC 120 Z9 121 U1 3 U2 55 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD JUL-AUG PY 2007 VL 18 IS 4 BP 1140 EP 1147 DI 10.1021/bc070006e PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 190UI UT WOS:000248085700016 PM 17602681 ER PT J AU Chen, BW Cao, HS Yan, P Mayer, MU Squier, TC AF Chen, Baowei Cao, Haishi Yan, Ping Mayer, M. Uljana Squier, Thomas C. TI Identification of an orthogonal peptide binding motif for biarsenical multiuse affinity probes SO BIOCONJUGATE CHEMISTRY LA English DT Article ID ASSISTED LIGHT INACTIVATION; LIVING CELLS; IN-VIVO; PROTEIN; CALMODULIN; COMPLEX; FLUORESCENCE; ACTIVATION; GREEN; FLASH AB Biarsenical multiuse affinity probes (MAPs) complexed with ethanedithiol (EDT) permit the selective cellular labeling of proteins engineered with tetracysteine motifs, but are limited by the availability of a single binding motif (i.e., CCPGCC or PG tag) that prevents the differential labeling of coexpressed proteins. To overcome this problem, we have used a high-throughput peptide screen to identify an alternate binding motif (i.e., CCKACC or KA tag), which has a similar brightness to the classical sequence upon MAP binding, but displays altered rates and affinities of association that permit the differential labeling of these peptide sequences by the red probe 4,5-bis(1,3,2-dithiarsolan-2-yl)-resorufin (ReAsH-EDT2) or its green cognate 4',5'-bis(1,3,2-dithoarsolan-2-yl)fluorescein (FLAsH-EDT2). The utility of this labeling strategy was demonstrated following the expression of PG- and KA-tagged subunits of RNA polymerase in E. coli. Specific labeling of two subunits of RNA polymerase in cellular lysates was achieved, whereby ReAsH-EDT2 is shown to selectively label the PG-tag on RNA polymerase alpha-subunit prior to the labeling of the KA-tag sequence of the beta-subunit of RNA polymerase with FlAsH-EDT2. These results demonstrate the ability to selectively label multiple individual proteins with orthogonal sequence tags in complex cellular lystates with spectroscopically distinct MAPs, and indicate the absolute specificity of ReAsH to target expressed proteins with essentially no nonspecific binding interactions. C1 Pacific NW Natl Lab, Div Biol Sci, Cell Biol & Biochem Grp, Richland, WA 99352 USA. RP Squier, TC (reprint author), Pacific NW Natl Lab, Div Biol Sci, Cell Biol & Biochem Grp, PO Box 999,Mailstop P7-53, Richland, WA 99352 USA. EM thomas.squier@pnl.gov NR 28 TC 28 Z9 28 U1 0 U2 0 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1043-1802 J9 BIOCONJUGATE CHEM JI Bioconjugate Chem. PD JUL-AUG PY 2007 VL 18 IS 4 BP 1259 EP 1265 DI 10.1021/bc0603900 PG 7 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 190UI UT WOS:000248085700031 PM 17569496 ER PT J AU Webb-Robertson, BJM Peterson, ES Singhal, M Klicker, KR Oehmen, CS Adkins, JN Havre, SL AF Webb-Robertson, Bobbie-Jo M. Peterson, Elena S. Singhal, Mudita Klicker, Kyle R. Oehmen, Christopher S. Adkins, Joshua N. Havre, Susan L. TI PQuad - a visual analysis platform for proteomic data exploration of microbial organisms SO BIOINFORMATICS LA English DT Article AB The visual Platform for Proteomics Peptide and Protein data exploration (PQuad) is a multi-resolution environment that visually integrates genomic and proteomic data for prokaryotic systems, overlays categorical annotation and compares differential expression experiments. PQuad requires Java 1.5 and has been tested to run across different operating systems. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Webb-Robertson, BJM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM bobbie-jo.webb-robertson@pnl.gov RI Adkins, Joshua/B-9881-2013 OI Adkins, Joshua/0000-0003-0399-0700 FU NIAID NIH HHS [Y1-AI-4894-01] NR 3 TC 1 Z9 1 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD JUL 1 PY 2007 VL 23 IS 13 BP 1705 EP 1707 DI 10.1093/bioinformatics/btm132 PG 3 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 198IN UT WOS:000248620400022 PM 17483503 ER PT J AU Mungall, CJ Emmert, DB AF Mungall, Christopher J. Emmert, David B. CA FlyBase Consortium TI A Chado case study: an ontology-based modular schema for representing genome-associated biological information SO BIOINFORMATICS LA English DT Article; Proceedings Paper CT 15th Conference on Intelligent Systems for Molecular Biology/6th European Conference on Computational Biology CY JUL 21-25, 2007 CL Vienna, AUSTRIA ID SEQUENCE ONTOLOGY; UNIFICATION; DATABASE; TOOL AB Motivation: A few years ago, FlyBase undertook to design a new database schema to store Drosophila data. It would fully integrate genomic sequence and annotation data with bibliographic, genetic, phenotypic and molecular data from the literature representing a distillation of the first 100 years of research on this major animal model system. In developing this new integrated schema, FlyBase also made a commitment to ensure that its design was generic, extensible and available as open source, so that it could be employed as the core schema of any model organism data repository, thereby avoiding redundant software development and potentially increasing interoperability. Our question was whether we could create a relational database schema that would be successfully reused. Results: Chado is a relational database schema now being used to manage biological knowledge for a wide variety of organisms, from human to pathogens, especially the classes of information that directly or indirectly can be associated with genome sequences or the primary RNA and protein products encoded by a genome. Biological databases that conform to this schema can interoperate with one another, and with application software from the Generic Model Organism Database (GMOD) toolkit. Chado is distinctive because its design is driven by ontologies. The use of ontologies ( or controlled vocabularies) is ubiquitous across the schema, as they are used as a means of typing entities. The Chado schema is partitioned into integrated subschemas ( modules), each encapsulating a different biological domain, and each described using representations in appropriate ontologies. To illustrate this methodology, we describe here the Chado modules used for describing genomic sequences. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Harvard Univ, Cambridge, MA 02138 USA. RP Mungall, CJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mail Stop 64R0121, Berkeley, CA 94720 USA. EM cjm@fruitfly.org; emmert@morgan.harvard.edu RI Smith, Barry/A-9525-2011; OI Smith, Barry/0000-0003-1384-116X; Lewis, Suzanna/0000-0002-8343-612X; Rubin, Gerald/0000-0001-8762-8703 FU Medical Research Council [G0500293]; NHGRI NIH HHS [5P41 HG000739] NR 21 TC 95 Z9 96 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD JUL 1 PY 2007 VL 23 IS 13 BP I337 EP I346 DI 10.1093/bioinformatics/btm189 PG 10 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 198IN UT WOS:000248620400064 PM 17646315 ER PT J AU Dorcas, ME Willson, JD Gibbons, JW AF Dorcas, Michael E. Willson, John D. Gibbons, J. Whitfield TI Crab trapping causes population decline and demographic changes in diamondback terrapins over two decades SO BIOLOGICAL CONSERVATION LA English DT Article DE by-catch reduction device; crab trap; Malaclemys terrapin; mortality; salt marsh; turtle ID TURTLE MALACLEMYS-TERRAPIN; BYCATCH REDUCTION DEVICES; CAPTURE; POTS; PREDATION; MORTALITY; FLORIDA AB Diamondback terrapins (Malaclemys terrapin) are thought to be declining throughout their range. Although many factors have been proposed to contribute to terrapin declines, including increased predation of nests and adults, habitat loss and degradation, road mortality, commercial harvest for food, and mortality as bycatch in crab traps, few studies have provided evidence linking these agents to population declines. Because male and small female terrapins are most susceptible to mortality in crab traps, population declines should coincide with shifts in the age and size distributions of the population and a shift to a more female-biased sex ratio. We used twenty-one years of mark-recapture data (> 2800 captures of 1399 individuals) from a declining diamondback terrapin population in South Carolina to test the prediction that the decline is the result of mortality in crab traps. Since the 1980s, the modal size of both male and female terrapins has increased substantially and the proportion that are females is higher than in earlier samples. Additionally, the population now contains more old and fewer young individuals than before. The changes in demography and sex ratio we observed suggest that this terrapin population has declined as a result of selective mortality of smaller individuals in crab traps. The use of bycatch-reduction devices on crab traps may help prevent terrapins from entering the traps, but current models are too large to prevent mortality of males and many females in this population. Future research should focus on design and testing of effective bycatch-reduction devices for specific regions and other methods to prevent terrapin mortality in crab traps. (C) 2007 Elsevier Ltd. All rights reserved. C1 Davidson Coll, Dept Biol, Davidson, NC 28035 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Dorcas, ME (reprint author), Davidson Coll, Dept Biol, Davidson, NC 28035 USA. EM midorcas@davidson.edu; willson@srel.edu; gibbons@srel.edu NR 26 TC 47 Z9 51 U1 5 U2 165 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0006-3207 J9 BIOL CONSERV JI Biol. Conserv. PD JUL PY 2007 VL 137 IS 3 BP 334 EP 340 DI 10.1016/j.biocon.2007.02.014 PG 7 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 186JS UT WOS:000247775600002 ER PT J AU Iatrou, H Frielinghaus, H Hanski, S Ferderigos, N Ruokolainen, J Ikkala, O Richter, D Mays, J Hadjichristidis, N AF Iatrou, Hermis Frielinghaus, Henrich Hanski, Sirkku Ferderigos, Nikos Ruokolainen, Janne Ikkala, Olli Richter, Dieter Mays, Jimmy Hadjichristidis, Nikos TI Architecturally induced multiresponsive vesicles from well-defined polypeptides. Formation of gene vehicles SO BIOMACROMOLECULES LA English DT Article ID DIBLOCK COPOLYMERS; POLYMER VESICLES; BLOCK-COPOLYMERS; DELIVERY; THERAPY; SYSTEMS; CANCER; MICROCAPSULES; NANOPARTICLES; TRANSITION AB A series of novel, partially labeled amphiphilic triblock copolypeptides, PLL-b-PBLG-d7-b-PLL, has been synthesized, where PLL and PBLG-d7 are poly(L-lysine hydrochloride) and poly(gamma-benzyl-d7-L-glutamate), respectively. The synthetic approach involved the sequential ring-opening polymerization (ROP) of gamma-benzyl-L-glutamate and epsilon-Boc-L-lysine N-carboxy anhydrides by a diamino initiator using high-vacuum techniques, followed by the selective deprotection of the Boc groups. Combined characterization results showed that the copolypeptides exhibit high degrees of molecular and compositional homogeneity. The synthesized copolypeptides had similar molecular weights, while the composition of the middle block ranged between 19 and 74% with respect to the monomeric units. Due to the macromolecular architecture of the copolypeptide and the rigid nature of the middle block, the formation of monolayers was favored, and, surprisingly, vesicles were formed in water at neutral pH over the entire compositional range. The vesicular structures were extensively characterized by static and dynamic light scattering, small-angle neutron scattering, atomic force microscopy, cryo-transmission electron microscopy, scanning electron microscopy, UV and Fourier transform infrared spectroscopy, and circular dichroism. In contrast to other vesicular structures derived from conventional polymers, the formed polypeptidic vesicles possess the unique feature of being stimuli-responsive to pH and temperature. When the copolypeptides were mixed with plasmid DNA (pDNA), large vesicular structures were also formed. The molecular characterization of the vectors was performed with most of the methods mentioned above, and indicated that the pDNA is both partially condensed on the PLL phase and partially encapsulated inside the vesicle. Consequently, the synthesized vectors combine the advantages of the polylysine-DNA systems to condense large amounts of genes, as well as those of the liposome-DNA systems to better protect the encapsulated DNA. These vectors are expected to present better gene transfection efficiency to the cell nucleus. C1 Univ Athens, Dept Chem, GR-15771 Athens, Greece. Helsinki Univ Technol, FIN-02015 Espoo, Finland. Forschungszentrum Julich GmbH, Inst Festkorperforsch, D-52425 Julich, Germany. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Hadjichristidis, N (reprint author), Univ Athens, Dept Chem, Panepistimiopolis Zografou, GR-15771 Athens, Greece. EM iatrou@chem.uoa.gr; hadjichristidis@chem.uoa.gr RI Ruokolainen, Janne/F-6369-2010; Ikkala, Olli/K-7447-2012; Frielinghaus, Henrich/K-6017-2013; Richter, Dieter/H-3701-2013 OI Ikkala, Olli/0000-0002-0470-1889; Frielinghaus, Henrich/0000-0002-8812-8783; Richter, Dieter/0000-0003-0719-8470 NR 41 TC 100 Z9 102 U1 3 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1525-7797 J9 BIOMACROMOLECULES JI Biomacromolecules PD JUL PY 2007 VL 8 IS 7 BP 2173 EP 2181 DI 10.1021/bm070360f PG 9 WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science SC Biochemistry & Molecular Biology; Chemistry; Polymer Science GA 187AP UT WOS:000247820000020 PM 17583949 ER PT J AU Ren, XF Yang, YH Neville, T Hoyt, D Sparks, D Wang, JJ AF Ren, Xuefeng Yang, Yunhuang Neville, Tracey Hoyt, David Sparks, Daniel Wang, Jianjun TI A complete backbone spectral assignment of human apolipoprotein AI on a 38 kDa pre beta HDL (Lp1-AI) particle SO BIOMOLECULAR NMR ASSIGNMENTS LA English DT Article DE apolipoprotein AI; atherosclerosis; reverse cholesterol transport; HDL ID PROTEIN AB ApoAI is the major protein component of the high-density lipoprotein (HDL) that has been a hot subject of interests because of its anti-atherogenic properties. ApoAI/preb-HDL is the most effective acceptors specifically for free cholesterol in human plasma and serves as the precursor of HDL particles. Here we report a complete backbone assignment of human apoAI on a 38 kDa prebHDL (Lp1-AI) particle. C1 [Ren, Xuefeng; Yang, Yunhuang; Wang, Jianjun] Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI 48201 USA. [Neville, Tracey; Sparks, Daniel] Univ Ottawa, Inst Heart, Ottawa, ON K1Y 4W7, Canada. [Hoyt, David] Pacific NW Natl Lab, EMSL, High Field Magnet Resonance Facil, Richland, WA 99352 USA. RP Wang, JJ (reprint author), Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI 48201 USA. EM jjwang@med.wayne.edu RI yang, yunhuang/F-7162-2012; Hoyt, David/H-6295-2013 FU NIH RO1 [HL076620]; International HDL Research Award; American Heart Association (AHA) [0415063Z] FX This work was supported by grants from a NIH RO1 grant (HL076620 to J.W) and an International HDL Research Award (to J.W.). Xuefeng Ren was supported by predoctoral fellowships from the American Heart Association (AHA 0415063Z to X. R). Part of the NMR experiments described in this manuscript were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the U. S. Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the Department of Energy by Battelle. NR 9 TC 4 Z9 4 U1 1 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1874-2718 J9 BIOMOL NMR ASSIGM JI Biomol. NMR Assign. PD JUL PY 2007 VL 1 IS 1 BP 69 EP 71 DI 10.1007/s12104-007-9020-5 PG 3 WC Biophysics; Spectroscopy SC Biophysics; Spectroscopy GA 341AO UT WOS:000258686800021 PM 19636829 ER PT J AU Yang, YH Hoyt, D Wang, JJ AF Yang, Yunhuang Hoyt, David Wang, Jianjun TI A complete NMR spectral assignment of the lipid-free mouse apolipoprotein A-I (apoAI) C-terminal truncation mutant, apoAI(1-216) SO BIOMOLECULAR NMR ASSIGNMENTS LA English DT Article DE apolipoprotein AI; atherosclerosis; reverse cholesterol transport; HDL AB ApoAI is the major protein component of the high-density lipoprotein (HDL) that has been a hot subject of interests because of its anti-atherogenic properties. Lipid-free apoAI specifically binds to phospholipids, triggering HDL formation. Here we report a complete backbone assignment and nearly complete sidechain assignment of a C-terminal 24-residue truncation mutant of mouse apoAI, apoAI(1-216), in its lipid-free form. C1 [Yang, Yunhuang; Wang, Jianjun] Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI 48201 USA. [Hoyt, David] Pacific NW Natl Lab, EMSL, High Field Magnet Resonance Facil, Richland, WA 99352 USA. RP Wang, JJ (reprint author), Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI 48201 USA. EM jjwang@med.wayne.edu RI yang, yunhuang/F-7162-2012; Hoyt, David/H-6295-2013 FU NIH [HL076620]; International HDL Research Award; US Department of Energy's Office FX This work was supported by grants from a NIH RO1 grant (HL076620 to J.W.) and an International HDL Research Award (to J.W.). Part of the NMR experiments described in this manuscript were performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the Department of Energy by Battelle. NR 10 TC 6 Z9 6 U1 1 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1874-2718 J9 BIOMOL NMR ASSIGM JI Biomol. NMR Assign. PD JUL PY 2007 VL 1 IS 1 BP 109 EP 111 DI 10.1007/s12104-007-9031-2 PG 3 WC Biophysics; Spectroscopy SC Biophysics; Spectroscopy GA 341AO UT WOS:000258686800033 PM 19636841 ER PT J AU Chowdhury, S Muni, NJ Greenwood, NP Pepperberg, DR Standaert, RF AF Chowdhury, Sarwat Muni, Niraj J. Greenwood, Nicholas P. Pepperberg, David R. Standaert, Robert F. TI Phosphonic acid analogs of GABA through reductive dealkylation of phosphonic diesters with lithium trialkylborohydrides SO BIOORGANIC & MEDICINAL CHEMISTRY LETTERS LA English DT Article DE GABA antagonists; GABA(C) receptors; dealkylation; phosphonate esters; lithium trialkylborohydrides ID GAMMA-AMINOBUTYRIC-ACID; SODIUM BIS(2-METHOXYETHOXY)ALUMINUM HYDRIDE; DI-P-NITROBENZYL; DIALKYL PHOSPHONATES; RECEPTOR ANTAGONISTS; TRIPHOSPHATE ANALOGS; SELECTIVE CLEAVAGE; XENOPUS OOCYTES; ESTERS; PHARMACOLOGY AB Lithium trialkylborohydrides were found to effect rapid monodealkylation of phosphonic diesters, and this reaction was applied to the synthesis of alkylphosphonic acid 2-aminoethyl esters [H2N(CH2)(2)OP(0H)R, 4], a little-explored class of analogs of the inhibitory neurotransmitter -gamma-aminobutyric acid (GABA). Compound 4a (R = Me) proved to be a potent antagonist at human p1 GABA(C) receptors (expressed in Xenopus laevis oocytes), with an IC50 of 11.1 mu M, but is inactive at alpha(1)beta(2)gamma(2) GABA(A) receptors. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Illinois, Dept Ophthalmol & Visual Sci, Chicago, IL 60612 USA. Univ Illinois, Dept Chem, Chicago, IL 60607 USA. Univ Illinois, Dept Bioengn, Chicago, IL 60607 USA. Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Pepperberg, DR (reprint author), Univ Illinois, Dept Ophthalmol & Visual Sci, 1885 W Taylor St, Chicago, IL 60612 USA. EM davipepp@uic.edu; standaertrf@ornl.gov RI Standaert, Robert/D-9467-2013 OI Standaert, Robert/0000-0002-5684-1322 FU NEI NIH HHS [EY001792, EY013693, EY016094, R01 EY016094, R01 EY016094-01A1, R03 EY013693, R03 EY013693-03] NR 59 TC 7 Z9 7 U1 0 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-894X J9 BIOORG MED CHEM LETT JI Bioorg. Med. Chem. Lett. PD JUL 1 PY 2007 VL 17 IS 13 BP 3745 EP 3748 DI 10.1016/j.bmcl.2007.04.026 PG 4 WC Chemistry, Medicinal; Chemistry, Organic SC Pharmacology & Pharmacy; Chemistry GA 187QV UT WOS:000247864100042 PM 17467985 ER PT J AU Lapidus, LJ Yao, SH McGarrity, KS Hertzog, DE Tubman, E Bakajin, O AF Lapidus, Lisa J. Yao, Shuhuai McGarrity, Kimberly S. Hertzog, David E. Tubman, Emily Bakajin, Olgica TI Protein hydrophobic collapse and early folding steps observed in a microfluidic mixer SO BIOPHYSICAL JOURNAL LA English DT Article ID X-RAY-SCATTERING; INTRAMOLECULAR CONTACT FORMATION; EARLY KINETIC INTERMEDIATE; CYTOCHROME-C; STAPHYLOCOCCAL NUCLEASE; DENATURED STATE; BINDING PROTEIN; RIBONUCLEASE-A; PATHWAY; APOMYOGLOBIN AB We demonstrate that the sub-millisecond protein folding process referred to as "collapse'' actually consists of at least two separate processes. We observe the UV fluorescence spectrum from naturally occurring tryptophans in three well-studied proteins, cytochrome c, apomyoglobin, and lysozyme, as a function of time in a micro. uidic mixer with a dead time of similar to 20 mu s. Single value decomposition of the time-dependent spectra reveal two separate processes: 1), a spectral shift which occurs within the mixing time; and 2), a. uorescence decay occurring between; 100 and 300 ms. We attribute the first process to hydrophobic collapse and the second process to the formation of the first native tertiary contacts. C1 Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Lawrence Livermore Natl Lab, Dept Chem & Mat Sci, Livermore, CA 94550 USA. Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RP Lapidus, LJ (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM lapidus@msu.edu RI Bakajin, Olgica/A-9745-2008; Yao, Shuhuai/G-8672-2011; OI Yao, Shuhuai/0000-0001-7059-4092 NR 37 TC 50 Z9 50 U1 2 U2 20 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 2007 VL 93 IS 1 BP 218 EP 224 DI 10.1529/biophysj.106.103077 PG 7 WC Biophysics SC Biophysics GA 176CW UT WOS:000247061500025 PM 17416618 ER PT J AU Mann, DGJ McKnight, TE Melechko, AV Simpson, ML Sayler, GS AF Mann, David G. J. McKnight, Timothy E. Melechko, Anatoli V. Simpson, Michael L. Sayler, Gary S. TI Quantitative analysis of EDC-condensed DNA on vertically aligned carbon nanofiber gene delivery arrays SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE nanofibers; DNA; quantitative PCR; EDC; nanotechnology; impalefection ID RNA-POLYMERASE-II; COVALENT IMMOBILIZATION; STRANDED-DNA; TRANSCRIPTION; BINDING; ELONGATION; EXPRESSION; SURFACES; LENGTH AB Vertically aligned carbon nanofibers (VACNFs) with immobilized DNA have been developed as a novel tool for direct physical introduction and expression of exogenous genes in mammalian cells. Immobilization of DNA base amines to the carboxylic acids on nanofibers can influence the accessibility and transcriptional activity of the DNA template, making it necessary to determine the number of accessible gene copies on nanofiber arrays. Polymerase chain reaction (PCR) and in vitro transcription (IVT) were used to investigate the transcriptional accessibility of DNA tethered to VACNFs by correlating the yields of both IVT and PCR to that of non-tethered, free DNA. Yields of the promoter region and promoter/gene region of bound DNA plasmid were high. Amplification using primers designed to cover 80% of the plasmid failed to yield any product. These results are consistent with tethered, longer DNA sequences having a higher probability of interfering with the activity of DNA and RNA polymerases. Quantitative PCR (qPCR) was used to quantify the number of accessible gene copies tethered to nanofiber arrays. Copy numbers of promoters and reporter genes were quantified and compared to non-tethered DNA controls. In subsequent reactions of the same nanofiber arrays, DNA yields decreased dramatically in the non-tethered control, while the majority of tethered DNA was retained on the arrays. This decrease could be explained by the presence of DNA which is non-tethered to all samples and released during the assay. This investigation shows the applicability of these methods for monitoring DNA immobilization techniques. C1 Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37919 USA. Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. RP Sayler, GS (reprint author), Univ Tennessee, Ctr Environm Biotechnol, 676 Dabney Hall, Knoxville, TN 37919 USA. EM sayler@utk.edu RI Melechko, Anatoli/B-8820-2008; Simpson, Michael/A-8410-2011; McKnight, Tim/H-3087-2011 OI Simpson, Michael/0000-0002-3933-3457; McKnight, Tim/0000-0003-4326-9117 FU NIBIB NIH HHS [1-R21-EB004066, 1-R01-EB006316-01] NR 25 TC 13 Z9 14 U1 1 U2 9 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0006-3592 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD JUL 1 PY 2007 VL 97 IS 4 BP 680 EP 688 DI 10.1002/bit.21287 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 177NC UT WOS:000247158800003 PM 17154308 ER PT J AU Reiss, BD Hanson, DK Firestone, MA AF Reiss, Brian D. Hanson, Deborah K. Firestone, Millicent A. TI Evaluation of the photosynthetic reaction center protein for potential use as a bioelectronic circuit element SO BIOTECHNOLOGY PROGRESS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; ELECTRON-TRANSFER; RHODOBACTER-SPHAEROIDES; SPECTROSCOPY; CONDUCTION; RESOLUTION; COMPLEXES; DEVICES; FILMS AB The characterization of a bioelectronic composite prepared by molecular wiring of a bacteria] photosynthetic reaction center (RC) to a metal (An) electrode is described. Two unique attachment sites on the protein surface were studied as sites for electrical connections-a polyhistidine tag, introduced by site-directed mutagenesis and a native cysteine amino acid residue. These two attachment sites were evaluated independently and found to serve effectively in coupling the protein to the electrode surface asymmetrically. Cyclic voltammetry (CV) was used to monitor protein integrity and confirm protein chemisorption and orientation to the organofunctionalized gold electrode. Single-protein transport measurements made with conductive atomic force microscopy (C-AFM) were used to study the electrical transport. Current-voltage (I-V) curves obtained by wiring the protein at the polyhistidine tag showed diodelike behavior. The cysteine attachment site does not serve as an efficient means to address the protein electrically. Scanning tunneling spectroscopy (STS) performed on RCs coupled at the donor side under both darkand white-light-illuminated conditions confirmed the C-AFM studies. C1 Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Firestone, MA (reprint author), Argonne Natl Lab, Div Sci Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM firestone@anl.gov NR 21 TC 19 Z9 19 U1 0 U2 19 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 2007 VL 23 IS 4 BP 985 EP 989 DI 10.1021/bp070042s PG 5 WC Biotechnology & Applied Microbiology; Food Science & Technology SC Biotechnology & Applied Microbiology; Food Science & Technology GA 199IM UT WOS:000248689400030 PM 17625910 ER PT J AU Gardner, BR Strickland, MJ Correa, A AF Gardner, Bennett R. Strickland, Matthew J. Correa, Adolfo TI Application of the automated spatial surveillance program to birth defects surveillance data SO BIRTH DEFECTS RESEARCH PART A-CLINICAL AND MOLECULAR TERATOLOGY LA English DT Article; Proceedings Paper CT TRACKS 2006 Meeting CY AUG 09-11, 2006 CL Atlanta, GA DE automated spatial surveillance program; geographic information systems; Metropolitan Atlanta Congenital Defects Program; spina bifida; folic acid; spatial-temporal disease monitoring ID NEW-YORK-STATE; METROPOLITAN ATLANTA; GEOCODING METHODS; UNITED-STATES; FOLIC-ACID; FORTIFICATION; ACCURACY; QUALITY; CODE; RISK AB Background: Although many birth defects surveillance programs incorporate georeferenced records into their databases, practical methods for routine spatial surveillance are lacking. We present a macroprogram written for the software package R designed for routine exploratory spatial analysis of birth defects data, the Automated Spatial Surveillance Program (ASSP), and present an application of this program using spina bifida prevalence data for metropolitan Atlanta. Methods: Birth defects surveillance data were collected by the Metropolitan Atlanta Congenital Defects Program. We generated ASSP maps for two groups of years that correspond roughly to the periods before (1994-1998) and after (1999-2002) folic acid fortification of flour. ASSP maps display census tract-specific spina bifida prevalence, smoothed prevalence contours, and locations of statistically elevated prevalence. We used these maps to identify areas of elevated prevalence for spina bifida. Results: We identified a large area of potential concern in the years following fortification of grains and cereals with folic acid. This area overlapped census tracts containing large numbers of Hispanic residents. Conclusions: The potential utility of ASSP for spatial disease monitoring was demonstrated by the identification of areas of high prevalence of spina bifida and may warrant further study and monitoring. We intend to further develop ASSP so that it becomes practical for routine spatial monitoring of birth defects. C1 Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. Battelle Ctr Publ Hlth Res & Evauluat, Atlanta, GA USA. RP Strickland, MJ (reprint author), Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, 1600 Clifton Rd,NE,Mailstop E-86, Atlanta, GA 30333 USA. EM MStrickland@cdc.gov NR 30 TC 7 Z9 7 U1 0 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1542-0752 J9 BIRTH DEFECTS RES A JI Birth Defects Res. Part A-Clin. Mol. Teratol. PD JUL PY 2007 VL 79 IS 7 BP 559 EP 564 DI 10.1002/bdra.20363 PG 6 WC Developmental Biology; Toxicology SC Developmental Biology; Toxicology GA 190RG UT WOS:000248076000006 PM 17385687 ER PT J AU Dixon, DN Izon, DJ Dagger, S Callow, MJ Taplin, RH Kees, UR Greene, WK AF Dixon, Darcelle N. Izon, David J. Dagger, Samantha Callow, Matthew J. Taplin, Ross H. Kees, Ursula R. Greene, Wayne K. TI TLX1/HOX11 transcription factor inhibits differentiation and promotes a non-haemopoietic phenotype in murine bone marrow cells SO BRITISH JOURNAL OF HAEMATOLOGY LA English DT Article DE homeobox; transcription factor; haemopoiesis; cell differentiation; genetic program ID ACUTE LYMPHOBLASTIC-LEUKEMIA; HEMATOPOIETIC PROGENITOR CELLS; C-KIT RECEPTOR; HOMEOBOX GENES; HOX11L2 EXPRESSION; ENDOTHELIAL-CELLS; TRANSGENIC MICE; VEGF-C; PROTEIN; SPLEEN AB The TLX/HOX11 subfamily of divergent homeobox genes are involved in various aspects of embryogenesis and, in the case of TLX1/HOX11 and TLX3/HOX11L2, feature prominently as oncogenes in human T-cell acute lymphoblastic leukaemia. TLX1 possesses immortalising activity in a wide variety of blood cell lineages, however, the effect of this oncogene on haemopoietic cell differentiation has not been fully investigated. We therefore constitutively expressed TLX1 in murine bone marrow or fetal liver cells using retroviral transfer followed by transplantation and/or in vitro culture. TLX1 was found to dramatically alter haemopoiesis, promoting the emergence of a non-haemopoietic CD45(-) CD31(+) cell population while markedly inhibiting erythroid and granulocytic cell differentiation. To identify genetic programs perturbed by TLX1, a comparison of transcript profiles from J2E erythroid cells with and without enforced TLX1 expression was undertaken. This revealed a pattern of gene expression indicative of enhanced proliferation coupled to differentiation arrest. Of the genes identified, two, KIT and VEGFC, were found to be potential TLX1 targets based on transcriptional assays. These results demonstrate that TLX1 can act broadly to impair haemopoiesis and divert differentiation to an alternative fate. This may account for its ability to promote the pre-leukaemic state via perturbation of specific gene expression programs. C1 Murdoch Univ, Div Hlth Sci, Sch Vet & Biomed Sci, Murdoch, WA 6150, Australia. Telethon Inst Child Hlth Res, Div Canc Biol, Perth, WA, Australia. Lawrence Berkeley Natl Lab, Genome Sci Dept, Berkeley, CA USA. Murdoch Univ, Div Sci & Engn, Sch Engn Sci, Perth, WA, Australia. Telethon Inst Child Hlth Res, Div Childrens Leukaemia & Canc Res, Perth, WA, Australia. RP Greene, WK (reprint author), Murdoch Univ, Div Hlth Sci, Sch Vet & Biomed Sci, Murdoch, WA 6150, Australia. EM w.greene@murdoch.edu.au NR 68 TC 9 Z9 9 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0007-1048 J9 BRIT J HAEMATOL JI Br. J. Haematol. PD JUL PY 2007 VL 138 IS 1 BP 54 EP 67 DI 10.1111/j.1365-2141.2007.06626.x PG 14 WC Hematology SC Hematology GA 176UV UT WOS:000247111300005 PM 17555447 ER PT J AU Levinson, R Akbari, H Reilly, JC AF Levinson, Ronnen Akbari, Hashem Reilly, Joseph C. TI Cooler tile-roofed buildings with near-infrared-reflective non-white coatings SO BUILDING AND ENVIRONMENT LA English DT Article DE tile roof; cool coating; near-infrared reflectance; solar reflectance; building simulation; cooling energy; cooling power; California; cool roof; Cooltile IR Coatings (TM) ID SPECTRAL OPTICAL-PROPERTIES; PIGMENTS AB Owners of homes with pitched roofs visible from ground level often prefer non-white rooling products for aesthetic considerations. Non-white, near-infrared-reflective architectural coatings can be applied in situ to pitched concrete or clay tile roofs to reduce tile temperature, building heat gain, and cooling power demand, while simultaneously improving the roof's appearance. Scale-model measurements of building temperature and heat-flux were combined with solar and cooling energy use data to estimate the effects of such cool-roof coatings in various California climates. Under typical conditions-e.g., 1 kW m(-2) summer afternoon insolation, R-11 attic insulation, no radiant barrier, and a 0.3 reduction in solar absorptance-absolute reductions in roof surface temperature, attic air temperature, and ceiling heat-flux are about 12, 6.2 K, and 3.7 W m(-2), respectively. For a typical 1500 ft2 (139 m(2)) house with R-11 attic insulation and no radiant barrier, reducing roof absorptance by 0.3 yields whole-house peak power savings of 230 W in Fresno, 210 W in San Bernardino, and 210W in San Diego. The corresponding absolute and fractional cooling energy savings are 92k Wh yr(-1) (5%), 67 kWh yr(-1) (6%), and 8 kWh yr(-1) (1%), respectively. These savings are about half those previously reported for houses with non-tile roofs. With these assumptions, the statewide peak cooling power and annual cooling energy reductions would be 240 MW and 63 G Whyr(-1), respectively. Statewide energy savings would reduce annual emissions from California power plants by 35kton CO2, 1.1 ton NOx and 0.86 ton SOx. The economic value of cooling energy savings is well below the cost of coating a tile roof, but the simple payback times for using cool pigments in a roof tile coating are modest (5-7 yr) in the warm climates of Fresno and San Bernardino. (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Amer Rooftile Coatings, Fullerton, CA 92835 USA. RP Levinson, R (reprint author), Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 90R2000, Berkeley, CA 94720 USA. EM RMLevinson@LBL.gov; H_Akbari@LBL.gov; jcreilly@adelphia.net NR 21 TC 75 Z9 86 U1 6 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD JUL PY 2007 VL 42 IS 7 BP 2591 EP 2605 DI 10.1016/j.buildenv.2006.06.005 PG 15 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 151MZ UT WOS:000245295900017 ER PT J AU Ghan, SJ Schwartz, SE AF Ghan, Steven J. Schwartz, Stephen E. TI Aerosol properties and processes - A path from field and laboratory measurements to global climate models SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY LA English DT Review ID MIXED MULTIVARIATE AEROSOLS; CLOUD CONDENSATION NUCLEI; FLIGHT MASS-SPECTROMETER; SIZE DISTRIBUTIONS; PARTICLE FORMATION; OPTICAL-PROPERTIES; QUADRATURE METHOD; SULFURIC-ACID; UNITED-STATES; RAMAN-LIDAR AB Aerosol particles in the lower atmosphere exert a substantial influence on climate and climate change through a variety of complex mechanisms. Consequently, there is a need to represent these influences in global climate models, and models have begun to include representations of these influences. However, the present treatment of aerosols in global climate models is highly simplified, omitting many processes and feedbacks that are thought to be climatically important. Thus, there is need for substantial improvement. Here we describe the strategy of the U.S. Department of Energy for improving representation of the properties, processes, and effects of tropospheric aerosols in global climate models. The strategy begins with a foundation of field and laboratory measurements that provide the basis for modules describing specific aerosol properties and processes. These modules are then integrated into regional aerosol models, which are evaluated by comparison with field measurements. Issues of scale are then addressed so that the modules can be applied to global aerosol models, which are evaluated by comparison with satellite retrievals and other observations. Finally, the validated set of modules is applied in global climate models for multicentury simulations. This strategy is expected to be applied to successive generations of global climate models. C1 Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Ghan, SJ (reprint author), Pacific NW Natl Lab, Climate Phys Grp, Richland, WA 99352 USA. EM steve.ghan@pnl.gov RI Schwartz, Stephen/C-2729-2008; Ghan, Steven/H-4301-2011 OI Schwartz, Stephen/0000-0001-6288-310X; Ghan, Steven/0000-0001-8355-8699 NR 153 TC 118 Z9 122 U1 2 U2 34 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0003-0007 EI 1520-0477 J9 B AM METEOROL SOC JI Bull. Amer. Meteorol. Soc. PD JUL PY 2007 VL 88 IS 7 BP 1059 EP + DI 10.1175/BAMS-88-7-1059 PG 26 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 197OQ UT WOS:000248565600019 ER PT J AU Vergino, ES AF Vergino, Eileen S. TI Science as diplomacy SO BULLETIN OF THE ATOMIC SCIENTISTS LA English DT Editorial Material C1 Nautilus Inst Secur & Sustainabil, San Francisco, CA USA. Lawrence Livermore Natl Lab, Ctr Global Secur Res, Livermore, CA USA. RP Vergino, ES (reprint author), Nautilus Inst Secur & Sustainabil, San Francisco, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU EDUC FOUNDATION NUCLEAR SCI PI CHICAGO PA 6042 SOUTH KIMBARK, CHICAGO, IL 60637 USA SN 0096-3402 J9 B ATOM SCI JI Bull. Atom. Scient. PD JUL-AUG PY 2007 VL 63 IS 4 BP 22 EP 23 PG 2 WC International Relations; Social Issues SC International Relations; Social Issues GA 185KS UT WOS:000247710500022 ER PT J AU Drell, SD AF Drell, Sidney D. TI A reliable path to disarmament SO BULLETIN OF THE ATOMIC SCIENTISTS LA English DT Editorial Material C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. RP Drell, SD (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU EDUC FOUNDATION NUCLEAR SCI PI CHICAGO PA 6042 SOUTH KIMBARK, CHICAGO, IL 60637 USA SN 0096-3402 J9 B ATOM SCI JI Bull. Atom. Scient. PD JUL-AUG PY 2007 VL 63 IS 4 BP 48 EP 49 DI 10.2968/063004018 PG 2 WC International Relations; Social Issues SC International Relations; Social Issues GA 185KS UT WOS:000247710500034 ER PT J AU Goering, J Kadossov, E Burghaus, U Yu, ZQ Thevuthasan, S Saraf, LV AF Goering, J. Kadossov, E. Burghaus, U. Yu, Z. Q. Thevuthasan, S. Saraf, L. V. TI Adsorption of iso-/n-butane on an anatase thin film: a molecular beam scattering and TDS study SO CATALYSIS LETTERS LA English DT Article DE gas surface interactions; adsorption dynamics; molecular beam scattering; adsorption kinetics; thermal desorption spectroscopy; alkanes; anatase thin film ID MONTE-CARLO SIMULATION; N-BUTANE; DESORPTION-KINETICS; TIO2 ANATASE; SURFACE; PT(111); DYNAMICS; ALKANES; CO2; CHEMISORPTION AB Binding energies and adsorption probabilities have been determined for n/iso-butane adsorption on an anatase thin film grown on SrTiO3(001) by means of thermal desorption spectroscopy (TDS) and molecular beam scattering. The sample has been characterized by X-ray diffraction (XRD) and Auger electrons spectroscopy (AES). C1 N Dakota State Univ, Dept Chem, Fargo, ND 58105 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Nanjing Normal Univ, Dept Chem, Nanjing, Peoples R China. RP Burghaus, U (reprint author), N Dakota State Univ, Dept Chem, Fargo, ND 58105 USA. EM uwe.burghaus@ndsu.edu NR 38 TC 9 Z9 9 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD JUL PY 2007 VL 116 IS 1-2 BP 9 EP 14 DI 10.1007/s10562-007-9121-x PG 6 WC Chemistry, Physical SC Chemistry GA 188PR UT WOS:000247932300002 ER PT J AU Jiradilok, V Gidaspow, D Breault, RW AF Jiradilok, Veeraya Gidaspow, Dimitri Breault, Ronald W. TI Computation of gas and solid dispersion coefficients in turbulent risers and bubbling beds SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE fluidization; gas-particle flow; computational fluid dynamics; Reynolds stresses ID CIRCULATING FLUIDIZED-BED; HYDRODYNAMICS; PARTICLE; VELOCITY; PRESSURE; STRESSES; BEHAVIOR AB A literature review shows that dispersion coefficients in fluidized beds differ by more than five orders of magnitude. To understand the phenomena, two types of hydrodynamics models that compute turbulent and bubbling behavior were used to estimate radial and axial gas and solid dispersion coefficients. The autocorrelation technique was used to compute the dispersion coefficients from the respective computed turbulent gas and particle velocities. The computations show that the gas and the solid dispersion coefficients are close to each other in agreement with measurements. The simulations show that