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Why Does Disubstituted Hexamolybdate with Arylimido Prefer to Form an Orthogonal Derivative? Analysis of Stability, Bonding Character, and Electronic Properties on Molybdate Derivatives by Density Functional Theory (DFT) Study

Li‐Kai Yan、Zhong‐Min Su、Wei Guan 等 7 位作者2004-10-16The Journal of Physical Chemistry B

The bonding character of arylimido molybdate derivatives has been investigated, using density functional theory (DFT). The natural bond orbital analysis reveals that the Mo⋮N triple bond in the arylimido molybdate derivatives is comprised of a σ-bond and two π-bonds. The energy analysis of 2,6-dimethylaniline disubsti…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsCarbon dioxide utilization in catalysis

Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the μ-Crystallin Family,

Jessica L. Goodman、Susan Wang、S. Munir Alam 等 6 位作者2004-10-16Biochemistry

Ornithine cyclodeaminase catalyzes the conversion of L-ornithine to L-proline by an NAD(+)-dependent hydride transfer reaction that culminates in ammonia elimination. Phylogenetic comparisons of amino acid sequences revealed that the enzyme belongs to the mu-crystallin protein family whose three-dimensional fold has n…

Enzyme Structure and FunctionErythrocyte Function and PathophysiologyAmino Acid Enzymes and Metabolism

Secondary Structures and Conformational Changes in Flagelliform, Cylindrical, Major, and Minor Ampullate Silk Proteins. Temperature and Concentration Effects

Cedric Dicko、David P. Knight、John M. Kenney 等 4 位作者2004-10-16Biomacromolecules

Orb weaver spiders use exceptionally complex spinning processes to transform soluble silk proteins into solid fibers with specific functions and mechanical properties. In this study, to understand the nature of this transformation we investigated the structural changes of the soluble silk proteins from the major ampul…

Insect and Arachnid Ecology and BehaviorSilk-based biomaterials and applicationsBiochemical and Structural Characterization

Synthesis of Disordered and Highly Exfoliated Epoxy/Clay Nanocomposites Using Organoclay with Catalytic Function via Acetone−Clay Slurry Method

Bin Chen、Jia Liu、Haibin Chen 等 4 位作者2004-10-16Chemistry of Materials

A new method for preparation of polymer/clay nanocomposite is reported. It uses an epoxy curing accelerator as modifier in clay modification and the modified clay is treated with acetone to replace water inside the clay galleries. The acetone−clay slurry is mixed with epoxy resin directly. The use of curing accelerato…

Polymer Nanocomposites and PropertiesEpoxy Resin Curing ProcessesSynthesis and properties of polymers

Structure and Magnetic Properties of a Giant Cu44II Aggregate Which Packs with a Zeotypic Superstructure

Muralee Murugesu、Farzaneh Fadaei‐Tirani、Christopher E. Anson 等 4 位作者2004-10-16Inorganic Chemistry

Reaction of Cu(II) and the aminopolycarboxylate nitrilotripropionic acid (H(3)ntp) in water leads to the formation of [Cu(44)(mu(8)-Br)(2)(mu(3)-OH)(36)(mu-OH)(4)(ntp)(12)Br(8)(OH(2))(28)]Br(2).81H(2)O. The Cu(44) aggregates have a central inorganic core corresponding to [Cu(24)(mu(8)-Br)(2)(mu(3)-OH)(24)(mu-OH)(8)](1…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesLanthanide and Transition Metal Complexes

A Room-Temperature Ionic-Liquid-Templated Proton-Conducting Gelatinous Electrolyte

Zhiying Li、Hongtao Liu、Yang Liu 等 5 位作者2004-10-16The Journal of Physical Chemistry B

Novel proton-conducting gelatinous electrolytes templated by room-temperature ionic liquid (RTIL) 1-butyl-3-methyl-imidazolium-tetrafluoroborate (BMImBF 4 ) have been prepared in methylsisesquioxane backbone containing H 3 PO 4, and the influences of the RTIL on the structure, morphology, thermal stability, and electr…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsPolyoxometalates: Synthesis and Applications

Transition to a β-Sheet-Rich Structure in Spidroin in Vitro: The Effects of pH and Cations

