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Protein crystallography with spallation neutrons: collecting and processing wavelength-resolved Laue protein data

Paul Langan、G. L. Greene2004-03-12Journal of Applied Crystallography

The protein crystallography station at Los Alamos Neutron Science Center is the first to be built at a spallation neutron source. Time-of-flight methods in combination with a large electronic position-sensitive and time-sensitive detector are used in order to collect wavelength-resolved Laue diffraction data. The wave…

Protein Structure and DynamicsEnzyme Structure and FunctionBiochemical and Molecular Research

Electroactivity of Electrochemically Synthesized Poly(Aniline Boronic Acid) as a Function of pH: Role of Self-Doping

Bhavana Deore、Sarah Hachey、Michael S. Freund2004-03-12Chemistry of Materials

The influence of pH on the electrochemical behavior of electropolymerized, self-doped poly(aniline boronic acid) thin films in the presence of d -fructose has been investigated with voltammetry and potentiometry in phosphate-buffered saline solution. It was found that the complexation of boronic acid with d -fructose…

Electrochemical sensors and biosensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

Structure- and spin-dependent excitation energies and lifetimes of Si and Ge nanocrystals fromab initiocalculations

Hans‐Christian Weissker、J. Furthmüller、F. Bechstedt2004-03-12Physical Review B

We calculate spin-dependent excitation energies of Ge and Si nanocrystals by means of a $\ensuremath{\Delta}$-self-consistent-field method that considers the excitation of an electron-hole pair and thus includes the electron-hole Coulomb interaction. The method is based on local-density and local-spin-density calculat…

Quantum Dots Synthesis And PropertiesSemiconductor materials and devicesSilicon Nanostructures and Photoluminescence

Optical spectroscopy of Pr3+in M+Bi(XO4)2, M+= Li or Na and X = W or Mo, locally disordered single crystals

A. Méndez-Blas、M. Rico、В. В. Волков 等 8 位作者2004-03-12Journal of Physics Condensed Matter

NaBi(WO 4 ) 2 (NBW), NaBi(MoO 4 ) 2 (NBMo) and LiBi(MoO 4 ) 2 (LBMo) single crystals grown by the Czochralski technique have been doped up to a praseodymium concentration of in the crystal. 10 K polarized optical absorption and photoluminescence measurements have been used to determine the energy position of 32, 39 an…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Dielectric anomalies and phase transition in glycinium phosphite crystal under the influence of a transverse electric field

I. V. Stasyuk、Z. Czapla、S. Dacko 等 4 位作者2004-03-12Journal of Physics Condensed Matter

The dielectric properties of glycinium phosphite (GPI) crystals as a function of temperature and electric field magnitude are investigated. The electric field E is applied perpendicularly to the ferroelectric b -axis in the direction of hydrogen-bonded phosphite chains in the crystal (the c -axis). The shift of the pa…

Solid-state spectroscopy and crystallography

Metallomesogens Modified by Hydrogen Bonds or by Bridging GroupsNew Re-entrant Isotropic Phase

Urszula Pietrasik、Jadwiga Szydłowska、Adam Krówczyński2004-03-12Chemistry of Materials

Two series of tetradental cis -enaminoketone Ni(II) complexes with triangular mesogenic core stiffened by external ethylene or methylene units have been synthesized. One of the obtained compounds reveals a unique phase sequence: Iso−Col h −Iso re . The enormously stable Col h phase has been detected for metallomesogen…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryForce Microscopy Techniques and Applications

Ab initioprotein phasing: the Patterson deconvolution method inSIR2002

M. C. Burla、Rocco Caliandro、Benedetta Carrozzini 等 7 位作者2004-03-12Journal of Applied Crystallography

An automated Patterson deconvolution technique, based on the minimum superposition function, has been implemented into the SIR2002 package, a program for the ab initio determination of small and large molecules. The procedure, combined with the direct-space phase refinement routines present in the SIR2002 program, has…

