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Electronic excitations and first hyperpolarizability of 2‐methyl‐4‐nitroaniline clusters

Maxime Guillaume、Edith Botek、Benoı̂t Champagne 等 5 位作者2002-01-01International Journal of Quantum Chemistry

Abstract The crystal packing effects upon the static and dynamic first hyperpolarizability of 2‐methyl‐4‐nitroaniline (MNA) clusters have been addressed at the TDHF/AM1 level. Due to electrostatic interactions, in 1‐D arrays of MNA unit cells extending along the a crystallographic axis, the effective hyperpolarizabili…

Nonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsOrganic Chemistry Cycloaddition Reactions

Enantiomeric recognition of amino acids using a chiral spiropyran derivative

Kazunori Tsubaki、Koichiro Mukoyoshi、Hiroshi Morikawa 等 5 位作者2002-01-01Chirality

Abstract An optically active spiropyran 1 with a binaphthol moiety as a chiral source was synthesized. The colored merocyanine form of ( R )‐ 1 obtained by the UV irradiation remained in the presence of D ‐amino acids longer than with L ‐amino acids. Chirality 14:713–715, 2002. © 2002 Wiley‐Liss, Inc.

Molecular Sensors and Ion DetectionPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research

Atomistic Mechanism of Relaxor Ferroelectricity

T. Egami2002-01-01Ferroelectrics

Relaxor ferroelectrics are widely used in various applications because of their high dielectric and piezoelectric response over a wide range of temperature. The microscopic mechanism of the relaxor behavior, however, is highly complex and still inadequately understood. We discuss the atomistic mechanisms that create t…

Ferroelectric and Piezoelectric MaterialsMaterial Dynamics and PropertiesAcoustic Wave Resonator Technologies

The effect of boron on the amount and type of carbides in chromium white irons

Stanka Tomovic-Petrovic、Srdjan Marković、S. Zec2002-01-01Journal of the Serbian Chemical Society

The effect of boron, in the amounts of 0.26, 0.39, and 0.59 wt.%, on the volume fraction and structure of carbides in Cr white irons was examined. It was demonstrated that the addition of boron can change the microstructural characteristics of white iron containing about 13 wt.% Cr. With increasing boron content, the…

Advanced materials and compositesMetal Alloys Wear and PropertiesPowder Metallurgy Techniques and Materials

Anodic passivity of some titanium base alloys in aggressive environments

M. V. Popa、Ecaterina Vasilescu、Paula Drob 等 7 位作者2002-01-01Materials and Corrosion

The passivity of titanium, binary Ti-15Mo and ternary Ti-15Mo-5Al alloys in hydrochloric acid solutions was studied by potentiostatic, potentiodynamic, linear polarization and electrochemical impedance spectroscopy (EIS) techniques. The anodic passivity of binary Ti-15Mo and ternary Ti-15Mo-5Al titanium alloys differs…

Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsTitanium Alloys Microstructure and Properties

Mechanical Stability of Immobilized Biocatalysts (CLECs) in Dilute Agitated Suspensions

Timothy S. Lee、Michael K. Turner、Gary J. Lye2002-01-01Biotechnology Progress

Cross-linked enzyme crystals (CLECs) are a novel form of immobilized biocatalyst designed for application in industrial biotransformation processes. In this work we have investigated the mechanical stability of agitated CLEC suspensions in relation to the design and scale-up of bioconversions carried out in stirred-ta…

Protein purification and stabilityEnzyme Structure and FunctionCrystallization and Solubility Studies

A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas) 2 ] 2 2− : (BEDT-TTF) 2 [Fe(tdas) 2 ] (tdas = 1,2,5-thiadiazole-3,4-dithiolate)

Paola Deplano、Laura Leoni、Maria Laura Mercuri 等 12 位作者2002-01-01Journal of Materials Chemistry

In an attempt to synthesize new synthetic metals which couple magnetic properties to conductivity, we prepared the novel salt (BEDT-TTF)2[Fe(tdas)2] [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene, hereafter referred to as ET; tdas = 1,2,5-thiadiazole-3,4-dithiolate] by the electrocrystallization technique. The crys…

