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第 185082 / 193363 页 · 当前展示 3,701,621–3,701,640 / 3,867,257 条匹配结果 · 摘要仅作预览

Probing the Configurational Space of a Metalloprotein Core: An ab Initio Molecular Dynamics Study of Duo Ferro 1 Binuclear Zn Cofactor

Garegin A. Papoian、William F. DeGrado、Michael L. Klein2002-12-13Journal of the American Chemical Society

We present three theoretical models of various degree of completeness to explore the chemical phase space available to the Glu4His2Zn2 cofactor found in the four-helix bundle of de novo designed metalloprotein Duo Ferro 1. We have found that the planewave DFT geometry optimization of 94-atom Model I, which contains bo…

Metal complexes synthesis and propertiesCorrosion Behavior and InhibitionMetal-Catalyzed Oxygenation Mechanisms

Unsticking a colloidal glass, and sticking it again

Wilson C. K. Poon、Khoa N. Pham、Stefan U. Egelhaaf 等 4 位作者2002-12-13Journal of Physics Condensed Matter

We study glass formation in hard spheres with short-range attraction. The system consists of nearly-hard-sphere polymethylmethacrylate particles and non-adsorbing random-coil polystyrene which induced a depletion attraction between the particles. The experiments reveal a re-entrant glass transition and two qualitative…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesTheoretical and Computational Physics

Monte Carlo simulation of twisted nematic and supertwisted nematic liquid crystal cellsPresented at the 19th International Liquid Crystal Conference, 30 June–5 July 2002, Edinburgh, UK.

R. Memmer、Olivier Fliegans2002-12-13Physical Chemistry Chemical Physics

The orientational properties of liquid crystals in twisted nematic (TN) and supertwisted nematic (STN) cells were studied by Monte Carlo (MC) simulation depending on the strength of an external field. The liquid crystals sandwiched between planar surfaces were described by three-dimensional lattice systems of dimensio…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesPhase-change materials and chalcogenides

Infrared study of CO and 2-butenal co-adsorption on Zn modified Pt/CeO 2 –SiO 2 catalysts

Joaquín Silvestre‐Albero、Antonio Sepúlveda‐Escribano、F. Rodrı́guez-Reinoso 等 4 位作者2002-12-13Physical Chemistry Chemical Physics

Infrared spectra of CO alone and CO followed by the introduction of 2-butenal (crotonaldehyde) have been recorded for Pt/CeO2–SiO2 and Zn doped Pt/CeO2–SiO2 catalysts which had been pre-reduced at 473, 623 and 773 K. Samples treated at the highest reduction temperature showed the greatest selectivity toward the unsatu…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions

Judd–Ofelt analysis of lanthanide doped silica–PEG hybrid sol–gels

Kris Driesen、S. Fourier、Christiane Görller‐Walrand 等 4 位作者2002-12-13Physical Chemistry Chemical Physics

Lanthanide complexes of 1,10-phenanthroline (phen), 2,2′-bipyridine (bipyridyl, bpy) and dipicolinate (dpa), together with uncomplexed lanthanide ions (Ln = Nd, Sm, Dy, Ho, Er) were doped into silica–polyethylene glycol (SiO2–PEG) inorganic–organic hybrid materials. The samples were prepared via a sol–gel process. The…

Mesoporous Materials and CatalysisLanthanide and Transition Metal ComplexesPolyoxometalates: Synthesis and Applications

Catalytic combustion of chlorinated ethylenes over H‐zeolites

Rubén López‐Fonseca、Jose Ignacio Gutiérrez-Ortiz、M.A. Gutiérrez–Ortiz 等 4 位作者2002-12-13Journal of Chemical Technology & Biotechnology

Abstract Several H‐zeolites (H‐Y, H‐ZSM‐5 and H‐MOR) were investigated for the catalytic combustion of chlorinated ethylenes, namely 1,1‐dichloroethylene and trichloroethylene. Conversion was inversely related to the chlorine content of the feed molecule. H‐ZSM‐5 zeolite was the most active catalyst in 1,1‐dichloroeth…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisCatalysis and Oxidation Reactions

