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Optimized Parameters for Continuum Solvation Calculations with Carbohydrates

David F. Green2008-04-01The Journal of Physical Chemistry B

Continuum solvent models have been shown to be an efficient method for the calculation of the energetics of biomolecules in solution. However, for these methods to produce accurate results, an appropriate set of atomic radii or volumes is needed. While these have been developed for proteins and nucleic acids, the same…

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionEnzyme Structure and Function

Polar Nematic Phase in Lyotropic Solutions of Poly(γ-benzyl glutamate) and Its Temperature Instability As Detected by SHG Measurement

Chu-Chun Yen、Yoshiaki Taguchi、Masatoshi Tokita 等 4 位作者2008-04-01Macromolecules

ADVERTISEMENT RETURN TO ISSUECommunication to the...Communication to the EditorNEXTPolar Nematic Phase in Lyotropic Solutions of Poly(γ-benzyl glutamate) and Its Temperature Instability As Detected by SHG MeasurementChu-Chun Yen*, Yoshiaki Taguchi, Masatoshi Tokita, and Junji WatanabeView Author Information Department…

Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Optical absorption and fluorescence spectra of Pr (III) doped borosilicate glasses and their Judd-Ofelt analysis to study lasing characteristics

Yogesh Sharma、S. S. L. Surana、Rajesh Kumar Singh2008-04-01Indian Journal of Pure & Applied Physics

Optical absorption and fluorescence spectra of Pr 3+ doped borosilicate glasses of the composition (in wt.%) 68.94 SiO222.55 Na2O-1.91 CaO-4.96 K2O -0.85 B2O3-0.29 As2O3-xPr6O11 where x = 0.0, 0.2, 0.3 and 0.5 have been studied in UV-VIS/NIR regions. Judd-Ofelt theory has been applied to the f ↔ f transitions for eval…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsSolid State Laser Technologies

Synthesis and Characterization of Multi‐Walled Carbon Nanotube/Polythiophene Composites

Hongfan Guo、Hong Zhu、Haiyan Lin 等 5 位作者2008-04-01Journal of Dispersion Science and Technology

Multi‐walled carbon nanotube (MWCNT)/polythiophene (PTh) composites have been prepared by in situ chemical oxidative polymerization. PTh is synthesized onto the sidewalls of the MWCNTs, which play a role as hard templates for PTh to produce one‐dimensional nanostructures. The morphology and structures of the MWCNT/PTh…

Carbon Nanotubes in CompositesSupercapacitor Materials and FabricationConducting polymers and applications

Effect of accelerated aging on the structure and properties of monolayer and multilayer packaging films

P. A. Tarantili、V. Kiose2008-04-01Journal of Applied Polymer Science

Abstract The effect of accelerated aging on the structure and properties of single, metalized, and multilayer films used in food packaging was studied through the exposure of specimens of those films to repeated aging cycles in a weather meter under the combined action of ultraviolet, humidity, and heat. The aged spec…

Mechanical Behavior of CompositesPolymer crystallization and propertiesNatural Fiber Reinforced Composites

SAED and HRTEM Investigation of Palygorskite

Chen Tao、Wang Hejing、ZHANG Xiaoping 等 4 位作者2008-04-01Acta Geologica Sinica - English Edition

Abstract: The microstructure of palygorskite from Longwang Mountain of Xuyu County, Jiangsu Province, was studied by energy dispersive X‐ray analysis (EDX), selected‐area electron diffraction (SAED) and high‐resolution transmission electron microscopy (HRTEM). The average composition of the palygorskite studied is (Si…

Crystal Structures and PropertiesClay minerals and soil interactionsIron oxide chemistry and applications

Methanol Synthesis Over Cu and Cu-Oxide-Containing $ \hbox{ZnO}/\hbox{Al}_{2}\hbox{O}_{3}$ Using Dielectric Barrier Discharge

Antonius Indarto、Jae Wook Choi、Hwaung Lee 等 4 位作者2008-04-01IEEE Transactions on Plasma Science

