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PDB_REDO: automated re-refinement of X-ray structure models in the PDB

Robbie P. Joosten、Jean Salzemann、Vincent Bloch 等 24 位作者2009-04-02Journal of Applied Crystallography

Structural biology, homology modelling and rational drug design require accurate three-dimensional macromolecular coordinates. However, the coordinates in the Protein Data Bank (PDB) have not all been obtained using the latest experimental and computational methods. In this study a method is presented for automated re…

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionEnzyme Structure and Function

Trion Decay in Colloidal Quantum Dots

Praket P. Jha、Philippe Guyot‐Sionnest2009-04-02OpenAlex

Using charged films of colloidal CdSe/CdS core/shell quantum dots of approximately 3.5 to 4.5 nm core diameters and 0.6 to 1.2 nm thick CdS shells, the radiative and nonradiative decay of the negatively charged exciton, the trion T-, are measured. The T- radiative rate is faster than the exciton by a factor of 2.2 +/-…

Quantum optics and atomic interactionsQuantum Dots Synthesis And PropertiesMolecular Junctions and Nanostructures

Dispersion and Toxicity of Selected Manufactured Nanomaterials in Natural River Water Samples: Effects of Water Chemical Composition

Jie Gao、Sejin Youn、Anna Hovsepyan 等 7 位作者2009-04-02OpenAlex

Experimental conditions that mimic likely scenarios of manufactured nanomaterials (MNs) introduction to aquatic systems were used to assessthe effect of nanoparticle dispersion/solubility and water chemical composition on MN-toxicity. Aqueous suspensions of fullerenes (C60), nanosilver (nAg), and nanocopper (nCu) were…

Fullerene Chemistry and ApplicationsNanoparticles: synthesis and applicationsCarbon Nanotubes in Composites

Chemical composition, crystallinity, and thermal degradation of bleached and unbleached kenaf bast (Hibiscus cannabinus) pulp and nanofibers

Mehdi Jonoobi、Jalaludin Harun、Alireza Shakeri 等 5 位作者2009-04-02OpenAlex

Kenaf (Hibiscus cannabinus) nanofibers were isolated from unbleached and bleached pulp by a combination of chemical and mechanical treatments. The chemical methods were based on NaOH-AQ (anthraquinone) and three-stage bleaching (DEpD) processes, whereas the mechanical techniques involved refining, cryo-crushing, and h…

Advanced Cellulose Research StudiesNatural Fiber Reinforced CompositesLignin and Wood Chemistry

Sub-10 nm Platinum Nanocrystals with Size and Shape Control: Catalytic Study for Ethylene and Pyrrole Hydrogenation

Chia‐Kuang Tsung、John N. Kuhn、Wenyu Huang 等 7 位作者2009-04-02OpenAlex

Platinum nanocubes and nanopolyhedra with tunable size from 5 to 9 nm were synthesized by controlling the reducing rate of metal precursor ions in a one-pot polyol synthesis. A two-stage process is proposed for the simultaneous control of size and shape. In the first stage, the oxidation state of the metal ion precurs…

Catalytic Processes in Materials ScienceGold and Silver Nanoparticles Synthesis and ApplicationsMesoporous Materials and Catalysis

Atomic Force and Scanning Tunneling Microscopy Imaging of Graphene Nanosheets Derived from Graphite Oxide

J.I. Paredes、S. Villar–Rodil、Pablo Solís‐Fernández 等 5 位作者2009-04-02OpenAlex

Graphene nanosheets produced in the form of stable aqueous dispersions by chemical reduction of graphene oxide and deposited onto graphite substrates have been investigated by atomic force and scanning tunneling microscopy (AFM/STM). The chemically reduced graphene oxide nanosheets were hardly distinguishable from the…

Carbon Nanotubes in CompositesMolecular Junctions and NanostructuresGraphene research and applications

PLASTIC DEFORMATION OF POLYMER INTERLAYERS DURING POST-BREAKAGE BEHAVIOR OF LAMINATED GLASS - PARTIM 1: ANALYTICAL APPROACH