Depletion potentials in colloidal mixtures of spheres and rods

Roland Roth2002-12-13Journal of Physics Condensed Matter

We calculate the depletion potential between two hard spheres of radii R s and that between one hard sphere and a planar hard wall in a sea of hard rigid spherocylindrical rods of length L and radius R r . Unlike earlier studies our approach takes into account the true geometry of the problem and gives, to first order…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesThermodynamic properties of mixtures

Many-body interactions in colloidal suspensions

Jure Dobnikar、Yong Chen、Roland Rzehak 等 4 位作者2002-12-13Journal of Physics Condensed Matter

At low ionic strength the interaction between any two charged colloids in a concentrated charge-stabilized suspension is strongly influenced by the charge distributions of other colloids in the neighbourhood of the two interacting colloids. When such many-body interactions become important, a colloidal suspension can…

Material Dynamics and PropertiesSpectroscopy and Quantum Chemical StudiesElectrostatics and Colloid Interactions

Interfacial dynamics and the static profile near a single wall in a model colloid polymer mixture

Dirk G. A. L. Aarts、Julia Wiel、H. N. W. Lekkerkerker2002-12-13Journal of Physics Condensed Matter

We report measurements on gas–liquid phase-separating colloid–polymer mixtures. A horizontally placed optical microscope with long-working-distance objectives enables us to see effects of gravity on phase separation kinetics and hence see the complete phase separation from beginning to end. Furthermore, the static pro…

Phase Equilibria and ThermodynamicsPickering emulsions and particle stabilizationParticle Dynamics in Fluid Flows

DNA-Controlled Assembly of Protein-Modified Gold Nanocrystals

Stephen Cobbe、Stephen Connolly、Declan Ryan 等 6 位作者2002-12-13The Journal of Physical Chemistry B

The controlled assembly in solution of gold nanocrystals modified by attachment of complementary protein−DNA conjugates is described. The size of the aggregates formed can be controlled by the addition of single-stranded DNA, which quickly terminates the assembly process. The rate of formation of the aggregates can al…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Roles of Hydrogen and Oxygen in the Direct Nitridation of Silicon

Varong Pavarajarn、Shoichi Kimura2002-12-13Industrial & Engineering Chemistry Research

The role of hydrogen in the direct nitridation of silicon was studied in conjunction with the role of oxygen contained in both the gas and solid phases at temperatures ranging from 1150 to 1350 °C in nitrogen containing hydrogen from 0 to 10 vol %. Hydrogen prevented a protective layer, being composed of silicon dioxi…

Advanced ceramic materials synthesisSemiconductor materials and devicesMXene and MAX Phase Materials

The photoinduced Ti3 centre in SrTiO3

V. V. Laguta、M. D. Glinchuk、R. O. Kuzian 等 8 位作者2002-12-13Journal of Physics Condensed Matter

We report the results of an electron spin resonance study of Ti 3+ centres in SrTiO 3 single crystals. The Ti 3+ centres are created in perturbed regular Ti 4+ sites by trapping a photoelectron from the conduction band after ultraviolet irradiation of the sample at low temperature ( T < 180 K). The centres are stable…

Advancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides

Chromate Conversion Coatings Formation on Zinc Studied by Electrochemical and Electrohydrodynamical Impedances

Alvaro Augusto O. Magalhães、Bernard Tribollet、O.R. Mattos 等 5 位作者2002-12-13Journal of The Electrochemical Society

The formation of chromate conversion coatings on zinc was studied by chronopotentiometric, electrochemical, and electrohydrodynamic impedances, and interfacial pH measurements. The electrochemical experiments were performed with a rotating disk electrode of pure zinc, and the pH measurements were obtained with a zinc…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsElectrodeposition and Electroless Coatings