Protein Structure and DynamicsEnzyme Structure and FunctionHemoglobin structure and function

Electronic structure studies ofV6O13by soft x-ray emission spectroscopy: Band-like and excitonic vanadium states

Thorsten Schmitt、Anirudha Ghosh、Masakazu Matsubara 等 12 位作者2004-03-12Physical Review B

Resonant soft x-ray emission (SXE) spectra of the mixed valence vanadium oxide ${\mathrm{V}}_{6}{\mathrm{O}}_{13}$ have been recorded for a series of excitation energies across the V $L$-absorption band. Resonant excitation allows one to distinguish between charge neutral low-energy excitations and continuum-excited,…

Magnetic and transport properties of perovskites and related materialsTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

Parallel and Perpendicular Orientations Observed in Shear Aligned SCA Liquid Crystal of Main-Chain Polyester

Masatoshi Tokita、K. Tokunaga、Shin-ichiro Funaoka 等 5 位作者2004-03-12Macromolecules

Shear alignment behavior was examined for smectic CA (S CA ) phase of main-chain BB-5(3-Me) polyester using a cone-and-plate fixture. In the smectic temperature region from 100 to 140 °C, two distinct orientations have been identified by wide-angle X-ray diffraction. At temperatures lower than 130 °C, the smectic laye…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsBlock Copolymer Self-Assembly

Photoemission and x-ray absorption spectroscopy study of electron-doped colossal magnetoresistive manganiteLa0.7Ce0.3MnO3films

Sang Wook Han、J. S. Kang、K. H. Kim 等 14 位作者2004-03-12Physical Review B

The electronic structure of ${\mathrm{La}}_{0.7}{\mathrm{Ce}}_{0.3}{\mathrm{MnO}}_{3}$ (LCeMO) thin films has been investigated using photoemission spectroscopy (PES) and x-ray absorption spectroscopy (XAS). The Ce $3d$ core-level PES and XAS spectra of LCeMO are very similar to those of ${\mathrm{CeO}}_{2},$ indicati…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsAdvanced Condensed Matter Physics

Density Functional Theory Investigations of the Direct Oxidation of Methane on an Fe-Exchanged Zeolite

WanZhen Liang、Alexis T. Bell、Martin Head‐Gordon 等 4 位作者2004-03-12The Journal of Physical Chemistry B

The reactions of methane with [FeO 2 ] + and [OFeO)] + cations exchanged into ZSM-5 have been investigated using density functional theory. Experimental evidence for the latter cation has recently been reported on the basis of EXAFS experiments performed on Fe−ZSM-5 with Fe/Al = 0.17−0.80. Of the two iron-containing s…

Catalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsFree Radicals and Antioxidants

Block Copolymer Domain Reorientation in an Electric Field: An in-Situ Small-Angle X-ray Scattering Study

Jason E. DeRouchey、Thomas Thurn‐Albrecht、Thomas P. Russell 等 4 位作者2004-03-12Macromolecules

Using in-situ small-angle X-ray scattering, the electric field induced orientation of symmetric block copolymers of polystyrene and polyisoprene was investigated. Alignment of the lamellar microdomains parallel to the electric field was achieved within minutes to a high degree of orientation. Analysis of the scatterin…

Advanced Polymer Synthesis and CharacterizationRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Electro-Optics of Bipolar Nematic Liquid Crystal Droplets

Alberto Fernández‐Nieves、Darren R. Link、D. Rudhardt 等 4 位作者2004-03-12Physical Review Letters

We directly visualize the response and relaxation dynamics of bipolar nematic liquid crystal droplets to an applied electric field E. Despite strong planar anchoring, there is no critical field for switching. Instead, upon application of E, the surface region first reorients, followed by movement of the disclinations…

Liquid Crystal Research AdvancementsNonlinear Dynamics and Pattern FormationPlant Reproductive Biology

Electrochemical gating of individual single-wall carbon nanotubes observed by electron transport measurements and resonant Raman spectroscopy