Jan Belis、Didier Delincé、Dieter Callewaert 等 5 位作者2009-04-01OpenAlex

Transparent polymer interlayer foils are widely used to increase the safety of glass applications, mainly in construction and automotive industry. In case one or more glass sheets in a laminate fracture, the remaining structural capacity (i.e. stiffness and strength) highly depends on the solicitation and mechanical p…

Innovations in Concrete and Construction MaterialsPolymer Science and ApplicationsMaterial Properties and Applications

PLASTIC DEFORMATION OF POLYMER INTERLAYERS DURING POST-BREAKAGE BEHAVIOR OF LAMINATED GLASS - PARTIM 2: EXPERIMENTAL VALIDATION

Didier Delincé、Dieter Callewaert、Wesley Vanlaere 等 5 位作者2009-04-01OpenAlex

Transparent polymer interlayer foils are widely used to increase the safety of glass applications, mainly in construction and automotive industry. In case one or more glass sheets in a laminate fracture, the remaining structural capacity (i.e. stiffness and strength) highly depends on the solicitation and mechanical p…

Advanced Theoretical and Applied Studies in Material Sciences and GeometryMaterial Properties and ApplicationsPigment Synthesis and Properties

Contact corrosion of metals in aqueous-glycolic solutions with high content of water

V. N. Esenin、L. I. Denisovich2009-04-01Russian Journal of Applied Chemistry

Corrosion behavior of aluminum, steel, and cast iron in aqueous-glycolic solutions containing 5 to 50 vol % was studied both in the absence of contact and in aluminum-steel, aluminum-cast iron, steel-cast iron, and aluminum-steel-cast iron contact systems.

Material Properties and ApplicationsCorrosion Behavior and Inhibition

Fine Grained AZ31 by Conventional Thermo-Mechanical Processing

Nicole Stanford2009-04-01Materials science forum

The magnesium alloy AZ31 was processed by severe hot rolling and annealing. This processing was optimised to produce recrystallised grain sizes as small as 2.2μm. Specimens in the as-rolled condition had a grain size of 0.5μm, and exhibited a yield strength in excess of 350MPa. In the fully recrystallised condition, w…

Magnesium Alloys: Properties and ApplicationsAluminum Alloy Microstructure PropertiesAluminum Alloys Composites Properties

Na2MoO4-CaMoO4-Ce2/3MoO4 scheelite-like solid solutions

Е. С. Золотова、L. N. Trushnikova、B. M. Ayupov 等 5 位作者2009-04-01Inorganic Materials

We have studied tetragonal scheelite-like solid solutions in the ternary system Na 2 MoO 4 -CaMoO 4 -Ce 2/3 MoO 4 : Na 0.7 Ca y Ce 1.1 − 2 y /3 (MoO 4 ) 2 (0 ≤ y ≤ 0.6) and Na 0.3 Ca z Ce 1.23− 2 z /3 (MoO 4 ) 2 (0 ≤ z ≤ 1.4). The solid solutions melt congruently at temperatures from 1100 to 1200°C. Their lattice para…

Luminescence Properties of Advanced MaterialsNuclear materials and radiation effectsPigment Synthesis and Properties

SECA moves two projects to next phase

作者信息未提供2009-04-01Fuel Cells Bulletin

The US Department of Energy has selected two projects for continuation within its Solid State Energy Conversion Alliance (SECA) Program research portfolio. The projects – led by FuelCell Energy, in partnership with Versa Power Systems, and Siemens Energy – have successfully demonstrated solid oxide fuel cells designed…

Advancements in Solid Oxide Fuel Cells

Greenhouse Gas Emissions Attributable to High Pressure Die Casting

Ambavalavanar Tharumarajah、Dayalan Gunasegaram、Paul Koltun2009-04-01Materials science forum

In spite of die castings being amongst the highest volume items manufactured by the metalworking industry, the influence of high pressure die casting (HPDC) process parameters on greenhouse gas (GHG) emissions remains largely unreported. In this article, the authors discuss the effect of some HPDC process parameters o…