Initially developed for more than 20 years ago, the copper over zinc and aluminum oxide (ZnO/Al2O3) catalyst system is used for low-pressure methanol synthesis. Recently, the Cu/ZnO/Al2O3(CZA) was shown to be active in a dielectric-barrier discharge (low-temperature plasma). In this paper, the investigation on the cop…

Catalysts for Methane ReformingLayered Double Hydroxides Synthesis and ApplicationsNanomaterials for catalytic reactions

[CpNi(diselenolene)] Neutral Radical Complexes: Electron Paramagnetic Resonance and Density Functional Theory Investigations

Philippe Grosshans、P. Adkine、Helena Sidorenkova 等 6 位作者2008-04-01The Journal of Physical Chemistry A

77Se-enriched CpNi(bds) (bds = 1,2-benzenediselenolate), has been synthesized and its g tensor and 77Se hyperfine tensors have been obtained from its frozen solution electron paramagnetic resonance (EPR) spectrum. These parameters are consistent with those calculated by density functional theory (DFT); it is shown tha…

Magnetism in coordination complexesMetalloenzymes and iron-sulfur proteinsOrganic and Molecular Conductors Research

Optimal Design of Support Insulators Using Hashing Integrated Genetic Algorithm and Optimized Charge Simulation Method

Wen-Shiush Chen、Hong‐Tzer Yang、Hongyu Huang2008-04-01IEEE Transactions on Dielectrics and Electrical Insulation

This paper proposes a combined approach of optimized charge simulation method (CSM) and hashing integrated adaptive genetic algorithm (HAGA) to the contour design of support insulators. In the combined approach, the HAGA determines the optimal displacement ratio and number of fictitious charges used in CSM, and then o…

High voltage insulation and dielectric phenomenaSmart Grid Energy ManagementImage Enhancement Techniques

Thermal Stability and Degradation Kinetics of Polystyrene/Organically-Modified Montmorillonite Nanocomposites

Grace Chigwada、Everson Kandare、Dongyan Wang 等 7 位作者2008-04-01Journal of Nanoscience and Nanotechnology

Organically-modified montmorillonite (MMT) clays have been prepared using ammonium salts containing quinoline, pyridine, benzene, and styrenic groups. The nanocomposites were prepared by melt blending and the formation of nanocomposites was characterized using X-ray diffraction (XRD) and transmission electron microsco…

Polymer Nanocomposites and PropertiesFlame retardant materials and propertiesThermal and Kinetic Analysis

Biomineralization of CaCO3 through the Cooperative Interactions between Multiple Additives and Self-Assembled Monolayers

Xiaoqiang An、Chuanbao Cao2008-04-01The Journal of Physical Chemistry C

In this paper, the biomineralization of calcium carbonate through the cooperative interactions between self-assembled monolayers (SAMs) and multiple soluble additives was first investigated. The polymorphs and morphologies of products were well controlled by the existence of ordered surface and the co-effect of silk f…

Bone Tissue Engineering MaterialsCalcium Carbonate Crystallization and InhibitionMarine Biology and Environmental Chemistry

LiCoO2Hollow Nanofibers by Co‐Electrospinning Sol‐Gel Precursor

Sihui Zhan、Yi Li、Hongbing Yu2008-04-01Journal of Dispersion Science and Technology

LiCoO2 xerogel hollow nanofibers were first prepared by co‐electrospinning the sol precursor, and the polycrystalline LiCoO2 hollow nanofibers were obtained after calcination of the xerogel fibers. The obtained hollow nanofibers made up of 20∼30 nm nanocrystals were about 100 nm to several micrometers in outer diamete…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationElectrospun Nanofibers in Biomedical Applications

Evaluation of effective biocides for SRB to control microbiologically influenced corrosion

V. Raman、S. Tamilselvi、N. Rajendran2008-04-01Materials and Corrosion

Abstract The effects on microbiologically induced corrosion (MIC) of mild steel resulting from the presence of corrosion products in the biofilm of sulphate‐reducing bacteria (SRB) have been investigated. The culture‐media‐containing sulphide of biogenic origin was used to find out the effect of metal‐sulphide layers…