Perovskite Materials and ApplicationsMagnetism in coordination complexesOrganic and Molecular Conductors Research

Modelling the Load–Extension Behaviour of Plain-knitted Fabric: Part I: A Unit-cell Approach towards Knitted-fabric Mechanics

A. U. Loginov、S. A. Grishanov、R. J. Harwood2002-01-01Journal of the Textile Institute

The objective of the study reported in this paper was to generate new models of the mechanical behaviour of knitted fabrics in quasi-static deformation from an initially relaxed state to the extended state. The problem of extension of a knitted structure is complicated by the combination of non-linear properties deriv…

Mechanical Behavior of CompositesTextile materials and evaluationsMaterial Properties and Processing

Selective Dissolution below the Critical Potential and Back Alloying in Copper-Gold Alloy

B. G. Ateya、G. Geh、A. H. Carim 等 4 位作者2002-01-01Journal of The Electrochemical Society

Below the critical potential, selective dissolution of Cu from Cu-18 atom % Au proceeds via Cu transport through an essentially planar Au-rich product layer, which over time increases to hundreds of atom layers in thickness. Transmission electron micrographs (TEM) taken after the selective dissolution (at and subseque…

Microstructure and mechanical propertiesElectrodeposition and Electroless CoatingsNanoporous metals and alloys

Hysteresis scans for Pd–H and Pd–alloy–H systems

Da Wang、Ted B. Flanagan、Toshiro Kuji2002-01-01Physical Chemistry Chemical Physics

Hysteresis scans have been measured for Pd–H starting from both plateaux. Return point memory has been verified, i.e., a scan can always return to its starting point upon reversal. The symmetry of hysteresis scans with respect to a 180° rotation about the midpoint is pointed out for scans originating along a horizonta…

High-pressure geophysics and materialsMagnetic Properties of AlloysThermodynamic and Structural Properties of Metals and Alloys

The interaction between reactive dye containing vinylsulfone group and chitosan microspheres

Irene Yukiko Kimura、Mauro C. M. Laranjeira、Valfredo T. Fávere 等 4 位作者2002-01-01International Journal of Polymeric Materials

Chitosan microspheres were employed as adsorbent in aqueous medium for the reactive orange 16 containing the vinylsulfone group. Adsorption isotherms were obtained varying pH, contact time, and initial concentration of the dye in the solution. The results from the adsorption experiments were analyzed using Langmuir's…

Conducting polymers and applications

Hydroxo‐bridged Tetranuclear Cu II Complexes: {[Cu(bpy)(OH)] 4 Cl 2 }Cl 2 · 6 H 2 O and {[Cu(phen)(OH)] 4 (H 2 O) 2 }]Cl 4 · 4 H 2 O

Yue‐Qing Zheng、Jian‐Li Lin2002-01-01Zeitschrift für anorganische und allgemeine Chemie

The blue tetranuclear CuII complexes {[Cu(bpy)(OH)]4Cl2}Cl2 · 6 H2O (1) and {[Cu(phen)(OH)]4(H2O)2}Cl4 · 4 H2O (2) were synthesized and characterized by single crystal X-ray diffraction. (1): P 1 (no. 2), a = 9.240(1) Å, b = 10.366(2) Å, c = 12.973(2) Å, α = 85.76(1)°, β = 75.94(1)°, γ = 72.94(1)°, V = 1152.2(4) Å3, Z…

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

MCM-41-Immobilized [Rh(cod)OCH3]2 Complex - A Hybrid Catalyst for the Polymerization of Phenylacetylene and Its Ring-Substituted Derivatives

Hynek Balcar、Jan Sedláček、Jiřı́ Čejka 等 4 位作者2002-01-01Macromolecular Rapid Communications

The immobilization of [Rh(cod)OCH3]2 (cod = cycloocta-1,5-diene) on mesoporous molecular sieves MCM-41 provides the first inorganic-type hybrid catalyst, which affords heterogeneous polymerization of phenylacetylene and its ring-substituted derivatives, – 2-fluorophenylacetylene, 4-fluorophenylacetylene, and 4-pentylp…

Mesoporous Materials and CatalysisCatalysis for Biomass ConversionSynthesis and Properties of Aromatic Compounds

