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Escher: A new docking procedure applied to the reconstruction of protein tertiary structure

Gabriele Ausiello、Gianni Cesareni、Manuela Helmer‐Citterich1997-08-01Proteins Structure Function and Bioinformatics

Evaluation of Surface Complementarity, Hydrogen bonding, and Electrostatic interaction in molecular Recognition (ESCHER) is a new docking procedure consisting of three modules that work in series. The first module evaluates the geometric complementarity and produces a set of rough solutions for the docking problem. Th…

Protein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function

Synthesis of delafossite-derived phases,RCuO2+δwithR=Y,La, Pr, Nd, Sm, and Eu, and observation of spin-gap-like behavior

Kazuyuki Isawa、Yuji Yaegashi、M. Komatsu 等 7 位作者1997-08-01Physical review. B, Condensed matter

The structural and physical properties of layered cuprates of a $R{\mathrm{CuO}}_{2}$ delafossite structure have been investigated for various rare-earth elements $R:$ Y, La, Pr, Nd, Sm, and Eu. An oxygen-rich delafossite-derived phase, $R{\mathrm{CuO}}_{2+\mathrm{\ensuremath{\delta}}}$ $(\ensuremath{\delta}>~0.5),…

Magnetic properties of thin filmsZnO doping and propertiesCopper-based nanomaterials and applications

RELEASE KINETICS OF NONEXCHANGEABLE POTASSIUM IN SOILS USING SODIUM TETRAPHENYLBORON

Albert Cox、B. C. Joern1997-08-01Soil Science

Sodium tetraphenylboron (NaBPh4) can extract both exchangeable K+ and nonexchangeable K+ held in the interlayer of phyllosilicate minerals in soils and is a potential soil test method for plant-available K+. Eleven midwestern soils were used to (i) compare the ability of various kinetic equations to model nonexchangea…

Soil and Unsaturated FlowGroundwater flow and contamination studiesClay minerals and soil interactions

Phase Relations in the Aluminum Carbide–Aluminum Nitride–Aluminum Oxide System

Caian Qiu、R. Metselaar1997-08-01Journal of the American Ceramic Society

The phase diagram of the pseudobinary Al 4 C 3 ‐AlN system was predicted using thermodynamic models. It was combined with previous thermodynamic descriptions of the pseudobinary Al4C3‐Al 2 O 3 and AlN‐Al 2 O 3 systems, and then thermodynamic properties of the pseudoternary Al 4 C 3 ‐AlN‐Al 2 O 3 system were assessed b…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesThermal Expansion and Ionic Conductivity

Homology modelling of two subtilisin-like proteases from the hyperthermophilic archaea Pyrococcus furiosus and Thermococcus stetteri

W.G.B. Voorhorst、A.H. Warner、Willem M. de Vos 等 4 位作者1997-08-01Protein Engineering Design and Selection

The hyperthermophilic archaeon Pyrococcus furiosus produces an extracellular, glycosylated hyperthermostable subtilisin-like serine protease, termed pyrolysin (Voorhorst,W.G.B., Eggen,R.I.L., Geerling,A.C.M., Platteeuw,C., Siezen,R.J. and de Vos,W.M. (1996) J. Biol. Chem., 271, 20426-20431). Based on the pyrolysin cod…

Protein Structure and DynamicsEnzyme Structure and FunctionEnzyme Production and Characterization

Measurement of the ferric diffusion coefficient in agarose and gelatine gels by utilization of the evolution of a radiation induced edge as reflected in relaxation rate images

Torje V Pedersen、Dag Rune Olsen、Arne Skretting1997-08-01Physics in Medicine and Biology

A method has been developed to determine the diffusion coefficients of ferric ions in ferrous sulphate doped gels. A radiation induced edge was created in the gel, and two spin-echo sequences were used to acquire a pair of images of the gel at different points of time. For each of these image pairs, a longitudinal rel…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsRadiation Shielding Materials Analysis

Study of the Layered Magnetoresistive Perovskite La1.2Sr1.8Mn2O7 by High-Resolution Electron Microscopy and Synchrotron X-ray Powder Diffraction