the radial dispersion coefficients in the riser are two to three orders of magnitude lower than the axial dispersion coefficients, but less than an order of magnitude lower for the bubbling bed at atmospheric pressure. The dispersion coefficients for the bubbling bed at 25 atm are much higher than at atmospheric pressure due to the high bed expansion with smaller bubbles. The computed dispersion coefficients are in reasonable agreement with the experimental measurements reported over the last half century. (c) 2007 Elsevier Ltd. All rights reserved. C1 IIT, Dept Chem Engn, Chicago, IL 60616 USA. US DOE, Morgantown, WV USA. RP Gidaspow, D (reprint author), IIT, Dept Chem Engn, 10 W 33rd St, Chicago, IL 60616 USA. EM gidaspow@iit.edu OI Breault, Ronald/0000-0002-5552-4050 NR 46 TC 43 Z9 45 U1 0 U2 18 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 2007 VL 62 IS 13 BP 3397 EP 3409 DI 10.1016/j.ces.2007.01.084 PG 13 WC Engineering, Chemical SC Engineering GA 186HH UT WOS:000247769200009 ER PT J AU Liu, W AF Liu, Wei TI Multi-scale catalyst design SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE multi-scale; multi-dimension; nano-scale; catalyst design; 3-D model; interface; composite; ceria; copper; gold; membrane; micro-reactor; structured catalyst ID OXIDE COMPOSITE CATALYSTS; CARBON-MONOXIDE; TOTAL OXIDATION; METHANE; IMPACT; BED; CO AB Catalyst design has long been sought in catalysis and reaction engineering research. In this work, multi-scale analysis and strategy is explored to take a holistic view toward catalyst design perspective and elucidate impacts of designs at different scales to a catalytic reaction process performance. A few promising design concepts are introduced to break the compromise that often needs to be made in the conventional design approach. In the catalyst bed scale, micro- or mini-structured catalyst designs can be used to potentially eliminate all mass transfer resistance and realize intrinsic catalytic performance. At the particle level, incorporation of membrane separation functions into the catalyst unit enables regulation of mass transfer rate of individual reactant or product molecules that high reaction selectivity is achieved. At the level of intrinsic catalyst structures, three-dimensional (3-D) catalyst design models are outlined here to outweigh limitations or constraints imposed by the conventional way of thinking 2-D catalyst surface. Examples of exceptional catalytic activity or concerted effects are shown by incorporating different materials into nano-composite catalysts and optimizing size and/or shape of a catalyst material at the nano-scale. (c) 2007 Elsevier Ltd. All rights reserved. C1 Corning Inc, Div Sci & Technol, Corning, NY 14831 USA. RP Liu, W (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM weiliu2476@yahoo.com NR 34 TC 15 Z9 15 U1 1 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 2007 VL 62 IS 13 BP 3502 EP 3512 DI 10.1016/j.ces.2007.02.057 PG 11 WC Engineering, Chemical SC Engineering GA 186HH UT WOS:000247769200018 ER PT J AU Xu, ZL Glimm, J Zhang, YM Liu, XF AF Xu, Zhiliang Glimm, James Zhang, Yongmin Liu, Xinfeng TI A multiscale front tracking method for compressible free surface flows SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE front tracking; phase transition; compressible flow; turbulent mixing ID TAYLOR MIXING RATES; RAYLEIGH-TAYLOR; 2-PHASE FLOW; LIQUID JET; MODEL; INSTABILITY; SIMULATION; DEPENDENCE; STEADY AB We present an overview of multiscale computations for free surface flows based on the front tracking method. Our approach combines theory, numerical algorithm development, simulation-based scientific studies, and the analysis of experimental data. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Notre Dame, Dept Math, Notre Dame, IN 46556 USA. SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Xu, ZL (reprint author), Univ Notre Dame, Dept Math, Notre Dame, IN 46556 USA. EM zxu2@nd.edu RI Xu, Zhiliang/O-1718-2014 NR 60 TC 3 Z9 3 U1 1 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 EI 1873-4405 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD JUL PY 2007 VL 62 IS 13 BP 3538 EP 3548 DI 10.1016/j.ces.2007.03.026 PG 11 WC Engineering, Chemical SC Engineering GA 186HH UT WOS:000247769200021 ER PT J AU Chen, X Mao, SS AF Chen, Xiaobo Mao, Samuel S. TI Titanium dioxide nanomaterials: Synthesis, properties, modifications, and applications SO CHEMICAL REVIEWS LA English DT Review ID SENSITIZED SOLAR-CELLS; TIO2 THIN-FILMS; VISIBLE-LIGHT IRRADIATION; NITROGEN-DOPED TIO2; INTERFACIAL ELECTRON-TRANSFER; X-RAY-ABSORPTION; ENHANCED PHOTOCATALYTIC ACTIVITY; CHEMICAL-VAPOR-DEPOSITION; LOW-TEMPERATURE SYNTHESIS; INDUCED CHARGE SEPARATION C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Chen, X (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM XChen3@lbl.gov; SSMao@lbl.gov RI Lai, Zhuangchai/D-4689-2009 OI Lai, Zhuangchai/0000-0002-8010-3864 NR 961 TC 5251 Z9 5459 U1 591 U2 4013 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD JUL PY 2007 VL 107 IS 7 BP 2891 EP 2959 DI 10.1021/cr0500535 PG 69 WC Chemistry, Multidisciplinary SC Chemistry GA 188NM UT WOS:000247926600003 PM 17590053 ER PT J AU Bowerman, WW Bryan, AL Robinette, JR Wing, JM Wiley, FE Murugasan, S AF Bowerman, William W. Bryan, A. Lawrence, Jr. Robinette, John R. Wing, Jennifer M. Wiley, Faith E. Murugasan, Sundaravelayutham TI Concentrations of p,p'-DDE in plasma of nestling Wood Storks from Georgia SO CHEMOSPHERE LA English DT Article DE wood stork; DDE; Mycteria americana; nestlings ID EAST-CENTRAL GEORGIA; MYCTERIA-AMERICANA; REPRODUCTIVE SUCCESS; ORGANOCHLORINE RESIDUES; MERCURY CONCENTRATIONS; FORAGING ECOLOGY; COASTAL GEORGIA; EGGS; CONTAMINATION; FLORIDA AB We determined the concentrations of organochlorine pesticides and total PCBs in plasma of nestling Wood Storks (Mycteria americana) from two colonies in Georgia in 2000. Of 20 compounds analyzed for, only p,p'-DDE was quantified in reportable concentrations, ranging from <2.0-174.0 ng/g wet weight (ww). Concentrations of p,p'-DDE were significantly greater (P < 0.0001) in plasma of nestlings from an inland colony, Chew Mill ((-)x 16.9 ng/g, ww) than a coastal colony, Harris Neck ((-)x 1.2 ng/g, ww). Concentrations from nestlings from Chew Mill were significantly different among sampling weeks (P = 0.01), with week 8 being significantly greater than weeks 1, 2, and 5. While the Chew Mill colony had much greater concentrations of p,p'-DDE in plasma of nestlings than the Harris Neck colony, reproduction was greater there (1.8 +/- 1.0 SD fledged young per nesting attempt) than Harris Neck (1.4 +/- 1.0 SD fledged young per nesting attempt). While concentrations of p,p'-DDE determined in plasma of nestling Wood Storks are an indirect measure of adult exposure to environmental toxicants, concentrations reported would not be considered detrimental to reproduction in these colonies. (C) 2007 Elsevier Ltd. All rights reserved. C1 Clemson Univ, Dept Forestry & Nat Resources, Clemson, SC 29634 USA. Savannah River Ecol Lab, Aiken, SC 29802 USA. US Fish & Wildlife Serv Savannah Coastal Refuges, Savannah, GA 31405 USA. Tamilnadu Vet & Anim Sci Univ, Dept Anim Husb, Madras, Tamil Nadu, India. RP Bowerman, WW (reprint author), Clemson Univ, Dept Forestry & Nat Resources, 261 Lehotsky Hall, Clemson, SC 29634 USA. EM wbowerm@clemson.edu NR 32 TC 1 Z9 1 U1 0 U2 1 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 2007 VL 68 IS 8 BP 1506 EP 1510 DI 10.1016/j.chemosphere.2007.03.017 PG 5 WC Environmental Sciences SC Environmental Sciences & Ecology GA 190RM UT WOS:000248076700014 PM 17462700 ER PT J AU Yazdy, MM Honein, MA Rasmussen, SA Frias, JL AF Yazdy, Mahsa M. Honein, Margaret A. Rasmussen, Sonja A. Frias, Jaime L. TI Priorities for future public health research in orofacial clefts SO CLEFT PALATE-CRANIOFACIAL JOURNAL LA English DT Article; Proceedings Paper CT Meeting on Prioritizing a Research Agenda for Orofacial Clefts CY JAN 23-24, 2006 CL Atlanta, GA DE orofacial clefts; public health; research priorities ID NONSYNDROMIC ORAL CLEFTS; QUALITY-OF-LIFE; AMBIENT AIR-POLLUTION; BIRTH-DEFECTS; CONGENITAL-MALFORMATIONS; SOCIOECONOMIC-STATUS; MATERNAL OBESITY; ALCOHOL-USE; RISK; CHILDREN AB The National Center on Birth Defects and Developmental Disabilities at the Centers for Disease Control and Prevention conducted a workshop in January 2006, entitled "Prioritizing a Research Agenda for Orofacial Clefts." The goals of the meeting were to review existing research on orofacial clefts (OFCs), identify gaps in knowledge that need additional public health research, and develop a prioritized research agenda that can help guide future public health research. Experts in the field of epidemiology, public health, genetics, psychology, speech pathology, dentistry, and health economics participated to create the research agenda. Research gaps identified by the participants for additional public health research included: the roles of maternal nutrition, obesity, and diabetes in the etiology of OFCs; psychosocial outcomes for children with OFCs; the quality of life for families and children with OFCs; and the health care costs of OFCs. To create the research agenda, the participants prioritized the research gaps by public health importance, feasibility, and outcomes of interest. This report summarizes the workshop. C1 Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, Atlanta, GA 30333 USA. Mcking Consulting Corp, Atlanta, GA USA. Oak Ridge Inst Sci & Educ, Fellowship Program, Oak Ridge, TN USA. RP Yazdy, MM (reprint author), Ctr Dis Control & Prevent, Natl Ctr Birth Defects & Dev Disabil, 1600 Clifton Rd,NE,Mailstop E86, Atlanta, GA 30333 USA. EM MYazdy@cdc.gov OI Rasmussen, Sonja/0000-0002-0574-4928; Yazdy, Mahsa/0000-0002-7415-5350 NR 58 TC 46 Z9 48 U1 0 U2 5 PU ALLIANCE COMMUNICATIONS GROUP DIVISION ALLEN PRESS PI LAWRENCE PA 810 EAST 10TH STREET, LAWRENCE, KS 66044 USA SN 1055-6656 J9 CLEFT PALATE-CRAN J JI Cleft Palate-Craniofac. J. PD JUL PY 2007 VL 44 IS 4 BP 351 EP 357 DI 10.1597/06-233.1 PG 7 WC Dentistry, Oral Surgery & Medicine; Surgery SC Dentistry, Oral Surgery & Medicine; Surgery GA 193SR UT WOS:000248295300001 PM 17608558 ER PT J AU Kilbourne, KH Quinn, TM Guilderson, TP Webb, RS Taylor, FW AF Halimeda Kilbourne, K. Quinn, Terrence M. Guilderson, Thomas P. Webb, Robert S. Taylor, Frederick W. TI Decadal- to interannual-scale source water variations in the Caribbean Sea recorded by Puerto Rican coral radiocarbon SO CLIMATE DYNAMICS LA English DT Article ID BRAZIL CURRENT RETROFLECTION; TROPICAL ATLANTIC-OCEAN; BOMB RADIOCARBON; NORTH-ATLANTIC; SURFACE CIRCULATION; BANDED CORALS; VARIABILITY; PACIFIC; CLIMATE; EDDIES AB Water that forms the Florida Current, and eventually the Gulf Stream, coalesces in the Caribbean from both subtropical and equatorial sources. The equatorial sources are made up of, in part, South Atlantic water moving northward and compensating for southward flow at depth related to meridional overturning circulation. Subtropical surface water contains relatively high amounts of radiocarbon ((14)C), whereas equatorial waters are influenced by the upwelling of low (14)C water and have relatively low concentrations of (14)C. We use a 250 year record of Delta(14)C in a coral from southwestern Puerto Rico along with previously published coral Delta(14)C records as tracers of subtropical and equatorial water mixing in the northern Caribbean. Data generated in this study and from other studies indicate that the influence of either of the two water masses can change considerably on interannual to interdecadal time scales. Variability due to ocean dynamics in this region is large relative to variability caused by atmospheric (14)C changes, thus masking the Suess effect at this site. A mixing model produced using coral Delta(14)C illustrates the time varying proportion of equatorial versus subtropical waters in the northern Caribbean between 1963 and 1983. The results of the model are consistent with linkages between multidecadal thermal variability in the North Atlantic and meridional overturning circulation. Ekman transport changes related to tradewind variability are proposed as a possible mechanism to explain the observed switches between relatively low and high Delta(14)C values in the coral radiocarbon records. C1 NOAA, Earth Syst Res Lab, R PSDI, Boulder, CO 80305 USA. Univ S Florida, Coll Marine Sci, St Petersburg, FL 33707 USA. Univ Texas, Inst Geophys, John A & Katherine G Jackson Sch Geosci, Austin, TX 78759 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. Univ Calif Santa Cruz, Inst Marine Sci, Santa Cruz, CA 95064 USA. RP Kilbourne, KH (reprint author), NOAA, Earth Syst Res Lab, R PSDI, 325 Broadway, Boulder, CO 80305 USA. EM hali.kilbourne@noaa.gov RI Quinn, Terrence/A-5755-2008; Taylor, Frederick/A-2195-2009; Kilbourne, Kelly /D-6560-2012 OI Kilbourne, Kelly /0000-0001-7864-8438 NR 51 TC 23 Z9 23 U1 0 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0930-7575 J9 CLIM DYNAM JI Clim. Dyn. PD JUL PY 2007 VL 29 IS 1 BP 51 EP 62 DI 10.1007/s00382-007-0224-2 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 168JL UT WOS:000246520800004 ER PT J AU Gomes-Solecki, MJC Meirelles, L Glass, J Dattwyler, RJ AF Gomes-Solecki, Maria J. C. Meirelles, Luciana Glass, John Dattwyler, Raymond J. TI Epitope length, genospecies dependency, and serum panel effect in the IR6 enzyme-linked immunosorbent assay for detection of antibodies to Borrelia burgdorferi SO CLINICAL AND VACCINE IMMUNOLOGY LA English DT Article ID IMMUNODOMINANT CONSERVED REGION; VARIABLE SURFACE-ANTIGEN; C6 PEPTIDE ELISA; LYME-DISEASE; IGG ANTIBODIES; VLSE; SERODIAGNOSIS; DIAGNOSIS AB In the absence of erythema migrans, the basis for diagnosis of Lyme disease is the demonstration of an antibody response against Borrelia burgdorferi in an appropriate clinical setting. The C6 enzyme-linked immunosorbent assay, based on the IR6 region of VISE, has become widely used in both the United States and Europe. We mapped the antigenic epitopes of IR6 to a shorter sequence that is equivalent in sensitivity and specificity to the full-length IR6 25-residue peptide. In addition, we observed significant differences in sensitivity between serum panels (60 to 100%), indicating that the selection of the serum panels can shape the apparent overall sensitivity of the assay. Contrary to prior reports, the assay sensitivity is greater when the IR6 peptide is derived from the sequence of the same infecting Borrelia genospecies. Using our North American panels and the two panels obtained from European Lyme disease patients, we determined that the IR6 assay that is based on a single genospecies of Borrelia spp. is not optimal for use as a universal diagnostic assay for Lyme disease. C1 New York Med Coll, Valhalla, NY 10595 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Biopeptides Corp, Valhalla, NY 10595 USA. RP Dattwyler, RJ (reprint author), New York Med Coll, BSB Room 308, Valhalla, NY 10595 USA. EM raymond_dattwyler@nymc.edu OI Dattwyler, Raymond/0000-0002-1983-1301 FU NIAID NIH HHS [R01 AI055652, R01AI055652, R44 AI058364, R44AI058364] NR 18 TC 13 Z9 14 U1 0 U2 0 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 1556-6811 J9 CLIN VACCINE IMMUNOL JI Clin. Vaccine Immunol. PD JUL PY 2007 VL 14 IS 7 BP 875 EP 879 DI 10.1128/CVI.00122-07 PG 5 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 190QU UT WOS:000248074800009 PM 17538122 ER PT J AU Achyuthan, KE Whitten, DG AF Achyuthan, Komandoor E. Whitten, David G. TI Design considerations for high throughput screening and in vitro diagnostic assays SO COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING LA English DT Article DE assay development; statistical tools; high throughput screening (HTS); in vitro diagnostics (IVD); quality control(QC); disease prevalence; six sigma; receiver operating characteristic curve (ROC); shelf-life/stability ID TOOL; LIMITS AB This paper reviews the several different factors that must be considered during the development of assays for high throughput screening (HTS) or in vitro diagnostic (IVD) applications. The reader is introduced to the terminology used in assay development as well as the statistical approaches for evaluating the data. The review is intended to serve as a tutorial to biotechnology, pharmaceutical and clinical professionals, the academic researcher, as well as a guide for established investigators of FITS and IVD. This review is not a comprehensive treatise in its scope or content, but is meant to introduce the reader to key concepts of assay development. Elementary mathematical and statistical tools for designing robust assays and data management are described. While certain design concepts overlap HTS and IVDs, others are more pertinent to one or the other topic. An overview of the regulatory requirements for IVDs is included in the context of the United States Food and Drug Administration. Quality concepts and high content screening are also briefly described. The review does not focus upon any particular assay technology nor does it provide detailed laboratory procedures on specific assays. The references cited are not exhaustive, but meant to steer the reader toward a general status report of the various technologies discussed. The information presented in this review is not intended to replace the judgment of the experienced laboratory scientist. However, this review should assist the scientific professional in executing well designed assays and being aware of design considerations. C1 Sandia Natl Labs, Biosensors & Nanomat Dept, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RP Achyuthan, KE (reprint author), Sandia Natl Labs, Biosensors & Nanomat Dept, POB 5800,MS 1425, Albuquerque, NM 87185 USA. EM kachyut@sandia.gov; whitten@unm.edu NR 45 TC 16 Z9 16 U1 0 U2 5 PU BENTHAM SCIENCE PUBL LTD PI SHARJAH PA EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES SN 1386-2073 J9 COMB CHEM HIGH T SCR JI Comb. Chem. High Throughput Screen PD JUL PY 2007 VL 10 IS 6 BP 399 EP 412 DI 10.2174/138620707781996475 PG 14 WC Biochemical Research Methods; Chemistry, Applied; Pharmacology & Pharmacy SC Biochemistry & Molecular Biology; Chemistry; Pharmacology & Pharmacy GA 226EO UT WOS:000250570500002 PM 17896936 ER PT J AU Garces, JE Bozzolo, G Hofman, G Rest, J AF Garces, Jorge E. Bozzolo, Guillermo Hofman, Gerard Rest, Jeffrey TI Modeling of multicomponent systems: Role of Mo and Si on the interaction of Al and gamma-UMo SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE uranium; molybdenum; aluminum; silicon; semiempirical methods; modeling; low enrichment fuels ID IRRADIATION BEHAVIOR; DISPERSION FUEL; LOW-TEMPERATURE; ALUMINUM; ALLOY; DIAGRAM; PHASE AB Experimental work based on the analysis of Al/UMo diffusion couples contemplates the addition of other elements for dealing with the known problem of Al diffusion in the gamma-UMo solid solution. In this work, we apply an atomistic modeling tool to gain understanding on the interactions that lead to this behavior, and therefore establish a framework for studying the role of additives via their interaction with Al, U, and Mo. As a first step to do this, we examine the interaction of a thin Al film on a gamma-UMo substrate. It is found that the model reproduces and provides an explanation for the trends observed experimentally, leading to the conclusion that it might be possible to describe the complex problem of the interaction between several elements in a rather simple and straightforward modeling framework. (c) 2006 Elsevier B.V. All rights reserved. C1 Ohio Aerosp Inst, Cleveland, OH 44142 USA. Ctr Atom Bariloche, CNEA, RA-8400 San Carlos De Bariloche, Rio Negro, Argentina. NASA, Glenn Res Ctr, Cleveland, OH 44135 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Bozzolo, G (reprint author), Ohio Aerosp Inst, 22800 Cedar Point Rd, Cleveland, OH 44142 USA. EM GuillermoBozzolo@oai.org NR 15 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD JUL PY 2007 VL 40 IS 1 BP 6 EP 19 DI 10.1016/j.commatsci.2006.10.017 PG 14 WC Materials Science, Multidisciplinary SC Materials Science GA 186JB UT WOS:000247773900002 ER PT J AU Sfiligoi, I AF Sfiligoi, Igor TI CDF computing SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article; Proceedings Paper CT Conference on Computational Physics (CCP 2006) CY AUG 29-SEP 01, 2006 CL Gyeongju, SOUTH KOREA DE