Cedric Dicko、John M. Kenney、David P. Knight 等 4 位作者2004-10-16Biochemistry

Unlike man-made fibers, the silks of spiders are spun from aqueous solutions and at atmospheric pressure in a process still poorly understood. The molecular mechanism of this process involves the conversion of a highly concentrated, predominantly disordered silk protein (spidroin) into beta-sheet-rich structures. To h…

Neurobiology and Insect Physiology ResearchSilk-based biomaterials and applicationsBiochemical and Structural Characterization

Physical, Mechanical, and Conductivity Properties of Poly(3-hexylthiophene)−Montmorillonite Clay Nanocomposites Produced by the Solvent Casting Method

Biplab Kumar Kuila、Arun K. Nandi2004-10-16Macromolecules

Polymer nanocomposites (PNCs) of poly(3-hexylthiophene) (P3HT) with organically modified montmorillonite (om-MMT) clay have been prepared by the solvent casting method. WAXS and TEM studies indicate exfoliated clay structure for lower clay content, but at higher clay content (5%, w/w) intercalated structures appear. T…

Polymer Nanocomposites and PropertiesConducting polymers and applicationsPolymer Nanocomposite Synthesis and Irradiation

Crystal Structure and Morphology of Poly(l-lactide-b-d-lactide) Diblock Copolymers

Liangbin Li、Zhiyuan Zhong、Wim H. de Jeu 等 5 位作者2004-10-16Macromolecules

The isothermal crystallization behavior of low-molecular-weight (DP ≅ 50) poly( l -lactide- b - d -lactide) diblock copolymers is reported, as studied by small- and wide-angle X-ray scattering. The symmetric diblock copolymer crystallizes in the stereocomplex form for the whole range of crystallization temperatures, w…

Polymer crystallization and propertiesAdvanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and properties

Structure and Composition of Cu-Doped CdSe Nanocrystals Using Soft X-ray Absorption Spectroscopy

Robert W. Meulenberg、Tony Van Buuren、K.M. Hanif 等 6 位作者2004-10-16Nano Letters

The local structure and composition of Cu ions dispersed in CdSe nanocrystals is examined using soft X-ray absorption near edge spectroscopy (XANES). Using Cu L -edge XANES and X-ray photoelectron measurements (XPS), we find that the Cu ions exist in the Cu(I) oxidation state. We also find that the observed Cu L -edge…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Synthesis and Characterization of 3-Aminopropyltriethoxysilane-Modified Superparamagnetic Magnetite Nanoparticles

Xing‐Can Shen、Xiuzhong Fang、Ying‐Hua Zhou 等 4 位作者2004-10-16Chemistry Letters

Abstract The aminosilane-modified magnetite nanoparticles were synthesized by the coprecipitation and surface modification with 3-aminopropyltriethoxysilane (APTTS). The superparamagnetic APTTS/Fe3O4 nanospheres with an average diameter of 10 nm were characterized significantly with functional group, well dispersion a…

Mesoporous Materials and CatalysisIron oxide chemistry and applicationsDiatoms and Algae Research

Gold Nanoparticle Embedded, Self-Sustained Chitosan Films as Substrates for Surface-Enhanced Raman Scattering

D.S. dos Santos、Paul J. G. Goulet、Nicholas P. W. Pieczonka 等 5 位作者2004-10-16Langmuir

In this work, self-sustained, biocompatible, biodegradable films containing gold nanostructures have been fabricated for potential application in nanobioscience and ultrasensitive chemical and biochemical analysis. We report a novel synthesis of gold nanoparticles mediated by the biopolymer chitosan. Self-supporting t…

Gold and Silver Nanoparticles Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesBiosensors and Analytical Detection

Influence of Thiol Capping on the Exciton Luminescence and Decay Kinetics of CdTe and CdSe Quantum Dots

Sander F. Wuister、Celso de Mello Donegá、Andries Meijerink2004-10-16OpenAlex

Highly luminescent CdSe and CdTe quantum dots (QDs) are prepared in a hot solvent of capping molecules (TOP/TOPO/HDA for CdSe and TOP/DDA for CdTe). The influence of exchange of the capping molecules with different types of thiol molecules (amino ethanethiol, (3-mercaptopropyl)trimethoxysilane, hexanethiol, 2-propenet…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Physicochemical Properties and Cellular Toxicity of Nanocrystal Quantum Dots Depend on Their Surface Modification