Corrosion Behavior and InhibitionMetal Extraction and BioleachingConcrete Corrosion and Durability

Interface Pressure and Stiffness of Various Elastic Stockings during Posture Changes and Exercise

Masafumi Hirai、Hirohide Iwata、Hiroyuki Ishibashi 等 5 位作者2008-04-01Vascular

The importance of measuring interface pressure and stiffness to characterize the elastic properties of materials has been stressed with regard to elastic stockings and elastic bandages. The objective of this study was to compare the pressure profiles of nine different elastic stockings and to quantify the effects of p…

Textile materials and evaluations

Characterization of ITO/CdO/glass thin films evaporated by electron beam technique

H. A. Mohamed、Hazem Mahmoud Ali2008-04-01Science and Technology of Advanced Materials

A thin buffer layer of cadmium oxide (CdO) was used to enhance the optical and electrical properties of indium tin oxide (ITO) films prepared by an electron-beam evaporation technique. The effects of the thickness and heat treatment of the CdO layer on the structural, optical and electrical properties of ITO films wer…

ZnO doping and propertiesGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applications

Magnetoimpedance, magnetoresistance, and magnetic properties of nanometric CMR manganites

T. K. Nath、Pranab Kumar Dutta、P. Dey2008-04-01Journal of Applied Physics

The effects of nanometric grain size (ϕ=14–28nm) modulation on the behavior of magnetoimpedance (MI), magnetoresistance, and magnetic properties of chemically synthesized a series of single-phase soft ferromagnetic nanocrystalline colossal magnetoresistance La0.7Sr0.3MnO3 (LSMO) manganites at room temperature have bee…

High-pressure geophysics and materialsMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Polaron transitions in charge intercalated amorphous tungsten oxide thin films

M. F. Saenger、T. Höing、Tino Hofmann 等 4 位作者2008-04-01physica status solidi (a)

Abstract We present a parametric dielectric function model in depen‐ dence of the intercalated charge per tungsten ion ratio x , which excellently describes the ellipsometric experimental data, and allows the identification of two polaron modes corresponding to transitions between W 4+ and W 5+ and between W 5+ and W…

Glass properties and applicationsTransition Metal Oxide NanomaterialsMagneto-Optical Properties and Applications

Electronic Properties and Orbital-Filling Mechanism in Rb-Intercalated Copper Phthalocyanine

Fabrizio Evangelista、R. Gotter、Nicola Mahne 等 6 位作者2008-04-01The Journal of Physical Chemistry C

The evolution of the electronic properties of a thin film of copper phthalocyanine deposited on Al(100) and progressively intercalated with rubidium atoms was followed by photoemission and X-ray absorption spectroscopies. Electron donation from the Rb atoms to the C 32 H 16 N 8 Cu molecules results in the lifting of t…

Graphene research and applicationsPorphyrin and Phthalocyanine ChemistryFullerene Chemistry and Applications

Effects of Cr2O3 doping on the electrical properties and the temperature stabilities of PZT binary piezoelectric ceramics

Jie Li、Quan Sun2008-04-01Rare Metals

The ceramics with Pb1.04Zr0.52Ti0.48O3 + z wt.% Cr2O3 were prepared using the traditional technique. The effects of Cr2O3 doping on the phase structure, the microstructure, and the electrical properties of ceramics were investigated. Meanwhile, the temperature stabilities of the resonant frequency (fr) were studied. T…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Magnetic coupling properties of Mn-doped ZnO nanowires: First-principles calculations

Hongliang Shi、Yifeng Duan2008-04-01Journal of Applied Physics

Based on the density functional theory, we study the magnetic coupling properties of Mn-doped ZnO nanowires. For the nanowires with passivated surfaces, the antiferromagnetic state is found and the Mn atoms have a clustering tendency. When the distance between two Mn atoms is large, the system energetically favors the…

ZnO doping and propertiesMagnetic and transport properties of perovskites and related materialsCopper-based nanomaterials and applications