Molecular Diversity of Eucaryotic Picoalgae from Three Lakes in Switzerland

Dominik Hepperle、Ines Schlegel2002-01-01International Review of Hydrobiology

The diversity of eucaryotic picoalgae in three Swiss lakes was characterized by light microscopy and these observations were compared with analyses of SSU rDNA sequences. The phylogenetic analyses suggested that seven of the eight investigated strains were either related to Choricystis (Trebouxiophyceae) or Mychonaste…

Aquatic Ecosystems and Phytoplankton DynamicsMicrobial Community Ecology and PhysiologyDiatoms and Algae Research

Ionic Transport in Anodically Oxidized Al/W Layers

L. Iglesias-Rubianes、P. Skeldon、G.E. Thompson 等 5 位作者2002-01-01Journal of The Electrochemical Society

The growth of an anodic oxide film on a specimen consisting of a layer of aluminum deposited upon a layer of tungsten was examined by transmission electron microscopy. The findings reveal initial growth of anodic alumina, followed by penetration of the alumina by fingers of tungsten oxide once the metal/film interface…

Semiconductor materials and devicesConcrete Corrosion and DurabilityAnodic Oxide Films and Nanostructures

Investigation of structure development in polyamide 11 and polyamide 12 tubular film extrusion

Sangkeun Rhee、James L. White2002-01-01Polymer Engineering and Science

Abstract The processability of single bubble polyamide 11 and polyamide 12 films was investigated. The development of crystalline structure and chain orientation of polyamide 11 and polyamide 12 films in single bubble film blowing was studied by differential scanning calorimetry (DSC), wide angle X‐ray diffraction (WA…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMaterial Properties and Processing

An Improved Long Life Duration CMC for Jet Aircraft Engine Applications

Eric Bouillon、F. Lamouroux、Laurent Baroumes 等 6 位作者2002-01-01OpenAlex

A new concept of Ceramic Matrix Composite (CMC), mainly based on the use of a self–sealing technology for matrix and the use of a multilayer woven reinforcement, has been developed by Snecma for achieving high performance levels targeted by future jet engines. The driving force for this development has been to increas…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Antibacterial Properties of Magnesium Alloy AZ31B: In - vitro Studies using the Biofilm-forming Bacterium Pseudomonas sp.

Kanavillil Nandakumar、Kurissery R Sreekumari、Yasushi Kikuchi2002-01-01Biofouling

Magnesium (Mg 2+ ) alloys attract the focus of industries such as the telecom and computer industries and medical and household appliances due to their strength and weightlessness. However, magnesium is one of the major cell components of bacteria, which implicates it in microbial attachment and growth. To understand…

Bone Tissue Engineering MaterialsCorrosion Behavior and InhibitionMagnesium Alloys: Properties and Applications

Solid Polymer Electrolytes, 2. Preparation and Ionic Conductivity of Solid Polymer Electrolytes Based on Segmented Polysiloxane-Modified Polyurethane

Ping‐Lin Kuo、Wuu‐Jyh Liang、Chia‐Liang Lin2002-01-01Macromolecular Chemistry and Physics

Segmented polyurethanes (PSEU) were synthesized from polydimethylsiloxane diol (PSi) mixed with poly(ethylene glycol) (PEG) in different ratios as soft segment, 4,4′-diphenylmethane diisocyanate as hard segment, and ethylene glycol as chain extender. FT-IR, NMR, and thermal analysis were used to characterize the struc…

Advanced Battery Materials and TechnologiesFuel Cells and Related MaterialsConducting polymers and applications

Optical properties of magnesium fluoride thin films produced by argon ion-beam assisted deposition

L. Dumas、Etienne Quesnel、F. Pierre 等 4 位作者2002-01-01Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Magnesium fluoride thin films were deposited on silica glass and single crystal silicon substrates by argon ion-beam assisted deposition (IBAD). The effects of argon ions impinging on the growing film on the optical and chemical properties of the single layers were investigated. Compared to MgF2 films produced by dire…

Metal and Thin Film MechanicsOptical Coatings and GratingsSilicone and Siloxane Chemistry