Corrosion Behavior and InhibitionMagnesium Alloys: Properties and ApplicationsRecycling and Waste Management Techniques

Magnetic Anisotropy in 2H-NbSe<sub>2</sub> Electron Irradiated Single Crystals

J. Bartolomé、Elena Bartolomé、V. V. Eremenko 等 6 位作者2009-04-01Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena

The anisotropic magnetic properties of the metallic layered compound with hexagonal crystal structure 2H-NbSe2 are investigated as a function of their dependence on high-energy electron irradiation. Pauli paramagnetism of free electrons is shown to dominate the magnetic susceptibility, P. The anisotropy is related to…

Iron-based superconductors researchSolid-state spectroscopy and crystallographyOrganic and Molecular Conductors Research

M-I-S-S structure based silicon and TCO

Sadia Maifi、Kahina Lagha、Fazia Boumedine 等 4 位作者2009-04-01OpenAlex

Wide attention has been given to the heterojunction Semiconductor-Insulator-Semiconductor S-I-S solar cells which present the same performances as the Metal-Insulator- Semiconductor M-I-S heteroj unctions. In the former, the top semiconductor is a transparent degenerated semiconductor thin film. Among the various tran…

Thin-Film Transistor TechnologiesZnO doping and propertiesChalcogenide Semiconductor Thin Films

Growth of Zinc Oxide Nanoparticles by the Reaction of Zinc with Ethanol

M. A. Shah2009-04-01Advanced materials research

A novel approach has been described for the synthesis of zinc oxide nanoparticles by a very simple reaction of zinc metal with ethanol at 100oC. The diameters of the nano-particles range from 50–100nm. The reaction involves the cleavage of C-O bond of the alcohol, which occurs readily on zinc metal surface. Addition o…

Copper-based nanomaterials and applications

Features of the Post-Deformation Hardening of Fe-Cr-Co Hard Magnetic Alloys with W and Ga Additives

E. V. Belozerov、Н. Н. Щеголева、Г. В. Иванова 等 4 位作者2009-04-01Diffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomena

The structure, mechanical and magnetic properties have been studied for Fe-Cr-Co-based hard magnetic alloys with W and Ga additives, subjected by the quenching and post-deformation hardening. The alloys combine the properties of the hard magnetic material with outstanding mechanical strength and plasticity. Using X-ra…

Powder Metallurgy Techniques and MaterialsMetal Alloys Wear and PropertiesMagnetic Properties of Alloys

The three-component mutual system of Li, Ca//SO4, MoO4

Н. Н. Вердиев、Ya. A. Dibirov、P. A. Arbukhanova 等 4 位作者2009-04-01Moscow University Chemistry Bulletin

Differential thermal (DTA) and X-ray phase (XPA) analyses are used to study the ternary mutual system of Li, Ca//SO 4 , MoO 4 . Boundaries of crystallizing phases are determined. Compositions of the saddle and two invariant ternary eutectic points that melt at 709, 538, and 680 °C, as well as heats of phase transition…

Chemical Thermodynamics and Molecular StructureCrystallization and Solubility StudiesThermal and Kinetic Analysis

Specific physical properties of nanocrystalline (La0.65Sr0.35)0.8Mn1.2O3 ± Δ samples obtained by cold isostatic pressing

G. Ya. Akimov、Sergiy Prylypko、Yu. F. Revenko 等 4 位作者2009-04-01Physics of the Solid State

Single-phase powders of manganites (La 0.65 Sr 0.35 ) 0.8 Mn 1.2 O 3 ± Δ with average crystallite sizes of 30, 50, and 500 nm were produced by co-precipitation. The samples studied were obtained by cold isostatic pressing of powders at a pressure of 1 GPa without subsequent sintering. It is shown that the size of part…

Magnetic Properties of AlloysRare-earth and actinide compoundsMagnetic and transport properties of perovskites and related materials