Akiyoshi Hoshino、Kouki Fujioka、Taisuke Oku 等 9 位作者2004-10-16OpenAlex

Nanocrystal quantum dots (QDs) have been applied to molecular biology because of their greater and longer fluorescence. Here we report the potential cytotoxicity of our characterized QDs modified with various molecules. Surface modification of QDs changed their physicochemical properties. In addition, the cytotoxicity…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCarbon and Quantum Dots Applications

Synthesis, Characterization, and Biological Application of Size-Controlled Nanocrystalline NaYF4:Yb,Er Infrared-to-Visible Up-Conversion Phosphors

Guangshun Yi、Huachang Lu、Shuying Zhao 等 7 位作者2004-10-16OpenAlex

Nanocrystalline infrared-to-visible up-conversion phosphors, ytterbium and erbium co-doped sodium yttrium fluoride, were synthesized. Spherical particles with narrow size distribution were prepared by a co-precipitation method in the presence of ethylenediaminetetraacetic acid (EDTA). Particles of controlled size in t…

Luminescence Properties of Advanced MaterialsNanocluster Synthesis and ApplicationsInorganic Fluorides and Related Compounds

Solute Drag and Entropy Production - Two Approaches to the Same Phenomenon

Mats Hillert2004-10-15Materials science forum

The historical development of the two approaches to the interaction between solute atoms and a migrating interface, based on dissipation of Gibbs energy and on solute drag, are reviewed and compared. In the way the solute drag was formulated long ago for recrystallization and grain growth, it does not apply to phase t…

Solidification and crystal growth phenomenaMetallurgical Processes and ThermodynamicsCrystallization and Solubility Studies

Study of Local Microstructure and Texture Heterogeneities in Hot Rolled CGO Fe-3%Si Sheets

Francisco Cruz‐Gandarilla、Thierry Baudin、R. Pénelle 等 4 位作者2004-10-15Materials science forum

After secondary recrystallization, the Fe-3%Si alloys, grade Conventional Grain Oriented (C.G.O.), exhibit a Goss texture that is sought for minimizing watt losses in transformer cores. The mechanisms of Goss grain formation and their evolution during the processing route from hot rolling to decarburizing such as the…

Microstructure and Mechanical Properties of SteelsAluminum Alloy Microstructure PropertiesMagnetic Properties and Applications

Monte Carlo Method for Simulating Grain Growth in 3D Influence of Lattice Site Arrangements

Denis Solas、Ph. Gerber、Thierry Baudin 等 4 位作者2004-10-15Materials science forum

A three-dimensional Monte Carlo computer simulation technique has been applied to the problem of normal grain growth. A continuum system is modelled employing a discrete lattice. In this paper we investigate the connectivity of the points that represent the discretized microstructure. The lattice can have a strong inf…

Microstructure and mechanical propertiesSolidification and crystal growth phenomenaMetallurgy and Material Forming

Geometric Dynamic Recrystallization in α-Zirconium at Elevated Temperatures

S.R. Barrabes、M. E. Kassner、M.T. Pérez‐Prado 等 4 位作者2004-10-15Materials science forum

The micron-size grain refinement of pure a-zirconium obtained with elevated temperature tensile deformation was investigated. The development of low-misorientation subboundaries caused the serration of the original grain boundaries at low strains. The final microstructure (e.g. strains > 3) was predominantly compos…

Microstructure and mechanical propertiesNuclear Materials and PropertiesHigh-Velocity Impact and Material Behavior

Grain Boundary Structure and Its Energy of <110> Symmetric Tilt Boundary in Copper

Naoki Takata、Ken‐ichi Ikeda、Fusahito YOSHIDA 等 5 位作者2004-10-15Materials science forum

In the present study, grain boundary energy and atomic structure of &lt;110&gt; symmetric tilt boundaries in copper were evaluated by molecular dynamics (MD) simulation. From the simulations, the grain boundary energy of &lt;110&gt; symmetric tilt boundaries depended on misorientation angle and there were large energy…

Microstructure and mechanical propertiesMicrostructure and Mechanical Properties of SteelsFusion materials and technologies