CDF; computing; grid; glideins; WMS AB The Collider Detector at Fermilab (CDF) is a detector on the Tevatron, currently the world's highest energy particle collider. Since the start of Run II in 2001, more than 1.4 fb(-1) of physics data have been collected, resulting in 600 TBytes of raw data. To analyze all that data, CDF has deployed an efficient distributed computing system that serves both production needs and user analysis. This paper gives both an overview and a detailed description of the most prominent pieces. (C) 2007 Elsevier B.V. All rights reserved. C1 Ist Nazl Fis Nucl, I-00044 Frascati, Italy. Fermilab Natl Accelerator Lab, Batavia, IL USA. RP Sfiligoi, I (reprint author), Ist Nazl Fis Nucl, POB 13, I-00044 Frascati, Italy. EM sfiligoi@fnal.gov NR 8 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JUL PY 2007 VL 177 IS 1-2 BP 235 EP 238 DI 10.1016/j.cpc.2007.02.055 PG 4 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 191WC UT WOS:000248161700092 ER PT J AU Kurzak, J Dongarra, J AF Kurzak, Jakub Dongarra, Jack TI Implementation of mixed precision in solving systems of linear equations on the cell processor SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article DE LINPACK; HPL; cell broadband engine; iterative refinement; mixed-precision algorithms AB This paper describes the design concepts behind implementations of mixed-precision linear algebra routines targeted for the Cell processor. It describes in detail the implementation of code to solve linear system of equations using Gaussian elimination in single precision with iterative refinement of the solution to the full double-precision accuracy. By utilizing this approach the algorithm achieves close to an order of magnitude higher performance on the Cell processor than the performance offered by the standard double-precision algorithm. The code is effectively an implementation of the high-performance LINPACK benchmark, as it meets all of the requirements concerning the problem being solved and the numerical properties of the solution. Copyright (c) 2007 John Wiley & Sons, Ltd. C1 Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Dongarra, J (reprint author), Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. EM dongarra@cs.utk.edu RI Dongarra, Jack/E-3987-2014 NR 26 TC 26 Z9 27 U1 0 U2 1 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD JUL PY 2007 VL 19 IS 10 BP 1371 EP 1385 DI 10.1002/cpe.1164 PG 15 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 185HA UT WOS:000247700800001 ER PT J AU Park, H Krigsfeld, G Teat, SJ Parise, JB AF Park, Hyunsoo Krigsfeld, Gabriel Teat, Simon J. Parise, John B. TI Synthesis and structural determination of four novel metal-organic frameworks in a Zn-3-amino-1,2,4-triazole system SO CRYSTAL GROWTH & DESIGN LA English DT Article ID HYDROTHERMAL SYNTHESIS; COORDINATION POLYMER; HYDROGEN STORAGE; IN-SITU; X-RAY; CHEMISTRY; DESIGN; ARCHITECTURES; DIFFRACTION; SOLIDS AB Four new coordination polymer compounds have been prepared using 3-amino-1,2,4-triazole (AmTRZ) as an organic linker, namely, ZnCl(AmTRZ) (1), Zn(HCO(2))(AmTRZ) (2), Zn(5)(OH)(2)(AmTRZ)(6)(NO(3))(2)center dot 6H(2)O (3), and Zn(5)(OH)(AmTRZH)(AmTRZ)(6)(HCO(2))(3)center dot 5H(2)O (4). They were synthesized under mild hydro- or solvothermal conditions using water or dimethylformamide as solvent. Their crystal structures were characterized by single-crystal X-ray diffraction techniques, and thermal properties of all compounds were examined by thermogravimetric analysis. Isostructural compounds 1 and 2 (Pbca, a = 9.389(1) angstrom, b = 10.115(1) A, c = 11.571(2) A, V = 1098.9(3) angstrom(3), Z = 8 for 1 and a = 9.198(1) angstrom, b = 10.341(1) angstrom, c = 12.577(2) angstrom, V = 1196.2(3) angstrom, Z = 8 for 2) display a two-dimensional layer structure where Zn centers are linked by AmTRZ molecules to form gridlike layers containing eight-membered rings. Structure 3 (Pa (3) over bar, a = 15.0448(6) angstrom, V = 3405.3(2) angstrom(3), Z = 4) is a dense three-dimensional framework, featuring seven-membered channels where water and nitrate anions are located. Structure 4 (I4/m, a = 19.2576(9) angstrom, c = 20.286(2) angstrom, V = 7523.2(9) angstrom(3), Z = 8) is built from porous Zn-AmTRZ layers containing 12- and 8-membered rings, which are connected to each other by dinuclear Zn tetrahedra building units. Water and formate anions occupy the void inside the framework. C1 SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. SUNY Stony Brook, Ctr Environm Mol Sci, Stony Brook, NY 11794 USA. Pace Univ, Dept Chem, New York, NY 10038 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. RP Parise, JB (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. EM jparise@notes.cc.sunysb.edu NR 39 TC 39 Z9 40 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD JUL PY 2007 VL 7 IS 7 BP 1343 EP 1349 DI 10.1021/cg070295t PG 7 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 184YH UT WOS:000247678000020 ER PT J AU Chan, JW Winhold, H Corzett, MH Ulloa, JM Cosman, M Balhorn, R Huser, T AF Chan, James W. Winhold, Heiko Corzett, Michele H. Ulloa, Joshua M. Cosman, Monique Balhorn, Rod Huser, Thomas TI Monitoring dynamic protein expression in living E-coli. Bacterial Celts by laser tweezers raman spectroscopy SO CYTOMETRY PART A LA English DT Article DE raman spectroscopy; optical tweezers; laser trapping; protein expression; glycoprotein; E. coli; single cells ID REAL-TIME DETECTION; OPTICAL TWEEZERS; AQUEOUS-SOLUTION; CELLS; IDENTIFICATION; MICROSPECTROSCOPY; MICROORGANISMS; SPORES AB Background: Laser tweezers Raman spectroscopy (LTRS) is a novel, nondestructive, and label-free method that can be used to quantitatively measure changes in cellular activity in single living cells. Here, we demonstrate its use to monitor changes in a population of E coli cells that occur during overexpression of a protein, the extracellular domain of myelin oligodendrocyte glycoprotein [MOG(1-120)]. Methods: Raman spectra were acquired from individual E coli cells suspended in solution and trapped by a single tightly focused laser beam. Overexpression of MOG(I-120) in transformed E coli Rosetta-Gami (DE3)pLysS cells was induced by addition of isopropyl thiogalactoside (IPTG). Changes in the peak intensities of the Raman spectra from a population of cells were monitored and analyzed over a total duration of 3 h. Data were also collected for concentrated purified MOG(1-120) protein in solution, and the spectra compared with that obtained for the MOG(I-120) expressing cells. Results: Raman spectra of individual, living E coli cells exhibit signatures due to DNA and protein molecular vibrations. Characteristic Raman markers associated with protein vibrations, such as 1,257, 1,340, 1,453, and 1,660 cm(-1), are shown to increase as a function of time following the addition of IPTG. Comparison of these spectra and the spectra of purified MOG protein indicates that the changes are predominantly due to the induction of MOG protein expression. Protein expression was found to occur mostly within the second hour, with a 470% increase relative to the protein expressed in the first hour. A 230% relative increase between the second and third hour indicates that protein expression begins to level off within the third hour. Conclusion: It is demonstrated that LTRS has sufficient sensitivity for real-time, nondestructive, and quantitative monitoring of biological processes, such as protein expression, in single living cells. Such capabilities, which are not: currently available in flow cytometry, open up new possibilities for analyzing cellular processes occurring in single microbial and eukaryotic cells, Published 2007 Wiley-Liss, Inc. C1 Lawrence Livermore Natl Lab, Appl Phys & Biophys Div, Phys & Adv Technol Directorate, Livermore, CA 94551 USA. Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94551 USA. Univ Calif Davis, Sch Med, Dept Internal Med, Davis, CA USA. Univ Calif Davis, NSF Ctr Biophoton Sci & Technol, Sacramento, CA USA. RP Chan, JW (reprint author), Lawrence Livermore Natl Lab, Appl Phys & Biophys Div, Phys & Adv Technol Directorate, POB 808, Livermore, CA 94551 USA. EM chanl9@llnl.gov RI Huser, Thomas/H-1195-2012; Chan, James/J-3829-2014 OI Huser, Thomas/0000-0003-2348-7416; NR 16 TC 40 Z9 44 U1 0 U2 18 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4922 J9 CYTOM PART A JI Cytom. Part A PD JUL PY 2007 VL 71A IS 7 BP 468 EP 474 DI 10.1002/cyto.a.20407 PG 7 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 185HN UT WOS:000247702100004 PM 17458881 ER PT J AU Gu, WW Etkin, LD Le Gros, MA Larabell, CA AF Gu, Weiwei Etkin, Laurence D. Le Gros, Mark A. Larabell, Carolyn A. TI X-ray tomography of Schizosaccharomyces pombe SO DIFFERENTIATION LA English DT Article DE soft X-ray microscopy; fission yeast; cell division; cytokinesis ID FISSION YEAST; SPATIAL-RESOLUTION; SEPTUM FORMATION; CYTOKINESIS; MICROSCOPY; GROWTH; CELLS AB The genetic tractability of the unicellular yeast Schizosaccharomyces pombe has resulted in it becoming an important model organism for the study of many eukaryotic cellular processes, in particular cell division. Over the past few years much progress has been made toward understanding the mechanisms that regulate eukaryotic cell division and the cellular changes that occur-for example, the formation of the cytokinetic contractile ring. However, a full understanding requires both identification of the proteins involved and correlation of this information with images showing the location of molecules in context of the cell architecture. Electron microscopic analyses have revealed exquisite ultrastructural images of cell structure, but this technique typically requires extensive processing-procedures that are labor intensive and time consuming. Imaging techniques that can more rapidly obtain better resolution than light microscopy are needed to advance the use of this model system for precise molecular localization analyses. In this manuscript, we examined S. pombe using soft X-ray tomography, an imaging technique that generates three-dimensional (3-D) images of intact hydrated cells at better than 50 nm isotropic resolution. This technique uses X-rays in the "water window," where organic material absorbs approximately an order of magnitude more strongly than water, producing high-contrast images of cellular structures. As cells are examined in the absence of any chemical fixatives, stains, or contrast enhancement reagents, the images reflect cellular structures in the near-native state. We conducted preliminary soft X-ray imaging of S. Pombe cells before and during cell division that revealed subcellular organelles, the actomyosin ring, and the septum of dividing cells. These images reveal tantalizing details of the cytokinesis process and are the first steps in our goal of generating a portfolio of tomographic images that map the location of labeled molecules into high-resolution 3-D reconstructions of the cell. C1 Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. Univ Texas, MD Anderson Canc Ctr, Dept Mol Genet, Houston, TX 77030 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Larabell, CA (reprint author), Univ Calif San Francisco, Dept Anat, 513 Parnassus, San Francisco, CA 94143 USA. EM carolyn.larabell@ucsf.edu FU NCRR NIH HHS [P41 RR019664]; NIGMS NIH HHS [GM 63948, GM 70445] NR 17 TC 31 Z9 31 U1 1 U2 6 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0301-4681 J9 DIFFERENTIATION JI Differentiation PD JUL PY 2007 VL 75 IS 6 BP 529 EP 535 DI 10.1111/j.1432-0436.2007.00180.x PG 7 WC Cell Biology; Developmental Biology SC Cell Biology; Developmental Biology GA 195IL UT WOS:000248405600006 PM 17459084 ER PT J AU Lin, YY Liu, GD Wai, CM Lin, YH AF Lin, Ying-Ying Liu, Guodong Wai, C. M. Lin, Yuehe TI Magnetic beads-based bioelectrochemical immunoassay of polycyclic aromatic hydrocarbons SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE electrochemical immunoassays; PAH; magnetic beads ID SOLID-PHASE EXTRACTION; LASER MASS-SPECTROMETRY; FLUORESCENCE DETECTION; QUANTITATIVE-ANALYSIS; AEROSOL-PARTICLES; SURFACE-WATER; SOLUBILITY; SAMPLES; 3,5,6-TRICHLORO-2-PYRIDINOL; HPLC AB A simple, rapid, and sensitive bioelectrochemical immunoassay method based on magnetic beads (MBs) has been developed to detect polycyclic aromatic hydrocarbons (PAHs). The principle of this bioassay is based on a direct competitive enzyme-linked immunosorbent assay using PAH-antibody-coated MBs and horseradish peroxidase (HRP)-labeled PAH (HRP-PAH). A magnetic process platform was used to mix and shake the samples during the immunoreactions and to separate free and unbound reagents after the liquid-phase competitive immunoreaction among PAH-antibody-coated MBs, PAH analyte, and HRP-PAH. After a complete immunoassay, the HRP tracers attached to MBs were transferred to a substrate solution containing 3,3',5,5'-tetramethylbenzidine (TMB) and hydrogen peroxide (H2O2) for electrochemical detection. The voltammetric characteristics of the substrate were investigated, and the reduction peak current of TMB was used to quantify the concentration of PAH. The different parameters, including the amount of HRP-PAH conjugates, the enzyme catalytic reaction time, and the pH of the supporting electrolyte that governs the analytical performance of the immunoassay have been studied in detail and optimized. The detection limit of 50 pg mL(-1) was obtained under optimum experimental conditions. The performance of this bioelectrochemical magnetic immunoassay was successfully evaluated with tap water spiked with PAHs, indicating that this convenient and sensitive technique offers great promise for decentralized environmental applications. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Idaho, Dept Chem, Moscow, ID 83843 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wai, CM (reprint author), Univ Idaho, Dept Chem, Moscow, ID 83843 USA. EM cwai@uidaho.edu; Yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 27 TC 31 Z9 33 U1 1 U2 23 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD JUL PY 2007 VL 9 IS 7 BP 1547 EP 1552 DI 10.1016/j.elecom.2007.02.007 PG 6 WC Electrochemistry SC Electrochemistry GA 190VT UT WOS:000248089400023 ER PT J AU Wu, H Liu, GD Wang, J Lin, YH AF Wu, Hong Liu, Guodong Wang, Jun Lin, Yuehe TI Quantum-dots based electrochemical immunoassay of interleukin-1 alpha SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE electrochemical immunoassay; QDs; biomarker; interleukin-l alpha ID NANOPARTICLE LABELS; IL-1-ALPHA AB We describe a quantum-dot (QD, CdSe@ZnS) based electrochemical immunoassay to detect a protein biomarker, interleukin-1 alpha (IL-1 alpha). QD conjugated with anti-IL-la antibody was used as a label in an immunorecognition event. After a complete sandwich immunoreaction among the primary IL-1 alpha antibody (immobilized on the avidin-modified magnetic beads), IL-1 alpha, and the QD-labeled secondary antibody, QD labels were attached to the magnetic-bead surface through the antibody-antigen immunocomplex. Electrochemical stripping analysis of the captured QDs was used to quantify the concentration of IL-1 alpha after an acid-dissolution step. The streptavidin-modified magnetic beads and the magnetic separation platform were used to integrate a facile antibody immobilization (through a biotin/ streptavidin interaction) with immunoreactions and the isolation of immunocomplexes from reaction solutions in the assay. The voltammetric response is highly linear over the range of 0.5-50 ng ml(-1) IL-1 alpha, and the limit of detection is estimated to be 0.3 ng ml(-1) (18 pM). This QD-based electrochemical immunoassay shows great promise for rapid, simple, and cost-effective analysis of protein biomarkers. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Liu, GD (reprint author), Pacific NW Natl Lab, 902 Battele Blvd, Richland, WA 99352 USA. EM guodong.liu@pnl.gov; yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 18 TC 46 Z9 50 U1 2 U2 23 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD JUL PY 2007 VL 9 IS 7 BP 1573 EP 1577 DI 10.1016/j.elecom.2007.02.024 PG 5 WC Electrochemistry SC Electrochemistry GA 190VT UT WOS:000248089400028 ER PT J AU Marcinek, M Song, XY Kostecki, R AF Marcinek, Marek Song, Xiangyun Kostecki, Robert TI Microwave plasma chemical vapor deposition of nano-composite C/Pt thin-films SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE C/Pt; catalyst; plasma; microwave ID MULTIWALLED CARBON NANOTUBES; METHANOL FUEL-CELL; PLATINUM NANOPARTICLES; PTRU NANOPARTICLES; FIELD-EMISSION; SUPPORT; ELECTROLYTE; ELECTROOXIDATION; REDUCTION; OXIDATION AB Composite carbon-platinum thin-films of nano-crystalline graphitic carbon decorated with uniformly-dispersed 2-4 nn Pt nano-particles have been synthesized from a solid organic precursor by a one-step microwave plasma chemical vapor deposition (MPCVD). The fast Ar-plasma discharge and the presence of microwave radiation accelerate the formation of sites suitable for in situ heterogeneous nucleation, and consequently, the fine dispersion of metal in the carbonaceous matrix. The electrochemical response of the 2 mu m C/Pt thin-film electrode displays electrochemical activity, which is attributed to the high ca. 18 m(2)/g effective surface area of Pt nano-particles. (C) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Kostecki, R (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM r_kostecki@lbl.gov NR 41 TC 14 Z9 14 U1 0 U2 8 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD JUL PY 2007 VL 9 IS 7 BP 1739 EP 1743 DI 10.1016/j.elecom.2007.03.030 PG 5 WC Electrochemistry SC Electrochemistry GA 190VT UT WOS:000248089400060 ER PT J AU Huber, DE Santiago, JG AF Huber, David E. Santiago, Juan G. TI Taylor-Aris dispersion in temperature gradient focusing SO ELECTROPHORESIS LA English DT Article DE dispersion; microfluidics; preconcentration; Taylor-Aris; temperature gradient focusing ID TOTAL ANALYSIS SYSTEMS; ELECTROOSMOTIC FLOW; HYDRODYNAMIC DISPERSION; CONDUCTIVITY GRADIENTS; SAMPLE STACKING; ELECTROPHORESIS; INSTABILITY; SEPARATION; ANALYTES; CHANNELS AB Microfluidic temperature gradient focusing (TGF) uses an axial temperature gradient to induce a gradient in electrophoretic flux within a microchannel. When balanced with an opposing fluid flow, charged analytes simultaneously focus and separate according to their electrophoretic mobilities. We present a theoretical and experimental study of dispersion in TGF. We model the system using generalized dispersion analysis that yields a 1-D convection-diffusion equation that contains dispersion terms particular to TGF. We consider analytical solutions for the model under uniform temperature gradient conditions. Using a custom TGF experimental setup, we compare focusing measurements with the theoretical predictions. We find that the theory well represents the focusing behavior for flows within the Taylor-Aris dispersion regime. C1 Sandia Natl Labs, Microfluid Dept, Livermore, CA 94551 USA. Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RP Huber, DE (reprint author), Sandia Natl Labs, Microfluid Dept, POB 969,MS 9292, Livermore, CA 94551 USA. EM dhuber@sandia.gov FU NHLBI NIH HHS [N01-HV-28183] NR 38 TC 19 Z9 19 U1 1 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0173-0835 EI 1522-2683 J9 ELECTROPHORESIS JI Electrophoresis PD JUL PY 2007 VL 28 IS 14 BP 2333 EP 2344 DI 10.1002/elps.200600830 PG 12 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 195CU UT WOS:000248390900001 PM 17578841 ER PT J AU Straub, TM Bentrup, KHZ Orosz-Coghlan, P Dohnalkova, A Mayer, BK Bartholomew, RA Valdez, CO Bruckner-Lea, CJ Gerba, CP Abbaszadegan, MA Nickerson, CA AF Straub, Timothy M. Bentrup, Kerstin Honer zu Orosz-Coghlan, Patricia Dohnalkova, Alice Mayer, Brooke K. Bartholomew, Rachel A. Valdez, Catherine O. Bruckner-Lea, Cynthia J. Gerba, Charles P. Abbaszadegan, Morteza A. Nickerson, Cheryl A. TI Cell culture assay for human noroviruses - Response SO EMERGING INFECTIOUS DISEASES LA English DT Letter ID INFECTIVITY C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Tulane Univ, Sch Med, New Orleans, LA 70118 USA. Univ Arizona, Tucson, AZ USA. RP Straub, TM (reprint author), Pacific NW Natl Lab, POB 999,MS P7-50, Richland, WA 99352 USA. EM timothy.straub@pnl.gov NR 2 TC 2 Z9 2 U1 0 U2 3 PU CENTER DISEASE CONTROL PI ATLANTA PA ATLANTA, GA 30333 USA SN 1080-6040 J9 EMERG INFECT DIS JI Emerg. Infect. Dis PD JUL PY 2007 VL 13 IS 7 BP 1117 EP 1118 PG 2 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA 186DB UT WOS:000247758200033 ER PT J AU Ahmadi, G Ji, CA Smith, DH AF Ahmadi, Goodarz Ji, Chuang Smith, Duane H. TI Production of natural gas from methane hydrate by a constant downhole pressure well SO ENERGY CONVERSION AND MANAGEMENT LA English DT Article DE methane hydrate; hydrate dissociation; computer model; natural gas production ID POROUS-MEDIA; DISSOCIATION; DECOMPOSITION AB Natural gas production from the dissociation of methane hydrate in a confined reservoir by a depressurizing downhole well was studied. The case that the well pressure was kept constant was treated, and two different linearization schemes in an axisymmetric configuration were used in the analysis. For different fixed well pressures and reservoir temperatures, approximate self similar solutions were obtained. Distributions of temperature, pressure and gas velocity field across the reservoir were evaluated. The distance of the decomposition front from the well and the natural gas production rate as functions of time were also computed. Time evolutions of the resulting profiles were presented in graphical forms, and their differences with the constant well output results were studied. It was shown that the gas production rate was a sensitive function of well pressure and reservoir temperature. The sensitivity of the results to the linearization scheme used was also studied. (c) 2007 Elsevier Ltd. All rights reserved. C1 Clarkson Univ, Dept Mech & Aeronaut Engn, Potsdam, NY 13699 USA. US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Ahmadi, G (reprint author), Clarkson Univ, Dept Mech & Aeronaut Engn, Potsdam, NY 13699 USA. EM ahmadi@clarkson.edu NR 21 TC 46 Z9 51 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0196-8904 J9 ENERG CONVERS MANAGE JI Energy Conv. Manag. PD JUL PY 2007 VL 48 IS 7 BP 2053 EP 2068 DI 10.1016/j.enconman.2007.01.015 PG 16 WC Thermodynamics; Energy & Fuels; Mechanics SC Thermodynamics; Energy & Fuels; Mechanics GA 174DQ UT WOS:000246921800018 ER PT J AU Greening, LA Boyd, G Roop, JM AF Greening, Lorna A. Boyd, Gale Roop, Joseph M. TI Modeling of industrial energy consumption: An introduction and context SO ENERGY ECONOMICS LA English DT Article DE industrial; energy; modeling; econometrics; CGE; energy-system; index decomposition; real option; linear programming; simulation; 'top-down'; 'bottom-up' AB Industrial energy accounts for roughly one third of total global energy consumption, and is expected to continue to use a similar share in the foreseeable future. However, this is one of the hardest end-uses to analyze, model and forecast. The reasons for modeling industrial energy consumption are as varied as the ways in which energy is used in production processes. This has led to the application of a broad set of emperical tools from several different disciplines. In this article, we provide an introduction and context for a compendium or survey of the methods used in this area. This special issue of Energy Economics is designed to provide both newcomers and accomplished researchers with an overview of the current state of development in the are of industrial energy modeling. (C) 2007 Elsevier B.V All rights reserved. C1 Duke Univ, Triangle Census Res Data Ctr, Durham, NC 27706 USA. Duke Univ, Dept Econ, Durham, NC 27706 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. EM LGDoone@aol.com NR 18 TC 31 Z9 31 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD JUL PY 2007 VL 29 IS 4 BP 599 EP 608 DI 10.1016/j.eneco.2007.02.011 PG 10 WC Economics SC Business & Economics GA 186SF UT WOS:000247797800001 ER PT J AU Schumacher, K Sands, RD AF Schumacher, Katja Sands, Ronald D. TI Where are the industrial technologies in energy-economy models? An innovative CGE approach for steel production in Germany SO ENERGY ECONOMICS LA English DT Article DE industrial technologies; energy use; iron and steel production; technological change; general equilibrium modeling ID CLIMATE POLICY; BOTTOM-UP; TOP-DOWN; US IRON; CO2; REDUCTION; EMISSIONS; DYNAMICS; EFFICIENCY AB Top-down computable general equilibrium (CGE) models are used extensively for analysis of energy and climate policies. Energy-intensive industries are usually represented in top-down economic models as abstract economic production functions, commonly of the constant-elasticity-of-substitution (CES) or translog functional form. This study explores methods for improving the realism of energy-intensive industries in top-down economic models. We replace a CES production function with a set of specific technologies and provide a comparison between the traditional production function approach in CGE models and an approach with separate technologies for making iron and steel. In particular, we investigate the response of the iron and steel sector to a set of CO(2) price scenarios. Our technology-based, integrated approach permits a choice between several technologies for producing iron and steel and allows for shifts in technology characteristics over time towards best practice, innovative technologies. In addition, the general equilibrium framework allows us to analyze interactions between production sectors, for example between electricity generation and iron and steel production, investigate simultaneous economy-wide reactions and capture the main driving forces of greenhouse gas emissions reductions under a climate policy. We conclude that technology-specific effects are crucial for the economic assessment of climate policies, in particular the effects relating to process shifts and fuel input structure. (C) 2007 Elsevier B.V. All rights reserved. C1 German Inst Econ Res DIW Berlin, D-14195 Berlin, Germany. Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Schumacher, K (reprint author), German Inst Econ Res DIW Berlin, Konigin Luise Str 5, D-14195 Berlin, Germany. EM kschumacher@diw.de; ronald.sands@pnl.gov NR 72 TC 23 Z9 25 U1 2 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-9883 J9 ENERG ECON JI Energy Econ. PD JUL PY 2007 VL 29 IS 4 BP 799 EP 825 DI 10.1016/j.eneco.2006.12.007 PG 27 WC Economics SC Business & Economics GA 186SF UT WOS:000247797800010 ER PT J AU Zhang, HR Eddings, EG Sarofim, AF Westbrook, CK AF Zhang, Hongzhi R. Eddings, Eric G. Sarofim, Adel F. Westbrook, Charles K. TI Mechanism reduction and generation using analysis of major fuel consumption pathways for n-heptane in premixed and diffusion flames SO ENERGY & FUELS LA English DT Article ID CHEMICAL-KINETICS; STIRRED REACTOR; OXIDATION; COMBUSTION; PRESSURE; AUTOIGNITION; IGNITION; COUNTERFLOW; COMPONENTS; ACETYLENE AB Reaction pathway analyses were conducted for three mechanisms (designated as the Pitsch, Utah, and Lawrence Livermore National Lab) for a normal heptane premixed flame (Phi = 1.9) and a normal heptane opposed diffusion flame, in order to identify the relative importance of the major fuel consumption pathways in the two flame classes. In premixed flames, hydrogen abstraction is found to be the major fuel consumption route although it is surpassed by thermal decomposition when the flame temperature exceeds 1400-1500 K. At the higher temperatures, however, little fuel remains in a premixed flame so that thermal decomposition provides a minor pathway for overall fuel decomposition. The principal abstractor is the hydrogen radical in all three mechanisms with the hydroxyl radical having a secondary role. In opposed diffusion flames, thermal decomposition competes with hydrogen abstraction in providing the major pathway for fuel consumption. Thermal decomposition becomes important when a large fraction of the fuel reaches the high-temperature zone in a flame. By understanding the relative importance of competing fuel consumption pathways, mechanisms can be tailored to each specific application by eliminating or lumping insignificant reactions. The results obtained in this study for n-heptane may be used to guide the reduction of existing mechanisms for a particular application or the generation of mechanisms for the combustion of larger paraffins that are major components of liquid aviation and transportation fuels. C1 Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA. Lawrence Livermore Natl Lab, Div Chem & Nucl Sci, Livermore, CA 94551 USA. RP Zhang, HR (reprint author), Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA. EM westshanghai@yahoo.com NR 45 TC 8 Z9 8 U1 1 U2 5 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 2007 VL 21 IS 4 BP 1967 EP 1976 DI 10.1021/ef060092z PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 190UC UT WOS:000248085100020 ER PT J AU Cheng, ASE Upatnieks, A Mueller, CJ AF Cheng, A. S. (Ed) Upatnieks, Ansis Mueller, Charles J. TI Investigation of fuel effects on dilute, mixing-controlled combustion in an optical direct-injection diesel engine SO ENERGY & FUELS LA English DT Article AB Effects of fuel type on dilute diesel combustion and emissions were investigated using an optically accessible diesel engine. A number 2 diesel fuel, a primary reference fuel blend, and a soy-derived biodiesel were evaluated at an engine speed of 1200 rpm, and for intake-oxygen mole fractions ranging from 21% down to 8%. Diagnostics included conventional heat-release analysis; the measurement of in-cylinder natural luminosity; in-cylinder imaging of the start of fuel injection; and the measurement of engine-out emissions of nitrogen oxides (NOx), smoke, HC, and CO. Data previously obtained using the fuel diethylene glycol diethyl ether are presented to provide further insight. Results reveal that reduced oxygen mole fractions produce a slower heat release and lower levels of soot formation. However, engine-out particulate matter levels are also dramatically influenced by subsequent soot oxidation, which is greatest at higher oxygen mole fractions. NOx emissions are observed to drop dramatically as oxygen mole fractions are reduced, due to the associated reductions in combustion temperatures. Overall, changes in oxygen mole fractions produce similar trends in emissions results for each of the fuels investigated; however, differences do exist that may provide opportunities for implementing effective fuel-specific emissions-control strategies. A parameter called the overlimit function is introduced to help evaluate and optimize operating strategies for engine systems that must comply with multiple simultaneous constraints (e.g., emissions levels, efficiency, peak cylinder pressure, and ringing intensity) as operating conditions are varied. C1 San Francisco State Univ, Sch Engn, San Francisco, CA 94132 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Cheng, ASE (reprint author), San Francisco State Univ, Sch Engn, San Francisco, CA 94132 USA. EM ascheng@sfsu.edu NR 22 TC 25 Z9 25 U1 0 U2 9 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 2007 VL 21 IS 4 BP 1989 EP 2002 DI 10.1021/ef0606456 PG 14 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 190UC UT WOS:000248085100023 ER PT J AU Siriwardane, RV Robinson, C Shen, M Simonyi, T AF Siriwardane, Ranjani V. Robinson, Clark Shen, Ming Simonyi, Tom TI Novel regenerable sodium-based sorbents for CO2 capture at warm gas temperatures SO ENERGY & FUELS LA English DT Article ID ADSORPTION; ZEOLITES; CARBONATE; SPECTRA; N-2 AB A novel sorbent consisting of NaOH/CaO was developed for CO2 capture at 315 degrees C suitable for high-temperature CO2-capture applications, such as coal gasification systems. The sorbent is regenerable at 700 degrees C, and steam does not affect the sorbent performance. A multicycle test conducted in the atmospheric reactor at 315 degrees C indicated that the sorbent improved the performance with an increased number of cycles. The sorbent can also capture CO2 at a wide range of temperatures from ambient to 500 degrees C. However, the mechanism of CO2 capture is different at ambient temperature. The sorbent is unique because it has a high CO2-capture capacity of more than 3 mol/kg at 315 degrees C and is regenerable at 700 degrees C. C1 Natl Energy Technol Ctr, US Dept Energy, Morgantown, WV 26505 USA. Parsons Inc, Res Dev Solut, Morgantown, WV 26507 USA. RP Siriwardane, RV (reprint author), Natl Energy Technol Ctr, US Dept Energy, Morgantown, WV 26505 USA. EM ranjani.siriwardane@netl.doe.gov NR 25 TC 57 Z9 60 U1 2 U2 11 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 2007 VL 21 IS 4 BP 2088 EP 2097 DI 10.1021/ef070008v PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 190UC UT WOS:000248085100035 ER PT J AU Tonn, B Peretz, JH AF Tonn, Bruce Peretz, Jean H. TI State-level benefits of energy efficiency SO ENERGY POLICY LA English DT Article DE energy efficiency; states; non-energy benefits ID DIFFUSION AB This paper describes benefits attributable to state-level energy efficiency programs. Nationwide, state-level energy efficiency programs have targeted all sectors of the economy and have employed a wide range of methods to promote energy efficiency. Standard residential and industrial programs typically identify between 20% and 30% energy savings in homes and plants, respectively. Over a 20-year period of time, an average state that aggressively pursues even a limited array of energy efficiency programs can potentially reduce total state energy use by as much as 20%. Well-designed energy efficiency programs can be expected to help overcome numerous barriers to the market penetration of energy efficient technologies and accelerate the market penetration of the technologies. Energy efficiency programs are cost-effective; typical benefit-cost ratios exceed 3:1 and are much higher when non-energy and macroeconomic benefits are included. Indeed, energy efficiency and associated programs and investments can create significant numbers of new jobs and enhance state tax revenues. Several states have incorporated energy efficiency into their economic development programs. It should also be noted that increasing amounts of venture capital are being invested in the energy sector in general and in specific technologies like solar power in particular. (c) 2007 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. RP Tonn, B (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bldg 1505,MS-6038, Oak Ridge, TN 37831 USA. EM bet@ornl.gov NR 40 TC 27 Z9 27 U1 2 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JUL PY 2007 VL 35 IS 7 BP 3665 EP 3674 DI 10.1016/j.enpol.2007.01.009 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 182WT UT WOS:000247535400010 ER PT J AU Plotkin, S AF Plotkin, Steven TI Examining new US fuel economy standards SO ENVIRONMENT LA English DT Article C1 Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. RP Plotkin, S (reprint author), Argonne Natl Lab, Ctr Transportat Res, Argonne, IL 60439 USA. EM splotkin@ani.gov NR 19 TC 0 Z9 0 U1 0 U2 2 PU HELDREF PUBLICATIONS PI WASHINGTON PA 1319 EIGHTEENTH ST NW, WASHINGTON, DC 20036-1802 USA SN 0013-9157 J9 ENVIRONMENT JI Environment PD JUL-AUG PY 2007 VL 49 IS 6 BP 8 EP 19 DI 10.3200/ENVT.49.6.8-19 PG 12 WC Environmental Sciences; Environmental Studies SC Environmental Sciences & Ecology GA 192HI UT WOS:000248191200002 ER PT J AU Fan, JH Wilson, PF Wong, HK Urbin, SS Thompson, LH Wilson, DM AF Fan, Jinshui Wilson, Paul F. Wong, Heng-Kuan Urbin, Salustra S. Thompson, Larry H. Wilson, David M., III TI XRCC1 down-regulation in human cells leads to DNA-damaging agent hypersensitivity, elevated sister chromatid exchange, and reduced survival of BRCA2 mutant cells SO ENVIRONMENTAL AND MOLECULAR MUTAGENESIS LA English DT Article DE X-ray repair cross-complementing gene 1; DNA base excision repair; NHF1-hTERT; CAPAN-1 ID STRAND-BREAK REPAIR; BASE EXCISION-REPAIR; LIGASE-III; POLY(ADP-RIBOSE) POLYMERASE; CHROMOSOME INSTABILITY; CANCER; STABILITY; ROLES; POLYMORPHISMS; SENSITIVITY AB Previous studies using rodent cells indicate that a deficiency in XRCC1 results in reduced single-strand break repair, increased sensitivity to DNA-damaging agents, and elevated levels of sister chromatid exchange (SCE). Epidemiological studies have suggested an association of certain human XRCC1 polymorphisms with genetic instability and cancer susceptibility. However, investigations on the molecular functions of XRCC1 in human cells are limited. To determine the contributions of this nonenzymatic scaffold protein, we suppressed XRCC1 levels in several human cell lines using small interfering RNA (siRNA) technology. We report that XRCC1 down-regulation in HeLa cells leads to a concomitant decrease in the DNA ligase 3 protein level and an impaired nick ligation capacity. In addition, depletion of XRCC1 resulted in a significantly increased sensitivity to the alkylating agent methyl methanesulfonate and the thymidine base analog 5-hydroxymethyl-2'-deoxyuridine, a slightly increased sensitivity to ethyl methanesulfonate, and 1,3-bis(2-chloroethyl)1-nitrosourea, and no change in the response to camptothecin. We also discovered that a 70-80% reduction in XRCC1 protein leads to an elevated level of SCE in both HeLa cells and normal human fibroblasts, but does not affect chromosome aberrations in the diploid fibroblasts. Last, XRCC1 siRNA transfection led to an similar to 40% decrease in the survival of BRCA2-deficient cells, supporting a model whereby the accumulation of unrepaired SSBs leads to the accumulation of cytotoxic DNA double strand breaks following replication fork collapse in cells defective in homologous recombination. C1 NIA, Lab Mol Gerontol, Baltimore, MD 21224 USA. Lawrence Livermore Natl Lab, Chem Mat & Life Sci Direct, Livermore, CA USA. RP Wilson, DM (reprint author), NIA, Lab Mol Gerontol, 5600 Nathan Shock Dr, Baltimore, MD 21224 USA. EM wilsonda@grc.nia.nih.gov FU Intramural NIH HHS; NCI NIH HHS [CA11256] NR 58 TC 19 Z9 20 U1 0 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0893-6692 J9 ENVIRON MOL MUTAGEN JI Environ. Mol. Mutagen. PD JUL PY 2007 VL 48 IS 6 BP 491 EP 500 DI 10.1002/em.20312 PG 10 WC Environmental Sciences; Genetics & Heredity; Toxicology SC Environmental Sciences & Ecology; Genetics & Heredity; Toxicology GA 196SX UT WOS:000248503400009 PM 17603793 ER PT J AU Burgos, WD Senko, JM Dempsey, BA Roden, EE Stone, JJ Kenmer, KM Kelly, SD AF Burgos, William D. Senko, John M. Dempsey, Brian A. Roden, Eric E. Stone, James. J. Kenmer, Ken M. Kelly, Shelly D. TI Soil humic acid decreases biological uranium(VI) reduction by Shewanella putrefaciens CN32 SO ENVIRONMENTAL ENGINEERING SCIENCE LA English DT Article DE uranium reduction; uranium complexation; humics; Shewanella; XAFS ID NATURAL ORGANIC-MATTER; REDUCING BACTERIA; U(VI) REDUCTION; AQUEOUS-SOLUTIONS; BIOREDUCTION; SUBSTANCES; COMPLEXATION; GROUNDWATERS; SPECIATION; KINETICS AB Biological reduction of uranium(VI) by Shewanella putrefaciens CN32 was investigated in the presence of soil humic acid (SHA). Experiments were performed under resting cell conditions with uranyl acetate as the electron acceptor and sodium lactate as the electron donor in a NaHCO3 or PIPES/NaHCO3 buffer. SHA significantly decreased the final extent of U(VI) bioreduction (100% uranium bioreduced without humics vs. 50% uranium bioreduced with humics). Dissolved (0.2-mu m filter) U(VI) was measured by kinetic phosphorescence analysis where samples were kept anoxic during one measurement, and split samples were oxidized and remeasured. The difference between the anoxic and oxidized measurements was operationally defined as "U(IV) < 0.2-mu m." U(IV) <0.2-mu m was detected only in samples containing SHA suggesting that soluble U(IV)-SHA complexes were formed or SHA facilitated the transport of (UO2)-O-IV(s) nanoparticles through the filter. Identical experiments conducted with nitrate instead of U(VI) showed that SHA interrupted electron transport to nitrate, and may interact similarly with U(VI). These results suggest that humic materials may influence U immobilization by decreasing U(VI) reduction and enhancing the solubility of U(IV). C1 Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA. Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. S Dakota Sch Mines & Technol, Dept Civil & Environm Engn, Rapid City, SD 57701 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Burgos, WD (reprint author), Penn State Univ, Dept Civil & Environm Engn, 212 Sackett Bldg, University Pk, PA 16802 USA. EM wdb3@psu.edu RI Dempsey, Brian/G-3482-2011; ID, MRCAT/G-7586-2011 NR 27 TC 12 Z9 12 U1 4 U2 29 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1092-8758 EI 1557-9018 J9 ENVIRON ENG SCI JI Environ. Eng. Sci. PD JUL-AUG PY 2007 VL 24 IS 6 BP 755 EP 761 DI 10.1089/ees.2006.0009 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 192GY UT WOS:000248190100004 ER PT J AU Hultman, NE Koomey, JG AF Hultman, Nathan E. Koomey, Jonathan G. TI The risk of surprise in energy technology costs SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE energy technology; R&D; uncertainty; overconfidence; climate change ID RESEARCH-AND-DEVELOPMENT; LOW-PROBABILITY EVENTS; REAL-OPTIONS APPROACH; UNITED-STATES; NUCLEAR-POWER; TEACH US; UNCERTAINTY; ACCURACY; PHOTOVOLTAICS; DISTRIBUTIONS AB As countries begin to reassess and expand their energy research and development programs, it is appropriate to understand the likely costs of alternate approaches. Unfortunately, communities of experts have a well-known optimistic bias in their judgments. We review findings from several disciplines that underscore this tendency toward overconfidence as well as some proposed alternatives to incorporate it in public decision-making. We further argue, based on a disaggregated analysis of US nuclear power costs, that incorporating a second-order uncertainty in the shape of the distribution of cost components is essential for capturing important elements of uncertainty in moving forward with expanded energy R&D programs. C1 [Hultman, Nathan E.] Georgetown Univ, Program Sci Technol & Int Affairs, Washington, DC 20057 USA. [Hultman, Nathan E.] Univ Oxford, James Martin Inst Sci & Civilizat, Oxford OX1 2JD, England. [Koomey, Jonathan G.] Stanford Univ, Stanford, CA 94305 USA. [Koomey, Jonathan G.] Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA USA. RP Hultman, NE (reprint author), Georgetown Univ, Program Sci Technol & Int Affairs, Washington, DC 20057 USA. EM neh3@georgetown.edu; JGKoomey@stanford.edu NR 60 TC 16 Z9 16 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD JUL-SEP PY 2007 VL 2 IS 3 AR 034002 DI 10.1088/1748-9326/2/3/034002 PG 6 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 269MK UT WOS:000253652900002 ER PT J AU Jakober, CA Riddle, SG Robert, MA Destaillats, H Charles, MJ Green, PG Kleeman, MJ AF Jakober, Chris A. Riddle, Sarah G. Robert, Michael A. Destaillats, Hugo Charles, M. Judith Green, Peter G. Kleeman, Michael J. TI Quinone emissions from gasoline and diesel motor vehicles SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID POLYCYCLIC AROMATIC-HYDROCARBONS; AIRBORNE PARTICULATE MATTER; AIR-POLLUTION SOURCES; FINE ORGANIC AEROSOL; EXHAUST PARTICLES; CHEMICAL-COMPOSITION; OXIDATIVE STRESS; GENERATION; TOXICITY; PHASE AB Gas- and particle-phase emissions from gasoline and diesel vehicles operated on chassis dynamometers were collected using annular denuders, quartz filters, and PUF substrates. Quinone species were measured using 0-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine derivatization in conjunction with gas chromatography-mass spectrometry and high-performance liquid chromatography-mass spectrometry. Nine quinones were observed, ranging from C-6 to C-16. New species identified in motor vehicle exhaust include methyl-1,4-benzoquinone, 2-methyl-1,4-naphthoquinone (MNQN), and aceanthrenequinone. Gas-phase motor vehicle emissions of quinones are also reported for the first time. Six gas-phase quinones were quantified with emission rates of 2-28 000 mu g L-1 fuel consumed. The most abundant gas-phase quinones were 1,4-benzoquinone (KIN) and MNQN. The gas-phase fraction was >= 69% of quinone mass for light-duty gasoline emissions, and >= 84% for heavy-duty diesel emissions. Eight particle-phase quinones were observed between 2 and 1600 mu g L-1, with BQN the most abundant species followed by 9,10-phenanthrene-quinone and 1,2-naphthoquinone. Current particle-phase quinone measurements agree well with the few available previous results. Further research is needed concerning the gas-particle partitioning behavior of quinones in ambient and combustion source conditions. C1 Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA. Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Environm Energy Technol Div, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Kleeman, MJ (reprint author), Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA. EM mjkleeman@ucdavis.edu RI Destaillats, Hugo/B-7936-2013; Jakober, Chris/I-2980-2013 OI Jakober, Chris/0000-0002-8952-6994 FU NIEHS NIH HHS [T32 ES07059] NR 46 TC 68 Z9 70 U1 2 U2 35 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 2007 VL 41 IS 13 BP 4548 EP 4554 DI 10.1021/es062967u PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 186MJ UT WOS:000247782500019 PM 17695895 ER PT J AU Arai, Y Marcus, MK Tamura, N Davis, JA Zachara, JM AF Arai, Yuji Marcus, M. K. Tamura, N. Davis, J. A. Zachara, J. M. TI Spectroscopic evidence for uranium bearing precipitates in vadose zone sediments at the Hanford 300-area site SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID URANYL INCORPORATION; NATURAL CALCITE; WATER INTERFACE; U(VI); COMPLEXATION; ADSORPTION; SPECIATION; SORPTION; XAFS; MONTMORILLONITE AB Uranium (U) solid-state speciation in vadose zone sediments collected beneath the former North Process Pond (NPP) in the 300 Aroa of the Hanford site (Washington) was investigated using multi-scale techniques. In 30 day batch experiments, only a small fraction of total U (similar to 7.4%) was released to artificial groundwater solutions equilibrated with 1% PCO2- Synchrotron-based micro-X-ray fluorescence spectroscopy analyses showed that U was distributed among at least two types of species: (i) U discrete grains associated with Cu and (ii) areas with intermediate U concentrations on grains and grain coatings. Metatorbernite (CU[UO2](2)[PO4](2 center dot)8H(2)O) and uranophane (Ca[UO2](2)[SiO3(OH)](2 center dot) 5H(2)O) at some U discrete grains, and muscovite at U intermediate concentration areas, were identified in synchrotron-based micro-X-ray diffraction. Scanning electron microscopy/energy dispersive X-ray analyses revealed 8-10 mu m size metatorbemite particles that were embedded in C-, Al-, and Si-rich coatings on quartz and albite grains. In mu- and bulk-X-ray absorption structure (mu-XAS and XAS) spectroscopy analyses, the structure of metatorbernite with addi-ional U-C and U-U coordination environments was consistently observed at U discrete grains with high U concentrations. The consistency of the mu- and bulk-XAS analyses suggests that metatorbernite may comprise a significant fraction of the total U in the sample. The entrapped, micrometer-sized metatorbernite particles in C-, Al-, and Si-rich coatings, along with the more soluble precipitated uranyl carbonates and uranophane, likely control the long-term release of U to water associated with the vadose zone sediments. C1 Clemson Univ, Poole Agr Ctr 270, Dept Entomol Soils & Plant Sci, Clemson, SC 29634 USA. Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. US Geol Survey, Water Resource Div, Menlo Pk, CA 94325 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Arai, Y (reprint author), Clemson Univ, Poole Agr Ctr 270, Dept Entomol Soils & Plant Sci, Clemson, SC 29634 USA. EM yarai@clemson.edu NR 29 TC 52 Z9 53 U1 3 U2 23 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 2007 VL 41 IS 13 BP 4633 EP 4639 DI 10.1021/es062196u PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 186MJ UT WOS:000247782500032 PM 17695908 ER PT J AU Fang, J Gu, ZM Gang, DC Liu, CX Ilton, ES Deng, BL AF Fang, Jun Gu, Zhimang Gang, Dianchen Liu, Chongxuan Ilton, Eugene S. Deng, Baolin TI Cr(VI) removal from aqueous solution by activated carbon coated with quaternized poly(4-vinylpyridine) SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID HEXAVALENT CHROMIUM; ION-EXCHANGE; WASTE-WATER; ADSORPTION; KINETICS; GROUNDWATER; BIOSORPTION; BIOSORBENT; SORPTION; HEAVY AB A composite sorbent (GAC-QPVP) was prepared by coating poly(4-vinylpyridine) onto a granular activated carbon, followed by cross-linking and quaternization processes. The sorbent was characterized by scanning electron microscopy, point of zero charge measurement, and BET analysis. Batch experiments with variable pH, ionic strength, and concentrations of Cr(VI), sorbent, and competing anions were conducted to evaluate the selective sorption of Cr(VI) from aqueous solutions. The results showed that Cr(VI) sorption rates could be described by a reversible second-order kinetics, and equilibrium uptake of Cr(VI) increased with decreasing pH, decreasing ionic strength, and increasing sorbent concentration. The estimated maximum equilibrium uptake of chromium was 53.7 mg/g at pH = 2.25, 30.7 mg/g at pH = 3.65, and 18.9 mg/g at pH = 6.03, much higher than the maximum capacity of PVPcoated silica gel, an adsorbent for Cr examined previously. When compared with the untreated granular activated carbon, sorption onto GAC-QPVP resulted in much less Cr(VI) reduction and subsequent release of Cr(III). The effect of phosphate, sulfate, and nitrate was minor on the selective sorption of Cr(VI). An ion exchange model that was linked with aqueous speciation chemistry described Cr(VI) sorption reasonably well as a function of pH, ionic strength, and Cr(VI) concentration. Model simulations suggested that sorbed Cr(VI) was partially reduced to Cr(III) on the sorbent when pH was less than 4. The presence of Cr(III) on the sorbent was confirmed by the X-ray photoelectron spectroscopic analysis. Overall, the study has demonstrated that GAC-QPVP can effectively remove Cr(VI) from aqueous solutions under a wide range of experimental conditions, without significant Cr(III) release associated with the virgin GAC treatment. C1 Univ Missouri, Dept Civil & Environm Engn, Columbia, MO 65211 USA. W Virginia Univ, Inst Technol, Dept Civil Engn, Montgomery, WV 25136 USA. Pacific NW Natl Lab, Environm Dynam & Simulat Fundamental Sci Div, Richland, WA 99352 USA. RP Deng, BL (reprint author), Univ Missouri, Dept Civil & Environm Engn, Columbia, MO 65211 USA. EM dengb@missouri.edu RI Liu, Chongxuan/C-5580-2009; Fang, Jun/H-7058-2012; OI Deng, Baolin/0000-0001-6569-1808 NR 40 TC 99 Z9 103 U1 6 U2 66 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 2007 VL 41 IS 13 BP 4748 EP 4753 DI 10.1021/es061969b PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 186MJ UT WOS:000247782500048 PM 17695924 ER PT J AU Larkin, P Villeneuve, DL Knoebl, I Miracle, AL Carter, BJ Liu, L Denslow, ND Ankley, GT AF Larkin, Patrick Villeneuve, Daniel L. Knoebl, Iris Miracle, Ann L. Carter, Barbara J. Liu, Li Denslow, Nancy D. Ankley, Gerald T. TI Development and validation of a 2,000-gene microarray for the fathead minnow (Pimephales promelas) SO ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY LA English DT Article DE ecotoxicology; estradiol; fathead minnow; gene expression; microarray ID VITELLOGENIN GENE-EXPRESSION; TROUT SALMO-GAIRDNERI; RAINBOW-TROUT; ESTROGEN-RECEPTOR; ORYZIAS-LATIPES; MESSENGER-RNA; EXPOSURE; 17-BETA-ESTRADIOL; LIVER; FISH AB Gene microarrays provide the field of ecotoxicology new tools to identify mechanisms of action of chemicals and chemical mixtures. Herein we describe the development and application of a 2,000-gene oligonucleotide microarray for the fathead minnow Pimephales promelas, a species commonly used in ecological risk assessments in North America. The microarrays were developed from various cDNA and subtraction libraries that we constructed. Consistency and reproducibility of the microarrays were documented by examining multiple technical replicates. To test application of the fathead minnow microarrays, gene expression profiles of fish exposed to 17 beta-estradiol, a well-characterized estrogen receptor (ER) agonist, were examined. For these experiments, adult male fathead minnows were exposed for 24 It to waterborne 17 beta-estradiol (40 or 100 ng/L) in a flow-through system, and gene expression in liver samples was characterized. Seventy-one genes were identified as differentially regulated by estradiol exposure. Examination of the gene ontology designations of these genes revealed patterns consistent with estradiol's expected mechanisms of action and also provided novel insights as to molecular effects of the estrogen. Our studies indicate the feasibility and utility of microarrays as a basis for understanding biological responses to chemical exposure in a model ecotoxicology test species. C1 US EPA, Mid Continent Ecol Div, Duluth, MN 55804 USA. EcoArray, Alachua, FL 32615 USA. US EPA, Ecol Exposure Res Div, Cincinnati, OH 45268 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Florida, Interdisciplinary Ctr Biotechnol Res, Gainesville, FL 32611 USA. Univ Florida, Dept Physiol Sci, Gainesville, FL 32611 USA. Univ Florida, Ctr Environm & Human Toxicol, Gainesville, FL 32611 USA. RP Ankley, GT (reprint author), US EPA, Mid Continent Ecol Div, 6201 Congdon Blvd, Duluth, MN 55804 USA. EM ankley.gerald@epa.gov FU NIEHS NIH HHS [2R44ES013637-02, 1R43 ES011882-01] NR 39 TC 24 Z9 26 U1 1 U2 6 PU SOCIETY ENVIRONMENTAL TOXICOLOGY & CHEMISTRY-SETAC PI PENSACOLA PA 1010 NORTH 12TH AVE, PENSACOLA, FL 32501-3367 USA SN 0730-7268 J9 ENVIRON TOXICOL CHEM JI Environ. Toxicol. Chem. PD JUL PY 2007 VL 26 IS 7 BP 1497 EP 1506 DI 10.1897/06-501R.1 PG 10 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA 180PY UT WOS:000247379200022 PM 17665692 ER PT J AU Onose, Y Li, L Petrovic, C Ong, NP AF Onose, Y. Li, Lu Petrovic, C. Ong, N. P. TI Anomalous thermopower and Nernst effect in CeCoIn5: Loss of entropy current in precursor state SO EPL LA English DT Article ID SUPERCONDUCTIVITY AB The heavy-electron superconductor CeCoIn5 exhibits a puzzling precursor state above its superconducting critical temperature at T-c = 2.3 K. The thermopower and Nernst signal are anomalous. Below 15 K, the entropy current of the electrons undergoes a steep decrease reaching similar to 0 at T-c. Concurrently, the off-diagonal thermoelectric current alpha(xy) is enhanced. The delicate sensitivity of the zero-entropy state to field implies phase coherence over large distances. The prominent anomalies in the thermoelectric current contrast with the relatively weak effects in the resistivity and magnetization. Copyright (c) EPLA, 2007. C1 Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Onose, Y (reprint author), Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. RI Petrovic, Cedomir/A-8789-2009; Onose, Yoshinori/F-1977-2010 OI Petrovic, Cedomir/0000-0001-6063-1881; NR 20 TC 17 Z9 18 U1 0 U2 9 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD JUL PY 2007 VL 79 IS 1 AR 17006 DI 10.1209/0295-5075/79/17006 PG 5 WC Physics, Multidisciplinary SC Physics GA 200YF UT WOS:000248798000019 ER PT J AU Chekanov, S Derrick, M Magill, S Miglioranzi, S Musgrave, B Nicholass, D Repond, J Yoshida, R Mattingly, MCK Pavel, N Molina, AGY Antonelli, S Antonioli, P Bari, G Basile, M Bellagamba, L Bindi, M Boscherini, D Bruni, A Bruni, G Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Iacobucci, G Margotti, A Nania, R Polini, A Rinaldi, L Sartorelli, G Zichichi, A Aghuzumtsyan, G Bartsch, D Brock, I Goers, S Hartmann, H Hilger, E Jakob, HP Jungst, M Kind, OM Paul, E Rautenber, J Renner, R Samson, U Schonberg, V Wang, M Wlasenko, M Brook, NH Heath, GP Morris, JD Namsoo, T Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ma, KJ Ibrahim, ZA Kamaluddin, B Abdullah, WATW Ning, Y Ren, Z Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Gil, M Olkiewicz, K Stopa, P Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Kotanski, A Slominski, W Adler, V Behrens, U Bloch, I Bonato, A Borras, K Coppola, N Fourletova, J Geiser, A Gladkov, D Gottlicher, P Gregor, I Gutsche, O Haas, T Hain, W Horn, C Kahle, B Kotz, U Kowalski, H Lim, H Lobodzinska, E Lohr, B Mankel, R Melzer-Pellmann, IA Montanari, A Nguyen, CN Notz, D Nuncio-Quiroz, AE Santamarta, R Schneekloth, U Spiridonov, A Stadie, H Stosslein, U Szuba, D Szuba, J Theedt, T Watt, G Wolf, G Wrona, K Youngman, C Zeuner, W Schlenstedt, S Barbagli, G Gallo, E Pelfer, PG Bamberger, A Dobur, D Karstens, F Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Ferrando, J Saxon, DH Skillicorn, IO Gialas, I Gosau, T Holm, U Klanner, R Lohrmann, E Salehi, H Schleper, P Schorner-Sadenius, T Sztuk, J Wichmann, K Wick, K Foudas, C Fry, C Long, KR Tapper, AD Kataoka, M Matsumoto, T Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Dossanov, A Pokrovskiy, NS Zhautykov, BO Son, D De Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Ron, E Terron, J Zambrana, M Corriveau, F Liu, C Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Rubinsky, I Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Katkov, II Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Zotkin, SA Abt, I Buttner, C Caldwell, A Kollar, D Schmidke, WB Sutiak, J Grigorescu, G Keramidas, A Eman, EK Kooijman, P Pellegrino, A Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Lee, A Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Cottrell, A Devenish, RCE Foster, B Gwenlan, C Korcsak-Gorzo, K Patel, S Roberfroid, V Robertson, A Straub, PB Uribe-Estrada, C Walczak, R Bellan, P Bertolin, A Brugnera, R Carlin, R Ciesielski, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Stanco, L Turcato, M Oh, BY Raval, A Ukleja, J Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cole, JE Hart, JC Abramowicz, H Gabareen, A Ingbir, R Kananov, S Levy, A Kuze, M Hori, R Kagawa, S Shimizu, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Ota, O Ri, YD Ferrero, MI Monaco, V Sacchi, R Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Boutle, SK Butterworth, JM Hall-Wilton, R Jones, TW Loizides, JH Sutton, MR Targett-Adams, C Wing, M Brzozowska, B Ciborowski, J Grzelak, G Kulinski, P Luzniak, P Malka, J Nowak, RJ Pawlak, JM Tymieniecka, T Ukleja, A Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Giller, I Hochman, D Karshon, U Rosin, M Brownson, E Danielson, T Everett, A Kcira, D Reeder, DD Ryan, P Savin, AA Smith, WH Wolfe, H Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Soares, M Standage, J Whyte, J AF Chekanov, S. Derrick, M. Magill, S. Miglioranzi, S. Musgrave, B. Nicholass, D. Repond, J. Yoshida, R. Mattingly, M. C. K. Pavel, N. Molina, A. G. Yagueeses Antonelli, S. Antonioli, P. Bari, G. Basile, M. Bellagamba, L. Bindi, M. Boscherini, D. Bruni, A. Bruni, G. Cifarelli, L. Cindolo, F. Contin, A. Corradi, M. De Pasquale, S. Iacobucci, G. Margotti, A. Nania, R. Polini, A. Rinaldi, L. Sartorelli, G. Zichichi, A. Aghuzumtsyan, G. Bartsch, D. Brock, I. Goers, S. Hartmann, H. Hilger, E. Jakob, H.-P. Juengst, M. Kind, O. M. Paul, E. Rautenberg, J. Renner, R. Samson, U. Schoenberg, V. Wang, M. Wlasenko, M. Brook, N. H. Heath, G. P. Morris, J. D. Namsoo, T. Capua, M. Fazio, S. Mastroberardino, A. Schioppa, M. Susinno, G. Tassi, E. Kim, J. Y. Ma, K. J. Ibrahim, Z. A. Kamaluddin, B. Abdullah, W. A. T. Wan Ning, Y. Ren, Z. Sciulli, F. Chwastowski, J. Eskreys, A. Figiel, J. Galas, A. Gil, M. Olkiewicz, K. Stopa, P. Zawiejski, L. Adamczyk, L. Bold, T. Grabowska-Bold, I. Kisielewska, D. Lukasik, J. Przybycien, M. Suszycki, L. Kotanski, A. Slominski, W. Adler, V. Behrens, U. Bloch, I. Bonato, A. Borras, K. Coppola, N. Fourletova, J. Geiser, A. Gladkov, D. Goettlicher, P. Gregor, I. Gutsche, O. Haas, T. Hain, W. Horn, C. Kahle, B. Koetz, U. Kowalski, H. Lim, H. Lobodzinska, E. Loehr, B. Mankel, R. Melzer-Pellmann, I.