Ram Seshadri、M. Hervieu、C. Martin 等 7 位作者1997-08-01Chemistry of Materials

The layered manganite La 1.2 Sr 1.8 Mn 2 O 7 is important in that it displays giant negative magnetoresistance properties, and its study complements the growing body of what we know about the complex size−charge−temperature−magnetic field parameter space of the perovskites A III 1 - x A‘ II x MnO 3 . We report here th…

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

Electrospray Mass Spectrometry of Thiophenolate-Capped Clusters of CdS, CdSe, and ZnS and of Cadmium and Zinc Thiophenolate Complexes: Observation of Fragmentation and Metal, Chalcogenide, and Ligand Exchange Processes

Thomas Løver、William Henderson、Graham A. Bowmaker 等 5 位作者1997-08-01Inorganic Chemistry

Electrospray mass spectrometry provides a rapid, convenient technique for characterizing and studying the chemistry of anionic metal sulfide thiolate clusters. Negative-ion electrospray mass spectra have been recorded for the thiophenolate-capped clusters [Me(4)N](4)[E(4)Cd(10)(SPh)(16)] (E = S, Se), [Me(4)N](4)[S(4)Z…

Quantum Dots Synthesis And PropertiesElectrochemical Analysis and ApplicationsNanocluster Synthesis and Applications

Experimental study of Th-bearing LaPO 4 (780 degrees C, 200 MPa); implications for monazite and actinide orthophosphate stability

Renaud Podor、M. Cuney1997-08-01American Mineralogist

Other| August 01, 1997 Experimental study of Th-bearing LaPO4 (780 °C, 200 MPa); implications for monazite and actinide orthophosphate stability Renaud Podor; Renaud Podor Centre de Recherches sur la Geologie des Matieres Premieres Minerales et Energetiques, France Search for other works by this author on: GSW Google…

Radioactive element chemistry and processingNuclear Materials and PropertiesNuclear materials and radiation effects

New Efficient Dielectric and Antistatic Materials Based on Oligoaminophenols

A.V. Ragimov、Б. А. Мамедов、S. G. Gasanova1997-08-01Polymer International

New polyconjugated oligomers—oligoaminophenols—have been prepared by the oxidative polycondensation reaction of aminophenols (APs) in the presence of oxidants (H2O2, NaOCl, KOH plus O2). It has been established that the reactivity of AP increases with the series of m- < o- < p-isomers in this reaction. The oligoaminop…

Synthesis and biological activityInorganic and Organometallic ChemistrySynthesis and properties of polymers

Probing the Electronic Structure of Metallocarbohedrenes: M8C12 (M = Ti, V, Cr, Zr, Nb)

San Li、Hongbin Wu、Lai‐Sheng Wang1997-08-01Journal of the American Chemical Society

We report a systematic study of the electronic structure of the five metcars in the title using anion photoelectron spectroscopy. The electron affinities of the metcars are measured and are found to be metal dependent and increase from Ti 8 C 12 to Cr 8 C 12 . The electronic structures of Zr 8 C 12 and Nb 8 C 12 are f…

Graphene research and applicationsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials

Mathematical Modeling of Oxygen Exchange and Transport in Air‐Perovskite‐YSZ Interface Regions: I. Reduction of Intermediately Adsorbed Oxygen

Ann Mari Svensson、Svein Sunde、Kemal Nisşancioğlu1997-08-01Journal of The Electrochemical Society

The transport of oxygen in a porous perovskite solid oxide fuel cell cathode is modeled by use of the principles of porous electrode modeling, by taking into account exchange kinetics at the gas/electrode interface, bulk diffusion of oxygen vacancies, surface diffusion of adsorbed oxygen atoms, and electrochemical kin…

Electrocatalysts for Energy ConversionAdvancements in Solid Oxide Fuel CellsFuel Cells and Related Materials

Liquid Phase Hydrogenation of Maleic Anhydride and Intermediates on Copper-Based and Noble Metal Catalysts

Uwe Herrmann、Gerhard Emig1997-08-01Industrial & Engineering Chemistry Research

The liquid phase hydrogenation of maleic anhydride and intermediates was investigated using copper-based and noble metal catalysts. The experiments were performed in a stirred tank slurry reactor in discontinuous as well as continuous operation. Copper chromites and noble metal catalysts were found to be suitable for…