Efficient blue up-conversion luminescence of Tm3 ions in transparent oxyfluoride glass ceramics containing PbxCd1 xF2nanocrystals

Jianbei Qiu、Akira Mukai、Akio Makishima 等 4 位作者2002-12-13Journal of Physics Condensed Matter

Oxyfluoride glasses were developed in the 30SiO 2 · 15AlO 1.5 · 28PbF 2 · 22CdF 2 · (4.8 − y )GdF 3 · 0.1NdF 3 · yYbF 3 · 0.1TmF 3 ( y = 0, 0.1, 0.2, 0.5, 1, 2, 3, 4 and 4.8) composition, in mol%. X-ray diffraction analysis revealed that heat treatments of the oxyfluoride glasses cause the precipitation of (Nd 3+ , Yb…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsInorganic Fluorides and Related Compounds

Detection and wavelet analysis of partial discharges using an optical fibre interferometric sensor for high-power transformers

Horacio Lamela、C Maci -Sanahuja、J A Garc a-Souto2002-12-13Journal of Optics A Pure and Applied Optics

The main problem in power transformers is the degradation of the isolation, and partial discharges are a major contribution to this shortcoming. Partial discharges inside medium-and high-power transformers generate ultrasonic pressure waves which are usually detected by using acoustic piezoelectric sensors placed outs…

Advanced Fiber Optic SensorsHigh voltage insulation and dielectric phenomenaPower Transformer Diagnostics and Insulation

The effect of polymer charge density and charge distribution on the formation of multilayers

Ulrike Voigt、Victor Khrenov、Klaus Tauer 等 6 位作者2002-12-13Journal of Physics Condensed Matter

Polyelectrolyte multilayers which are built up by alternating adsorption of polyanions and polycations from aqueous solutions at a solid interface are investigated by reflectometry and ellipsometry. Below a degree of charge of about 70% the adsorption stops after a certain number of dipping cycles and no multilayer fo…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresForce Microscopy Techniques and Applications

Assay for the Enantiomeric Analysis of [2H1]-Fluoroacetic Acid: Insight into the Stereochemical Course of Fluorination during Fluorometabolite Biosynthesis in Streptomyces cattleya

David O’Hagan、Rebecca J. M. Goss、Abdelkrim Meddour 等 4 位作者2002-12-13Journal of the American Chemical Society

A sensitive method for the configurational analysis of (R)- and (S)-[2H1]-fluoroacetate has been developed using 2H[1H]-NMR in a chiral liquid crystalline solvent. This has enabled biosynthetic experiments to be conducted which reveal stereochemical details on biological fluorination occurring during the biosynthesis…

Analytical Chemistry and ChromatographyEnzyme Structure and FunctionBiochemical and Molecular Research

Stability of metallic foams studied under microgravity

Th W bben、H. Stanzick、John Banhart 等 4 位作者2002-12-13Journal of Physics Condensed Matter

Metal foams are prepared by mixing a metal powder and a gas-releasing blowing agent, by densifying the mix to a dense precursor and finally foaming by melting the powder compact. The foaming process of aluminium foams is monitored in situ by x-ray radioscopy. One observes that foam evolution is accompanied by film rup…

Proteins in Food SystemsPickering emulsions and particle stabilizationAeolian processes and effects

Effect of activation temperature on pore development in activated carbon produced from palm shell

Wan Mohd Ashri Wan Daud、Wan Shabuddin Wan Ali、Mohd Zaki Sulaiman2002-12-13Journal of Chemical Technology & Biotechnology

Abstract A series of experiments were conducted to investigate the effect of activation temperature on pore development of activated carbon produced from palm shell. Activation of the samples was carried out at 800, 850 and 900 °C for different durations ranging from 10 to 180 min. The samples were characterized using…

Adsorption and biosorption for pollutant removalSupercapacitor Materials and FabricationAdvanced Cellulose Research Studies