Stephen B. Cronin、Ryan Barnett、M. Tinkham 等 9 位作者2004-03-12Applied Physics Letters

Metal electrodes patterned lithographically on top of individual single-wall carbon nanotubes are used to gate the nanotubes with respect to a reference electrode in an electrolyte drop. The gating is found to have a dramatic effect on both the Raman spectra and electron transport of the nanotubes. Current through met…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Stimulated emission in a nanostructured silicon pn junction diode using current injection

M. J. Chen、Jia-Liang Yen、Jiawei Li 等 6 位作者2004-03-12Applied Physics Letters

Stimulated emission at bandgap energy of 1.1 eV was observed in a silicon nanostructured pn junction diode using current injection at room temperature. Nonuniform diffusion using spin-on boron dopant mixed with silicon dioxide nanoparticles was used to fabricate the device. The spatial confinement of carriers through…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

First Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential Inversion

Toyohiko Nishiumi、Y. Chimoto、Yuki Hagiwara 等 5 位作者2004-03-12Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTFirst Redox Polymer Bearing One-Step Successive Two-Electron-Transfer Process Based on Redox Potential InversionToyohiko Nishiumi, Yuya Chimoto, Yuki Hagiwara, Masayoshi Higuchi, and Kimihisa YamamotoView Author Information Department of Chemistry, Faculty of Science & Technolo…

Electrochemical sensors and biosensorsConducting polymers and applicationsElectrochemical Analysis and Applications

Electrical conductivity of hollow polyaniline microspheres synthesized by a self-assembly method

Yun‐Ze Long、Zhaojia Chen、Yongjun Ma 等 9 位作者2004-03-12Applied Physics Letters

In this letter, we report the electrical properties of hollow polyaniline (PANI) microspheres. β-naphthalene sulfonic acid (NSA) and salicylic acid (SA) doped PANI microspheres were synthesized by a self-assembly method. The room-temperature conductivity is 8.6×10−2 S/cm for PANI–NSA microspheres (0.8–2 μm in outer di…

Organic Electronics and PhotovoltaicsAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Crystallinity and Photocatalytic Activity of TiO2 Films Deposited by Reactive Sputtering Using Various Magnetic Field Strengths

Pung Keun Song、Yukiko Irie、Shingo Ohno 等 5 位作者2004-03-12Japanese Journal of Applied Physics

TiO 2 films were deposited by r.f. reactive magnetron sputtering on nonalkali glass without substrate heating using a 3-inch-φ magnetron cathode with various magnetic field strengths (MFS, 150–1000 G) and shapes (balanced or unbalanced) at a total gas pressure of 1.0 or 3.0 Pa. The crystallinity and photocatalytic act…

TiO2 Photocatalysis and Solar CellsZnO doping and propertiesGas Sensing Nanomaterials and Sensors

NO and NO2 Adsorption on Terrace, Step, and Corner Sites of the BaO Surface from DFT Calculations

María M. Branda、Cristiana Di Valentin、Gianfranco Pacchioni2004-03-12The Journal of Physical Chemistry B

The adsorption of NO and NO 2 molecules at the BaO surface has been investigated by means of density functional theory (DFT) cluster model calculations. Regular adsorption sites at flat terraces have been compared with those on steps and corners. The properties of the adsorbed molecules have been monitored by computin…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen Reduction

Automatic classification of protein crystallization images using a curve-tracking algorithm

Marshall Bern、David Theo Goldberg、Raymond C. Stevens 等 4 位作者2004-03-12Journal of Applied Crystallography

An algorithm for automatic classification of protein crystallization images acquired from a high-throughput vapor-diffusion system is described. The classifier uses edge detection followed by dynamic-programming curve tracking to determine the drop boundary; this technique optimizes a scoring function that incorporate…

Protein Structure and DynamicsEnzyme Structure and FunctionCrystallization and Solubility Studies