Catalysts for Methane ReformingCatalysis and Hydrodesulfurization StudiesCrystallization and Solubility Studies

Contact Angles of Liquid Drops on Low-Energy Solid Surfaces

Alan E. van Giessen、Dirk Jan Bukman、B. Widom1997-08-01Journal of Colloid and Interface Science

There have been many experiments that have determined the wetting behavior of liquids on low-energy solid surfaces. These experiments show that, in general, the contact angle, theta, measured through the liquid, increases with increasing liquid-vapor surface tension, sigmalv. Surprisingly, in experiments with some suc…

Surface Modification and SuperhydrophobicityFluid Dynamics and Heat Transfernanoparticles nucleation surface interactions

Ab initiomolecular-dynamics study of liquidGeSe2

Mark Cobb、D. A. Drabold1997-08-01Physical review. B, Condensed matter

The structural, vibrational, and electronic properties of liquid GeSe${}_{2}$ are investigated using ab initio molecular dynamics. The static structure factor $S(Q)$ and the pair-correlation functions of our model are in good agreement with experiment. We find many similarities between the topology of the liquid and t…

Glass properties and applicationsPhase-change materials and chalcogenidesSolid-state spectroscopy and crystallography

Photoluminescence Quenching and the Photochemical Oxidation of Porous Silicon by Molecular Oxygen

Jessica Harper、Michael J. Sailor1997-08-01Langmuir

Exposure of luminescent n-type porous Si to gaseous molecular oxygen results in reversible quenching of the visible photoluminescence associated with this material. Steady-state and time-resolved photoluminescence quenching follow a dynamic Stern−Volmer model. From the Stern−Volmer analysis, the quenching rate constan…

Semiconductor materials and devicesSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Intercalation of Halloysite: A Raman Spectroscopic Study

Ray L. Frost、János Kristóf1997-08-01Clays and Clay Minerals

Abstract Intercalates from an ordered halloysite with urea and potassium acetate were studied using Raman microscopy. The urea intercalate showed new Raman bands at 3387, 3410, 3497 and 3598 cm −1 which were attributed to the formation of a urea-Si 2 O 5 complex. New Raman bands were observed at 3585 and 3602 cm −1 fo…

Geological and Geochemical AnalysisClay minerals and soil interactionsIron oxide chemistry and applications

Crystal Structures of Chain-Folded Antiparallel β-Sheet Assemblies from Sequence-Designed Periodic Polypeptides

Mark T. Krejchi、Sharon J. Cooper、Yoshikuni Deguchi 等 7 位作者1997-08-01Macromolecules

The crystal structures and textures of a family of sequence-designed periodic polypeptides were investigated and analyzed using X-ray diffraction, vibrational spectroscopy, and cross-polarization magic angle spinning 13 C nuclear magnetic resonance. The repetitive amino acid sequences are described by −[(AG) x EG]−, w…

Insect and Arachnid Ecology and BehaviorForce Microscopy Techniques and ApplicationsSilk-based biomaterials and applications

A composite of polyaniline with both conducting and ferromagnetic functions

Meixiang Wan、Wenguang Li1997-08-01Journal of Polymer Science Part A Polymer Chemistry

A composite of polyaniline (PANI) with both conducting and ferromagnetic functions was synthesized by a chemical method proposed by the authors. For the electrical properties, its room-temperature conductivity was measured to be about 10−1 S/cm when doped with 1.0M HCl, and it is independent of the preparation conditi…

Supercapacitor Materials and FabricationElectrochemical sensors and biosensorsConducting polymers and applications

Solvothermal Co-reduction Route to the Nanocrystalline III−V Semiconductor InAs

Yadong Li、Xiangfeng Duan、Yitai Qian 等 6 位作者1997-08-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTSolvothermal Co-reduction Route to the Nanocrystalline III−V Semiconductor InAsYa-Dong Li, Xiang-Feng Duan, Yi-Tai Qian, Li Yang, Ming-Rong Ji, and Cheng-Wei LiView Author Information Structure Research Laboratory and Department of Chemistry University of Science and T…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsElectronic and Structural Properties of Oxides