-A. Montanari, A. Nguyen, C. N. Notz, D. Nuncio-Quiroz, A. E. Santamarta, R. Schneekloth, U. Spiridonov, A. Stadie, H. Stoesslein, U. Szuba, D. Szuba, J. Theedt, T. Watt, G. Wolf, G. Wrona, K. Youngman, C. Zeuner, W. Schlenstedt, S. Barbagli, G. Gallo, E. Pelfer, P. G. Bamberger, A. Dobur, D. Karstens, F. Vlasov, N. N. Bussey, P. J. Doyle, A. T. Dunne, W. Ferrando, J. Saxon, D. H. Skillicorn, I. O. Gialas, I. Gosau, T. Holm, U. Klanner, R. Lohrmann, E. Salehi, H. Schleper, P. Schoerner-Sadenius, T. Sztuk, J. Wichmann, K. Wick, K. Foudas, C. Fry, C. Long, K. R. Tapper, A. D. Kataoka, M. Matsumoto, T. Nagano, K. Tokushuku, K. Yamada, S. Yamazaki, Y. Barakbaev, A. N. Boos, E. G. Dossanov, A. Pokrovskiy, N. S. Zhautykov, B. O. Son, D. De Favereau, J. Piotrzkowski, K. Barreiro, F. Glasman, C. Jimenez, M. Labarga, L. del Peso, J. Ron, E. Terron, J. Zambrana, M. Corriveau, F. Liu, C. Walsh, R. Zhou, C. Tsurugai, T. Antonov, A. Dolgoshein, B. A. Rubinsky, I. Sosnovtsev, V. Stifutkin, A. Suchkov, S. Dementiev, R. K. Ermolov, P. F. Gladilin, L. K. Katkov, I. I. Khein, L. A. Korzhavina, I. A. Kuzmin, V. A. Levchenko, B. B. Lukina, O. Yu. Proskuryakov, A. S. Shcheglova, L. M. Zotkin, D. S. Zotkin, S. A. Abt, I. Buettner, C. Caldwell, A. Kollar, D. Schmidke, W. B. Sutiak, J. Grigorescu, G. Keramidas, A. Eman, E. K. . Kooijman, P. Pellegrino, A. Tiecke, H. Vazquez, M. Wiggers, L. Bruemmer, N. Bylsma, B. Durkin, L. S. Lee, A. Ling, T. Y. Allfrey, P. D. Bell, M. A. Cooper-Sarkar, A. M. Cottrell, A. Devenish, R. C. E. Foster, B. Gwenlan, C. Korcsak-Gorzo, K. Patel, S. Roberfroid, V. Robertson, A. Straub, P. B. Uribe-Estrada, C. Walczak, R. Bellan, P. Bertolin, A. Brugnera, R. Carlin, R. Ciesielski, R. Dal Corso, F. Dusini, S. Garfagnini, A. Limentani, S. Longhin, A. Stanco, L. Turcato, M. Oh, B. Y. Raval, A. Ukleja, J. Whitmore, J. J. Iga, Y. D'Agostini, G. Marini, G. Nigro, A. Cole, J. E. Hart, J. C. Abramowicz, H. Gabareen, A. Ingbir, R. Kananov, S. Levy, A. Kuze, M. Hori, R. Kagawa, S. Shimizu, S. Tawara, T. Hamatsu, R. Kaji, H. Kitamura, S. Ota, O. Ri, Y. D. Ferrero, M. I. Monaco, V. Sacchi, R. Solano, A. Arneodo, M. Ruspa, M. Fourletov, S. Martin, J. F. Boutle, S. K. Butterworth, J. M. Hall-Wilton, R. Jones, T. W. Loizides, J. H. Sutton, M. R. Targett-Adams, C. Wing, M. Brzozowska, B. Ciborowski, J. Grzelak, G. Kulinski, P. Luzniak, P. Malka, J. Nowak, R. J. Pawlak, J. M. Tymieniecka, T. Ukleja, A. Zarnecki, A. F. Adamus, M. Plucinski, P. Eisenberg, Y. Giller, I. Hochman, D. Karshon, U. Rosin, M. Brownson, E. Danielson, T. Everett, A. Kcira, D. Reeder, D. D. Ryan, P. Savin, A. A. Smith, W. H. Wolfe, H. Bhadra, S. Catterall, C. D. Cui, Y. Hartner, G. Menary, S. Noor, U. Soares, M. Standage, J. Whyte, J. TI Measurement of azimuthal asymmetries in neutral current deep inelastic scattering at HERA SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID CENTRAL TRACKING DETECTOR; LEPTON-PROTON-SCATTERING; ZEUS BARREL CALORIMETER; MONTE-CARLO GENERATOR; PARTON DISTRIBUTIONS; ENERGY-FLOW; INCLUSIVE LEPTOPRODUCTION; GLOBAL ANALYSIS; CONSTRUCTION; DESIGN AB The distribution of the azimuthal angle of charged and neutral hadrons relative to the lepton plane has been studied for neutral current deep inelastic ep scattering using an integrated luminosity of 45 pb(-1) taken with the ZEUS detector. The kinematic range is 100 < Q(2) < 8000 GeV2, 0.2 < y < 0.8 and 0.01 < x < 0.1 where Q(2) is the virtuality of the exchanged boson, y is the inelasticity and x is the Bjorken variable. The measurements were made in the hadronic centre-of-mass system. The analysis exploits the energy-flow method, which allows the measurement to be made over a larger range of pseudorapidity compared to previous results. The dependence of the moments of the azimuthal distributions on the pseudorapidity and minimum transverse energy of the. final-state hadrons are presented. Although the predictions from next-to-leading-order QCD describe the data better than do the Monte Carlo models incorporating leading-logarithm parton showers, they still fail to describe the magnitude of the asymmetries. This suggests that higher-order calculations may be necessary to describe these data. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Humboldt Univ, Inst Phys, Berlin, Germany. 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. Univ Malaya, Jabatan Fiz, Kuala Lumpur 50603, Malaysia. Columbia Univ, Nevis Labs, New York, NY 10027 USA. Polish Acad Sci, H Niewodniczanski Inst Nucl Phys, Krakow, Poland. AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY, 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, Greece. Univ Hamburg, Inst Expt Phys, Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. Natl Lab High Energy Phys, KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki 305, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. 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. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Univ Amsterdam, Amsterdam, Netherlands. NIKHEF H, NL-1009 DB 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. Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. Univ Turin, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Piemonte Orientale, 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. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. Inst Theoret & Expt Phys, Moscow 117259, Russia. INP, Krakow, Poland. RP Chekanov, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM corradi@mail.desy.de RI De Pasquale, Salvatore/B-9165-2008; dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; Wing, Matthew/C-2169-2008; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Doyle, Anthony/C-5889-2009; Ferrando, James/A-9192-2012; Gladilin, Leonid/B-5226-2011; Levchenko, B./D-9752-2012; Wiggers, Leo/B-5218-2015; Tassi, Enrico/K-3958-2015; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012 OI De Pasquale, Salvatore/0000-0001-9236-0748; dusini, stefano/0000-0002-1128-0664; Watt, Graeme/0000-0003-0775-6604; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Longhin, Andrea/0000-0001-9103-9936; Gutsche, Oliver/0000-0002-8015-9622; Raval, Amita/0000-0003-0164-4337; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Gladilin, Leonid/0000-0001-9422-8636; Wiggers, Leo/0000-0003-1060-0520; NR 48 TC 11 Z9 11 U1 0 U2 3 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. 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C PD JUL PY 2007 VL 51 IS 2 BP 289 EP 299 DI 10.1140/epjc/s10052-007-0310-y PG 11 WC Physics, Particles & Fields SC Physics GA 193GG UT WOS:000248261900003 ER PT J AU Chekanov, S Derrick, M Magill, S Musgrave, B Nicholass, D Repond, J Yoshida, R Mattingly, MCK Jechow, M Pavel, N Molina, AGY Antonelli, S Antonioli, P Bari, G Basile, M Bellagamba, L Bindi, M Boscherini, D Bruni, A Bruni, G Cifarelli, L Cindolo, F Contin, A Corradi, M De Pasquale, S Iacobucci, G Margotti, A Nania, R Polini, A Sartorelli, G Zichichi, A Bartsch, D Brock, I Goers, S Hartmann, H Hilger, E Jakob, HP Jungst, M Kind, OM Paul, E Renner, R Samson, U Schonberg, V Shehzadi, R Wlasenko, M Brook, NH Heath, GP Morris, JD Namsoo, T Capua, M Fazio, S Mastroberardino, A Schioppa, M Susinno, G Tassi, E Kim, JY Ma, KJ Ibrahim, ZA Kamaluddin, B Abdullah, WATW Ning, Y Ren, Z Sciulli, F Chwastowski, J Eskreys, A Figiel, J Galas, A Gil, M Olkiewicz, K Stopa, P Zawiejski, L Adamczyk, L Bold, T Grabowska-Bold, I Kisielewska, D Lukasik, J Przybycien, M Suszycki, L Kotanski, A Slominski, W Adler, V Behrens, U Bloch, I Blohm, C Bonato, A Borras, K Ciesielski, R Coppola, N Dossanov, A Drugakov, V Fourletova, J Geiser, A Gladkov, D Gottlicher, P Gregor, I Haas, T Hain, W Horn, C Kahle, B Katkov, II Klein, U Kotz, U Kowalski, H Lobodzinska, E Lohr, B Mankel, R Melzer-Pellmann, IA Miglioranzi, S Montanari, A Notz, D Nuncio-Quiroz, AE Rinaldi, L Rubinsky, I Santamarta, R Schneekloth, U Spiridonov, A Stadie, H Szuba, D Szuba, J Theedt, T Wolf, G Wrona, K Youngman, C Zeuner, W Lohmann, W Schlenstedt, S Barbagli, G Gallo, E Pelfer, PG Bamberger, A Dobur, D Karstens, F Vlasov, NN Bussey, PJ Doyle, AT Dunne, W Ferrando, J Forrest, M Saxon, DH Skillicorn, IO Gialas, I Papageorgiu, K Gosau, T Holm, U Klanner, R Lohrmann, E Salehi, H Schleper, P Schorner-Sadenius, T Sztuk, J Wichmann, K Wick, K Foudas, C Fry, C Long, KR Tapper, AD Kataoka, M Matsumoto, T Nagano, K Tokushuku, K Yamada, S Yamazaki, Y Barakbaev, AN Boos, EG Pokrovskiy, NS Zhautykov, BO Son, D de Favereau, J Piotrzkowski, K Barreiro, F Glasman, C Jimenez, M Labarga, L del Peso, J Ron, E Soares, M Terron, J Zambrana, M Corriveau, F Liu, C Walsh, R Zhou, C Tsurugai, T Antonov, A Dolgoshein, BA Sosnovtsev, V Stifutkin, A Suchkov, S Dementiev, RK Ermolov, PF Gladilin, LK Khein, LA Korzhavina, IA Kuzmin, VA Levchenko, BB Lukina, OY Proskuryakov, AS Shcheglova, LM Zotkin, DS Zotkin, SA Abt, I Buttner, C Caldwell, A Kollar, D Schmidke, WB Sutiak, J Grigorescu, G Keramidas, A Eman, EK Kooijman, P Pellegrino, A Tiecke, H Vazquez, M Wiggers, L Brummer, N Bylsma, B Durkin, LS Lee, A Ling, TY Allfrey, PD Bell, MA Cooper-Sarkar, AM Cottrell, A Devenish, RCE Foster, B Korcsak-Gorzo, K Patel, S Roberfroid, V Robertson, A Straub, PB Uribe-Estrada, C Walczak, R Bellan, P Bertolin, A Brugnera, R Carlin, R Dal Corso, F Dusini, S Garfagnini, A Limentani, S Longhin, A Stanco, L Turcato, M Oh, BY Raval, A Ukleja, J Whitmore, JJ Iga, Y D'Agostini, G Marini, G Nigro, A Cole, JE Hart, JC Abramowicz, H Gabareen, A Ingbir, R Kananov, S Levy, A Kuze, M Maeda, J Hori, R Kagawa, S Okazaki, N Shimizu, S Tawara, T Hamatsu, R Kaji, H Kitamura, S Ota, O Ri, YD Ferrero, MI Monaco, V Sacchi, R Solano, A Arneodo, M Ruspa, M Fourletov, S Martin, JF Boutle, SK Butterworth, JM Gwenlan, C Jones, TW Loizides, JH Sutton, MR Wing, M Brzozowska, B Ciborowski, J Grzelak, G Kulinski, P Zniak, PL Malka, J Nowak, RJ Pawlak, JM Tymieniecka, T Ukleja, A Zarnecki, AF Adamus, M Plucinski, P Eisenberg, Y Giller, I Hochman, D Karshon, U Rosin, M Brownson, E Danielson, T Everett, A Kcira, D Reeder, DD Ryan, P Savin, AA Smith, WH Wolfe, H Bhadra, S Catterall, CD Cui, Y Hartner, G Menary, S Noor, U Standage, J Whyte, J AF Chekanov, S. Derrick, M. Magill, S. Musgrave, B. Nicholass, D. Repond, J. Yoshida, R. Mattingly, M. C. K. Jechow, M. Pavel, N. Molina, A. G. Yagues Antonelli, S. Antonioli, P. Bari, G. Basile, M. Bellagamba, L. Bindi, M. Boscherini, D. Bruni, A. Bruni, G. Cifarelli, L. Cindolo, F. Contin, A. Corradi, M. De Pasquale, S. Iacobucci, G. Margotti, A. Nania, R. Polini, A. Sartorelli, G. Zichichi, A. Bartsch, D. Brock, I. Goers, S. Hartmann, H. Hilger, E. Jakob, H.-P. Juengst, M. Kind, O. M. Paul, E. Renner, R. Samson, U. Schoenberg, V. Shehzadi, R. Wlasenko, M. Brook, N. H. Heath, G. P. Morris, J. D. Namsoo, T. Capua, M. Fazio, S. Mastroberardino, A. Schioppa, M. Susinno, G. Tassi, E. Kim, J. Y. Ma, K. J. Ibrahim, Z. A. Kamaluddin, B. Abdullah, W. A. T. Wan Ning, Y. Ren, Z. Sciulli, F. Chwastowski, J. Eskreys, A. Figiel, J. Galas, A. Gil, M. Olkiewicz, K. Stopa, P. Zawiejski, L. Adamczyk, L. Bold, T. Grabowska-Bold, I. Kisielewska, D. Lukasik, J. Przybycien, M. Suszycki, L. Kotanski, A. Slominski, W. Adler, V. Behrens, U. Bloch, I. Blohm, C. Bonato, A. Borras, K. Ciesielski, R. Coppola, N. Dossanov, A. Drugakov, V. Fourletova, J. Geiser, A. Gladkov, D. Goettlicher, P. Gregor, I. Haas, T. Hain, W. Horn, C. Kahle, B. Katkov, I. I. Klein, U. Koetz, U. Kowalski, H. Lobodzinska, E. Loehr, B. Mankel, R. Melzer-Pellmann, I.-A. Miglioranzi, S. Montanari, A. Notz, D. Nuncio-Quiroz, A. E. Rinaldi, L. Rubinsky, I. Santamarta, R. Schneekloth, U. Spiridonov, A. Stadie, H. Szuba, D. Szuba, J. Theedt, T. Wolf, G. Wrona, K. Youngman, C. Zeuner, W. Lohmann, W. Schlenstedt, S. Barbagli, G. Gallo, E. Pelfer, P. G. Bamberger, A. Dobur, D. Karstens, F. Vlasov, N. N. Bussey, P. J. Doyle, A. T. Dunne, W. Ferrando, J. Forrest, M. Saxon, D. H. Skillicorn, I. O. Gialas, I. Papageorgiu, K. Gosau, T. Holm, U. Klanner, R. Lohrmann, E. Salehi, H. Schleper, P. Schoerner-Sadenius, T. Sztuk, J. Wichmann, K. Wick, K. Foudas, C. Fry, C. Long, K. R. Tapper, A. D. Kataoka, M. Matsumoto, T. Nagano, K. Tokushuku, K. Yamada, S. Yamazaki, Y. Barakbaev, A. N. Boos, E. G. Pokrovskiy, N. S. Zhautykov, B. O. Son, D. de Favereau, J. Piotrzkowski, K. Barreiro, F. Glasman, C. Jimenez, M. Labarga, L. del Peso, J. Ron, E. Soares, M. Terron, J. Zambrana, M. Corriveau, F. Liu, C. Walsh, R. Zhou, C. Tsurugai, T. Antonov, A. Dolgoshein, B. A. Sosnovtsev, V. Stifutkin, A. Suchkov, S. Dementiev, R. K. Ermolov, P. F. Gladilin, L. K. Khein, L. A. Korzhavina, I. A. Kuzmin, V. A. Levchenko, B. B. Lukina, O. Yu. Proskuryakov, A. S. Shcheglova, L. M. Zotkin, D. S. Zotkin, S. A. Abt, I. Buettner, C. Caldwell, A. Kollar, D. Schmidke, W. B. Sutiak, J. Grigorescu, G. Keramidas, A. Eman, E. K. Kooijman, P. Pellegrino, A. Tiecke, H. Vazquez, M. Wiggers, L. Bruemmer, N. Bylsma, B. Durkin, L. S. Lee, A. Ling, T. Y. Allfrey, P. D. Bell, M. A. Cooper-Sarkar, A. M. Cottrell, A. Devenish, R. C. E. Foster, B. Korcsak-Gorzo, K. Patel, S. Roberfroid, V. Robertson, A. Straub, P. B. Uribe-Estrada, C. Walczak, R. Bellan, P. Bertolin, A. Brugnera, R. Carlin, R. Dal Corso, F. Dusini, S. Garfagnini, A. Limentani, S. Longhin, A. Stanco, L. Turcato, M. Oh, B. Y. Raval, A. Ukleja, J. Whitmore, J. J. Iga, Y. D'Agostini, G. Marini, G. Nigro, A. Cole, J. E. Hart, J. C. Abramowicz, H. Gabareen, A. Ingbir, R. Kananov, S. Levy, A. Kuze, M. Maeda, J. Hori, R. Kagawa, S. Okazaki, N. Shimizu, S. Tawara, T. Hamatsu, R. Kaji, H. Kitamura, S. Ota, O. Ri, Y. D. Ferrero, M. I. Monaco, V. Sacchi, R. Solano, A. Arneodo, M. Ruspa, M. Fourletov, S. Martin, J. F. Boutle, S. K. Butterworth, J. M. Gwenlan, C. Jones, T. W. Loizides, J. H. Sutton, M. R. Wing, M. Brzozowska, B. Ciborowski, J. Grzelak, G. Kulinski, P. Zniak, P. L. . Malka, J. Nowak, R. J. Pawlak, J. M. Tymieniecka, T. Ukleja, A. Zarnecki, A. F. Adamus, M. Plucinski, P. Eisenberg, Y. Giller, I. Hochman, D. Karshon, U. Rosin, M. Brownson, E. Danielson, T. Everett, A. Kcira, D. Reeder, D. D. Ryan, P. Savin, A. A. Smith, W. H. Wolfe, H. Bhadra, S. Catterall, C. D. Cui, Y. Hartner, G. Menary, S. Noor, U. Standage, J. Whyte, J. TI Diffractive photoproduction of D*(+/-) (2010) at HERA SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID DEEP-INELASTIC-SCATTERING; CENTRAL TRACKING DETECTOR; PHYSICS EVENT GENERATION; ZEUS BARREL CALORIMETER; HEAVY FLAVOR PRODUCTION; LARGE RAPIDITY GAP; PARTON DISTRIBUTIONS; CROSS-SECTIONS; EP-COLLISIONS; PERTURBATION-THEORY AB Diffractive photoproduction of D*(+/-)(2010) mesons was measured with the ZEUS detector at the ep collider HERA, using an integrated luminosity of 78.6 pb(-1). The D* mesons were reconstructed in the kinematic range: transverse momentum p(T)(D*) > 1.9 GeV and pseudorapidity |eta( D*)| < 1.6, using the decay D*(+) -> D-0 pi(+)(s) followed by D-0 -> K- pi(+)(+c.c.). Diffractive events were identi. ed by a large gap in pseudorapidity between the produced hadronic state and the outgoing proton. Cross sections are reported for photon-proton centre-of-mass energies in the range 130 < W < 300 GeV and for photon virtualities Q(2) < 1 GeV2, in two ranges of the Pomeron fractional momentum x(IP) < 0.035 and x(IP) < 0.01. The relative contribution of di. ractive events to the inclusive D*(+/-) (2010) photoproduction cross section is about 6%. The data are in agreement with perturbative QCD calculations based on various parameterisations of di. ractive parton distribution functions. The results are consistent with di. ractive QCD factorisation. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Andrews Univ, Berrien Springs, MI 49104 USA. Humboldt Univ, Dept Phys, Berlin, Germany. 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. Chonnam Natl Univ, Kwangju, South Korea. Univ Malaya, Jabatan Fiz, Kuala Lumpur 50603, Malaysia. Columbia Univ, Nevis Labs, New York, NY 10027 USA. Polish Acad Sci, H Niewodniczanski Inst Nucl Phys, Krakow, Poland. AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. Jagiellonian Univ, Dept Phys, Krakow, Poland. DESY, D-2000 Hamburg, Germany. DESY, 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, Greece. Univ Hamburg, Inst Expt Phys, Hamburg, Germany. Univ London Imperial Coll Sci Technol & Med, High Energy Nucl Phys Grp, London, England. Natl Lab High Energy Phys, KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki 305, Japan. Minist Educ & Sci Kazakhstan, Inst Phys & Technol, Alma Ata, Kazakhstan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu, South Korea. Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. 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. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Univ Amsterdam, Amsterdam, Netherlands. NIKHEF H, NL-1009 DB 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. Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. Tel Aviv Univ, Sch Phys, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Univ Tokyo, Dept Phys, Tokyo 113, Japan. Tokyo Metropolitan Univ, Dept Phys, Tokyo, Japan. Univ Turin, Turin, Italy. Ist Nazl Fis Nucl, I-10125 Turin, Italy. Univ Piemonte Orientale, 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. York Univ, Dept Phys, N York, ON M3J 1P3, Canada. Inst Theoret & Expt Phys, Moscow 117259, Russia. INP, Krakow, Poland. Univ Lodz, PL-90131 Lodz, Poland. RP Chekanov, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Tassi, Enrico/K-3958-2015; dusini, stefano/J-3686-2012; Capua, Marcella/A-8549-2015; WAN ABDULLAH, WAN AHMAD TAJUDDIN/B-5439-2010; Doyle, Anthony/C-5889-2009; Ferrando, James/A-9192-2012; Gladilin, Leonid/B-5226-2011; Levchenko, B./D-9752-2012; Proskuryakov, Alexander/J-6166-2012; Dementiev, Roman/K-7201-2012; Wiggers, Leo/B-5218-2015; De Pasquale, Salvatore/B-9165-2008; Wing, Matthew/C-2169-2008; IBRAHIM, ZAINOL ABIDIN/C-1121-2010; Fazio, Salvatore /G-5156-2010 OI dusini, stefano/0000-0002-1128-0664; Capua, Marcella/0000-0002-2443-6525; Arneodo, Michele/0000-0002-7790-7132; Chwastowski, Janusz/0000-0002-6190-8376; Longhin, Andrea/0000-0001-9103-9936; Doyle, Anthony/0000-0001-6322-6195; Ferrando, James/0000-0002-1007-7816; Gladilin, Leonid/0000-0001-9422-8636; Wiggers, Leo/0000-0003-1060-0520; De Pasquale, Salvatore/0000-0001-9236-0748; NR 88 TC 18 Z9 18 U1 0 U2 3 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 2007 VL 51 IS 2 BP 301 EP 315 DI 10.1140/epjc/s10052-007-0326-3 PG 15 WC Physics, Particles & Fields SC Physics GA 193GG UT WOS:000248261900004 ER PT J AU Wyrwas, RB Alvarez, MM Khoury, JT Price, RC Schaaff, TG Whetten, RL AF Wyrwas, R. B. Alvarez, M. M. Khoury, J. T. Price, R. C. Schaaff, T. G. Whetten, R. L. TI The colours of nanometric gold - Optical response functions of selected gold-cluster thiolates SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article; Proceedings Paper CT 13th International Symposium on Small Paticles and Inorganic Clusters CY JUL 23-28, 2006 CL Goteborg, SWEDEN SP Royal Swedish Acad Sci, Nobel Inst Phys, Swedish Strateg Res Fdn, Swedish Res Council ID SIMPLE METAL-CLUSTERS; SIZE; NANOPARTICLES; MOLECULES; NANOTECHNOLOGY; NANOCLUSTERS; COMPLEXES; SCALE AB A set of broad-range NIR-vis-UV optical absorption spectra, measured for selected gold-cluster thiolate compounds (GCTs, containing similar to 20 to 300 Au atoms), is consistently displayed and then analyzed within the dielectric-functions approach. The size-evolution toward 'bulk' (Au diameter > 3-nm) optical response is thereby clearly demonstrated. The emergence of apparent energy gaps, E-on, for onset of optical absorption, as well as other fine-structure, is consistent with that of a well-quantized metallic electronic structure for the compounds' cores: the onset-band's location E-on and intensity are attributed semiclassically to a circulation-frequency resonance of the Fermi-level electrons. With decreasing cluster-size, an increasing fraction of the integrated (sum-rule) intensity is 'missing' from the < 4 eV region. This might be explained by the outermost layer consisting of Au(I)thiolate complexes. C1 Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. Los Angeles Cty Sanit Dist, Div Res, Los Angeles, CA 90607 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Wyrwas, RB (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM whetten@chemistry.gatech.edu NR 29 TC 99 Z9 99 U1 1 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD JUL PY 2007 VL 43 IS 1-3 BP 91 EP 95 DI 10.1140/epjd/e2007-00117-6 PG 5 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 171YY UT WOS:000246772500023 ER PT J AU Brimicombe, PD Roberts, NW Jaradat, S Southern, C Wang, ST Huang, CC DiMasi, E Pindak, R Gleeson, HF AF Brimicombe, P. D. Roberts, N. W. Jaradat, S. Southern, C. Wang, S.-T. Huang, C.-C. DiMasi, E. Pindak, R. Gleeson, H. F. TI Deduction of the temperature-dependent structure of the four-layer intermediate smectic phase using resonant X-ray scattering SO EUROPEAN PHYSICAL JOURNAL E LA English DT Article ID LIQUID-CRYSTALS AB A binary mixture of an antiferroelectric liquid-crystal material containing a selenium atom and a highly chiral dopant is investigated using resonant X-ray scattering. This mixture exhibits a remarkably wide four-layer intermediate smectic phase, the structure of which is investigated over a temperature range of 16K. Analysis of the resonant X-ray scattering data allows accurate measurement of both the helicoidal pitch and the distortion angle as a function of temperature. The former decreases rapidly as the SmC* stop phase is approached, whilst the latter remains constant over the temperature range studied at 8 degrees +/- 3 degrees. We also observe that the senses of the helicoidal pitch and the unit cell of the repeating four-layer structure are opposite in this mixture and that there is no pitch inversion over the temperature range studied. C1 Univ Manchester, Sch Phys & Astron, Manchester M13 1PL, Lancs, England. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. RP Brimicombe, PD (reprint author), Univ Manchester, Sch Phys & Astron, Manchester M13 1PL, Lancs, England. EM helen.gleeson@manchester.ac.uk RI Roberts, Nicholas/A-5769-2010 OI Roberts, Nicholas/0000-0002-4540-6683 NR 22 TC 12 Z9 12 U1 0 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1292-8941 J9 EUR PHYS J E JI Eur. Phys. J. E PD JUL PY 2007 VL 23 IS 3 BP 281 EP 287 DI 10.1140/epje/i2007-10189-0 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 201GX UT WOS:000248820600006 PM 17641818 ER PT J AU Nauert, A Petersson, P Linne, M Dreizler, A AF Nauert, A. Petersson, P. Linne, M. Dreizler, A. TI Experimental analysis of flashback in lean premixed swirling flames: conditions close to flashback SO EXPERIMENTS IN FLUIDS LA English DT Article ID LARGE-EDDY SIMULATION; TURBULENT JET; COMBUSTION; FLOW; VELOCIMETRY; VELOCITY; VORTEX; LES AB Swirling lean premixed flames are of practical relevance due to their potential for low nitric oxide (NOx) emissions. Unfortunately, these flames have various drawbacks. One critical attribute is the possibility for flashback of the reacting flow into the nozzle. Advanced numerical simulations should be able in the future to predict the transition from stable flames to flashback. For a better understanding of the process itself and for validation of numerical simulation a well-documented generic benchmark experiment is needed. This study presents a burner configuration that has already been studied extensively in the past. By minor geometrical adaptations, and via the possibility to vary the swirl intensity in a controlled way, the transition from stable flames to flashback is now accessible to detailed characterisation using advanced laser diagnostics. In a first part of this study the different states of the flame were classified. In the second part, both a stable and a precessing flame very close to flash back were compared in terms of flow and scalar field. The variation of the swirl intensity on the flame is discussed. Because the flame is strongly influenced by its inflow conditions additional velocity measurements inside the nozzle were carried out. This is of special importance for subsequent numerical simulations to match the experimental conditions. The quantitative investigation of the flame during flashback is subjected to consecutive experiments where planar laser diagnostics at high repetition rates will be exploited. C1 Tech Univ Darmstadt, PF Energie & Kraftwerkstech, D-64287 Darmstadt, Germany. Lund Inst Technol, Dept Combust Phys, S-22100 Lund, Sweden. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Dreizler, A (reprint author), Tech Univ Darmstadt, PF Energie & Kraftwerkstech, Petersenstr 30, D-64287 Darmstadt, Germany. EM dreizler@ekt.tu-darmstadt.de NR 40 TC 22 Z9 25 U1 0 U2 9 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0723-4864 J9 EXP FLUIDS JI Exp. Fluids PD JUL PY 2007 VL 43 IS 1 BP 89 EP 100 DI 10.1007/s00348-007-0327-x PG 12 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 189DR UT WOS:000247970100007 ER PT J AU Yaka, R Biegon, A Grigoriadis, N Simeonidou, C Grigoriadis, S Alexandrovich, AG Matzner, H Schumann, J Trembovler, V Tsenter, J Shohami, E AF Yaka, Rami Biegon, Anat Grigoriadis, Nikolaos Simeonidou, Constantina Grigoriadis, Savvas Alexandrovich, Alexander G. Matzner, Henri Schumann, Johanna Trembovler, Victoria Tsenter, Jeanna Shohami, Esther TI D-cycloserine improves functional recovery and reinstates long-term potentiation (LTP) in a mouse model of closed head injury SO FASEB JOURNAL LA English DT Article DE traumatic brain injury; NMDA receptors; synaptic plasticity; BDNF ID TRAUMATIC BRAIN-INJURY; FLUID-PERCUSSION INJURY; PERIPHERAL BENZODIAZEPINE-RECEPTORS; FOCAL CEREBRAL-ISCHEMIA; EXCITATORY AMINO-ACIDS; NEUROTROPHIC FACTOR; INTRACEREBRAL MICRODIALYSIS; HIPPOCAMPAL-NEURONS; NMDA RECEPTORS; RAT-BRAIN AB Traumatic brain injury triggers a massive glutamate efflux, activation of NMDA receptor channels, and cell death. Recently, we reported that NMDA receptors in mice are down-regulated from hours to days following closed head injury (CHI), and treatment with NMDA improved recovery of motor and cognitive functions up to 14 d post-injury. Here we show that a single injection of a low dose of D-cycloserine (DCS), a partial NMDA receptor agonist, in CHI mice 24 h post-injury, resulted in a faster and greater recovery of motor and memory functions as assessed by neurological severity score and object recognition tests, respectively. Moreover, DCS treatment of CHI mice led to a significant improvement of hippocampal long-term potentiation (LTP) in the CA1 region that was completely blunted in CHI control mice. However, DCS did not improve CHI-induced impairment in synaptic glutamate release measured by paired pulse facilitation (PPF) ratio in hippocampal CA1 region. Finally, CHI-induced reduction of brain-derived neurotrophic factor (BDNF) was fully restored following DCS treatment. Since DCS is in clinical use for other indications, the present study offers a novel approach to treat human brain injury. C1 Hebrew Univ Jerusalem, Sch Pharm, Dept Pharmacol, IL-91120 Jerusalem, Israel. Brookhaven Natl Lab, Upton, NY 11973 USA. Aristotle Univ Thessaloniki, Fac Med, Dept Physiol, Thessaloniki, Greece. Hadassah Univ Hosp, Dept Neurosurg, IL-91120 Jerusalem, Israel. Hadassah Med Ctr, Dept Rehabil, IL-91120 Jerusalem, Israel. RP Yaka, R (reprint author), Hebrew Univ Jerusalem, Sch Pharm, Dept Pharmacol, POB 12065, IL-91120 Jerusalem, Israel. EM yaka@md.huji.ac.il RI yu, yan/C-2322-2012 FU NINDS NIH HHS [R01 NS 050285-01 A2] NR 53 TC 50 Z9 52 U1 1 U2 8 PU FEDERATION AMER SOC EXP BIOL PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0892-6638 J9 FASEB J JI Faseb J. PD JUL PY 2007 VL 21 IS 9 BP 2033 EP 2041 DI 10.1096/fj.06-7856com PG 9 WC Biochemistry & Molecular Biology; Biology; Cell Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics; Cell Biology GA 182JG UT WOS:000247500300013 PM 17351125 ER PT J AU Keiski, C Yip, P Koo, J Robinson, H Burrows, LL Howell, PL AF Keiski, C. Yip, P. Koo, J. Robinson, H. Burrows, L. L. Howell, P. L. TI Structural studies of AlgK: a lipoprotein required for alginate biosynthesis in Pseudomonas aeruginosa SO FEBS JOURNAL LA English DT Meeting Abstract CT 32nd Congress of the Federation-of-European-Biochemical-Societies (FEBS) CY JUL 07-12, 2007 CL Vienna, AUSTRIA SP Federat European Biochem Soc C1 [Keiski, C.; Yip, P.; Koo, J.; Howell, P. L.] Hosp Sick Children, Toronto, ON M5G 1X8, Canada. [Keiski, C.; Koo, J.; Howell, P. L.] Univ Toronto, Toronto, ON, Canada. [Robinson, H.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Burrows, L. L.] McMaster Univ, Hamilton, ON, Canada. RI Burrows, Lori/D-1142-2010 OI Burrows, Lori/0000-0003-0838-5040 NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1742-464X J9 FEBS J JI FEBS J. PD JUL PY 2007 VL 274 SU 1 BP 109 EP 109 PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 264JO UT WOS:000253283800260 ER PT J AU Fukuda, GT Peterson, PF Olander, DR Prausnitz, JM AF Fukuda, G. T. Peterson, P. F. Olander, D. R. Prausnitz, J. M. TI Thermodynamics of the LiF-NaF-BeF2 system at high temperatures SO FLUID PHASE EQUILIBRIA LA English DT Article DE flinabe; flibe; molten fluoride salts; activity coefficient; "chemical" theory of solutions ID MOLTEN BEF2-LIF SOLUTIONS; ALKALI FLUORIDE MIXTURES; ENERGY POWER-PLANT; ENTHALPIES; PRESSURES; VAPOR AB Molten mixtures of LiE NaF, and BeF2 may be useful as a liquid first wall in a fusion-energy reactor. For design, it is necessary to know the thermodynamic properties of these mixtures, in particular, the total pressure as a function of temperature and composition. For successful application inside fusion chambers, the total pressure normally should be small, on the order of 0.1 Pa or less. This work presents a simple molecular-thermodynamic model based on the "chemical" theory of solutions with corrections for physical interactions. Parameters in this model are obtained from experimental binary and ternary data reported previously. The simple model, with only a few adjustable parameters, provides a good description of the thermodynamic properties for this system. For the temperature range 600-650 degrees C at BeF2 mole fractions between 0.3 and 0.4, the total pressure is in the region 0.01-0.1 Pa. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA USA. RP Prausnitz, JM (reprint author), Univ Calif Berkeley, Dept Chem Engn, 308 Gilman Hall, Berkeley, CA 94720 USA. EM prausnit@cchem.berleley.edu NR 21 TC 7 Z9 8 U1 2 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3812 J9 FLUID PHASE EQUILIBR JI Fluid Phase Equilib. PD JUL 1 PY 2007 VL 255 IS 1 BP 1 EP 10 DI 10.1016/j.fluid.2007.01.041 PG 10 WC Thermodynamics; Chemistry, Physical; Engineering, Chemical SC Thermodynamics; Chemistry; Engineering GA 179FE UT WOS:000247274300001 ER PT J AU Palumbo, AV Tarver, JR Fagan, LA McNeilly, MS Ruther, R Fisher, LS Amonette, JE AF Palumbo, Anthony V. Tarver, Jana R. Fagan, Lisa A. McNeilly, Meghan S. Ruther, Rose Fisher, L. Suzanne Amonette, James E. TI Comparing metal leaching and toxicity from high pH, low pH, and high ammonia fly ash SO FUEL LA English DT Article DE carbon sequestration; metals; fly ash ID SOIL PHYSICAL-PROPERTIES; CARBON SEQUESTRATION; HEAVY-METALS; LEACHATE; SELENIUM; SAMPLES; RECLAMATION; AMENDMENT; EXTRACTS; MOBILITY AB Previous work with both class F and class C fly ash indicated minimal leaching from most fly ashes tested. However, the addition of NO, removal equipment might result in higher levels of ammonia in the fly ash. We have recently been testing fly ash with a wide range of pH (3.7-12.4) originating from systems with NOx removal equipment. Leaching experiments were done using dilute CaCl2 solutions in batch and columns and a batch nitric acid method. All methods indicated that the leaching of heavy metals was different in the highest ammonia sample tested and the high pH sample. However, toxicity testing with the Microtox (c) system has indicated little potential toxicity in leachates except for the fly ash at the highest pH (12.4). When the leachate from the high pH fly ash was neutralized, toxicity was eliminated. (c) 2006 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37830 USA. New Coll, Sarasota, FL 34243 USA. Tennessee Valley Author, Knoxville, TN 37995 USA. Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Palumbo, AV (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37830 USA. EM palumboav@ornl.gov RI Palumbo, Anthony/A-4764-2011; Drake, Meghan/A-6446-2011; Phillips, Jana/G-4755-2016; Ruther, Rose/I-9207-2016 OI Palumbo, Anthony/0000-0002-1102-3975; Drake, Meghan/0000-0001-7969-4823; Phillips, Jana/0000-0001-9319-2336; Ruther, Rose/0000-0002-1391-902X NR 44 TC 7 Z9 7 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 J9 FUEL JI Fuel PD JUL-AUG PY 2007 VL 86 IS 10-11 BP 1623 EP 1630 DI 10.1016/j.fuel.2006.11.018 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 189GY UT WOS:000247978600032 ER PT J AU Boehman, AL McCormick, RL AF Boehman, Andre L. McCormick, Robert L. TI Biofuels for Transportation Preface SO FUEL PROCESSING TECHNOLOGY LA English DT Editorial Material C1 [Boehman, Andre L.] Penn State Univ, University Pk, PA 16802 USA. [McCormick, Robert L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Boehman, AL (reprint author), Penn State Univ, 405 Acad Act Bldg, University Pk, PA 16802 USA. EM boehman@ems.psu.edu; Robert_McCormick@nrel.gov RI McCormick, Robert/B-7928-2011 NR 0 TC 4 Z9 4 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3820 J9 FUEL PROCESS TECHNOL JI Fuel Process. Technol. PD JUL PY 2007 VL 88 IS 7 BP 641 EP 641 DI 10.1016/j.fuproc.2007.02.007 PG 1 WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical SC Chemistry; Energy & Fuels; Engineering GA V07UV UT WOS:000207287000001 ER PT J AU McCormick, RL Ratcliff, M Moens, L Lawrence, R AF McCormick, R. L. Ratcliff, M. Moens, L. Lawrence, R. TI Several factors affecting the stability of biodiesel in standard accelerated tests SO FUEL PROCESSING TECHNOLOGY LA English DT Article DE Biodiesel; Oxidation; Stability; Fatty acid methyl esters AB This study examined factors impacting the stability of biodiesel (B100) samples collected as part of a 2004 nationwide fuel quality survey in the United States. Biodiesel is significantly less stable than petroleum diesel, so an understanding of the chemical and environmental factors affecting its degradation is required. The survey included samples produced from soy, waste oils, and tallow. The 27 samples were assessed for stability using the ASTM D2274 test for insoluble formation and the OSI method (via Rancimat apparatus) for induction time. Additionally, the samples were characterized for fatty acid make up, relative antioxidant content, metals content, and total glycerin content (free glycerin plus glycerin bound as mono-, di-, and triglycerides). For the samples examined here the polyunsaturated content (or oxidizability) has the largest impact on both increasing insoluble formation and reducing induction time. However, the formation of insolubles is also measurably decreased by increasing relative antioxidant content and increased by increasing total glycerin content. The OSI or Rancimat induction time is also increased by increasing relative antioxidant content, as expected. (C) 2007 Elsevier B. V. All rights reserved. C1 [McCormick, R. L.; Ratcliff, M.; Moens, L.] Natl Renewable Energy Lab, Golden, CO 80027 USA. [Lawrence, R.] Magellan Midstream Partners LLC, Lab Serv, Kansas City, KS 66115 USA. RP McCormick, RL (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd,MS1633, Golden, CO 80027 USA. EM robert_mccormick@nrel.gov RI McCormick, Robert/B-7928-2011 NR 22 TC 129 Z9 134 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3820 J9 FUEL PROCESS TECHNOL JI Fuel Process. Technol. PD JUL PY 2007 VL 88 IS 7 BP 651 EP 657 DI 10.1016/j.fuproc.2007.01.006 PG 7 WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical SC Chemistry; Energy & Fuels; Engineering GA V07UV UT WOS:000207287000003 ER PT J AU Ban-Weiss, GA Chen, JY Buchholz, BA Dibble, RW AF Ban-Weiss, George A. Chen, J. Y. Buchholz, Bruce A. Dibble, Robert W. TI A numerical investigation into the anomalous slight NO(x) increase when burning biodiesel; A new (old) theory SO FUEL PROCESSING TECHNOLOGY LA English DT Article DE Biodiesel; Diesel; Emissions; NO(x); Increase; Double bond AB Biodiesel is a notable alternative to petroleum derived diesel fuel because it comes from natural domestic sources and thus reduces dependence on diminishing petroleum fuel from foreign sources, it likely lowers lifecycle greenhouse gas emissions, and it lowers an engine's emission of most pollutants as compared to petroleum derived diesel. However, the use of biodiesel often slightly increases a diesel engine's emission of smog forming nitrogen oxides (NO(x)) relative to petroleum diesel. In this paper, previously proposed theories for this slight NO(x) increase are reviewed, including theories based on biodiesel's cetane number, which leads to differing amounts of charge preheating, and theories based on the fuel's bulk modulus, which affects injection timing. This paper proposes an additional theory for the slight NO(x) increase of biodiesel. Biodiesel typically contains more double bonded molecules than petroleum derived diesel. These double bonded molecules have a slightly higher adiabatic flame temperature, which leads to the increase in NO(x) production for biodiesel. Our theory was verified using numerical simulations to show a NO(x) increase, due to the double bonded molecules, that is consistent with observation. Further, the details of these numerical simulations show that NO(x) is predominantly due to the Zeldovich mechanism. Published by Elsevier B. V. C1 [Ban-Weiss, George A.; Chen, J. Y.; Dibble, Robert W.] Univ Calif Berkeley, Combust Anal Lab, Berkeley, CA 94720 USA. [Buchholz, Bruce A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. RP Ban-Weiss, GA (reprint author), Univ Calif Berkeley, Combust Anal Lab, 50B Hesse Hall, Berkeley, CA 94720 USA. EM georgebw@me.berkeley.edu RI Buchholz, Bruce/G-1356-2011; OI Ban-Weiss, George/0000-0001-8211-2628 NR 29 TC 137 Z9 137 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-3820 J9 FUEL PROCESS TECHNOL JI Fuel Process. Technol. PD JUL PY 2007 VL 88 IS 7 BP 659 EP 667 DI 10.1016/j.fuproc.2007.01.007 PG 9 WC Chemistry, Applied; Energy & Fuels; Engineering, Chemical SC Chemistry; Energy & Fuels; Engineering GA V07UV UT WOS:000207287000004 ER PT J AU Shmatov, ML AF Shmatov, Mikhail L. TI Assessment of potential for ion-driven fast ignition SO FUSION SCIENCE AND TECHNOLOGY LA English DT Letter ID TARGETS; FUEL C1 Tech Univ Darmstadt, GSI Darmstadt, D-64287 Darmstadt, Germany. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Shmatov, ML (reprint author), Tech Univ Darmstadt, GSI Darmstadt, Petersenstr 30, D-64287 Darmstadt, Germany. NR 9 TC 5 Z9 5 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD JUL PY 2007 VL 52 IS 1 BP 116 EP 117 PG 2 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 187CI UT WOS:000247824500008 ER PT J AU Roth, M Logan, G AF Roth, Marcus Logan, Grant TI Assessment of potential for ion-driven fast ignition - Reply SO FUSION SCIENCE AND TECHNOLOGY LA English DT Letter C1 Tech Univ Darmstadt, GSI Darmstadt, D-64287 Darmstadt, Germany. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Roth, M (reprint author), Tech Univ Darmstadt, GSI Darmstadt, Petersenstr 30, D-64287 Darmstadt, Germany. NR 2 TC 1 Z9 1 U1 0 U2 1 PU AMER NUCLEAR SOCIETY PI LA GRANGE PK PA 555 N KENSINGTON AVENUE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD JUL PY 2007 VL 52 IS 1 BP 117 EP 117 PG 1 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 187CI UT WOS:000247824500009 ER PT J AU Kim, J Bergmann, A Choo, JH Stubbs, L AF Kim, Joomyeong Bergmann, Anne Choo, Jung Ha Stubbs, Lisa TI Genomic organization and imprinting of the Peg3 domain in bovine SO GENOMICS LA English DT Article DE genomic imprinting; evolution; Peg3 domain ID ZINC-FINGER GENE; BECKWITH-WIEDEMANN-SYNDROME; HUMAN-CHROMOSOME 19Q13.4; MAMMALIAN DEVELOPMENT; ANGELMAN-SYNDROME; DISRUPTION; MECHANISMS; EVOLUTION; REGIONS; FAMILY AB Using multiple mammalian genomic sequences, we have analyzed the evolution and imprinting of several genes located in the Peg3 domain, including Mim1 (approved name, Mimt1), Usp29, Zim3, and Zfp264. A series of comparative analyses shows that the overall genomic structure of this 500-kb imprinted domain has been well maintained throughout mammalian evolution but that several lineage-specific changes have also occurred in each species. In the bovine domain, Usp29 has lost its protein-coding capability, Zim3 has been duplicated, and the expression of Zfp264 has become biallelic in brain and testis, which differs from paternal expression of mouse Zfp264 in brain. In contrast, the two transcript genes of cow, Mim1 and Usp29, both lacking protein-coding capability, are still expressed mainly from the paternal allele, indicating the imprinting of these two genes in cow. The imprinting of Mim1 and Usp29 along with Peg3 is the most evolutionarily selected feature in this imprinted domain, suggesting significant function of these three genes, either as protein-coding or as untranslated transcript genes. (c) 2007 Elsevier Inc. All rights reserved. C1 Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. Lawrence Livermore Natl Lab, Genome Biol Div, Livermore, CA 94551 USA. RP Kim, J (reprint author), Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. EM jkim@lsu.edu OI Stubbs, Lisa/0000-0002-9556-1972 FU NIGMS NIH HHS [R01 GM066225, R01 GM66225] NR 30 TC 26 Z9 29 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0888-7543 J9 GENOMICS JI Genomics PD JUL PY 2007 VL 90 IS 1 BP 85 EP 92 DI 10.1016/j.ygeno.2007.03.012 PG 8 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 187DB UT WOS:000247826400010 PM 17509818 ER EF