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Spectral Properties of Spirooxazine Photochromes: TD-DFT Insights

Aurélie Perrier、François Maurel、Éric A. Perpète 等 5 位作者2009-09-30The Journal of Physical Chemistry A

A large series of photochromes of the spirooxazine family has been investigated using density functional theory and time-dependent density functional theory, aiming at designing molecules with an open-ring merocyanine form absorbing at the longest possible wavelength. A complete methodological assessment (basis set, s…

Photochemistry and Electron Transfer StudiesPhotochromic and Fluorescence ChemistryOrganic Chemistry Cycloaddition Reactions

Response surface optimization of D(-)-lactic acid production from Lactobacillus SMI8 using corn steep liquor and yeast autolysate as nitrogen sources

Cristian Jacques Bolner de Lima、Luciana Fontes Coelho、Kate Cristina Blanco 等 4 位作者2009-09-30African Journal of Food Science

The production of D (-)-lactic acid from Lactobacillus LMI8 sp. was optimizated by central composite design, using two low-cost nitrogen sources: corn steep liquor (CSL) and yeast autolysate (YA). The fermentation were performed in 250 mL Erlenmeyer flasks containing 100 mL of production medium, maintained at 200 rpm…

Enzyme Catalysis and Immobilizationbiodegradable polymer synthesis and propertiesMicrobial Metabolic Engineering and Bioproduction

Effect of Glass Transition Temperature of Pressure Sensitive Adhesives on Light Leakage in LCD Panel

Min Yang、Seung Woo Ko、Hyoung Jin Choi2009-09-30Journal of Macromolecular Science Part A

Pressure-sensitive adhesives (PSA), which mainly are made of acrylic polymers, have been used to fix optical films to liquid crystal display (LCD) cells to prevent contraction or expansion of the optical film under high temperature and high humidity conditions, while residual stress on the polarizing film is generated…

Polymer Nanocomposites and PropertiesSilicone and Siloxane ChemistryPolymer Science and PVC

Analysis of structures and surface states of the nanodiamond particle synthesised by detonation

Qin Zou、M.Z. Wang、Y.G. Li 等 6 位作者2009-09-30Micro & Nano Letters

Various apparatus were used to analyse the structures and the surface states of the nanodiamond particles synthesised by detonation, including a high-resolution transmission electron microscope (HRTEM), an energy diffraction spectrometer (EDS), an X-ray diffractometer (XRD), a Raman spectrometer (Raman), a Fourier tra…

Carbon Nanotubes in CompositesHigh-pressure geophysics and materialsDiamond and Carbon-based Materials Research

Study of Different Catalysts and Initiators in Bulk Copolymerization of d,l-Lactide and Glycolide

Rosario Mazarro、Leticia I. Cabezas、Antonio de Lucas 等 5 位作者2009-09-30Journal of Macromolecular Science Part A

Poly(d,l-lactide-co-glycolide), PLGA, is a biodegradable polyester with many medical applications. In this article, several catalysts are studied as potential substitutes of the conventional catalyst, tin (II) 2-ethylhexanoate (known as tin octoate, SnOct2). Namely, different metal carboxylates have been examined, in…

biodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Leakage Current and Discharge Phenomenon of Outdoor Insulators

Guan Zhicheng、Yingke Mao、Wang Liming 等 6 位作者2009-09-30International Journal on Electrical Engineering and Informatics

This paper descirbes leakage current characters and discharge phenomenon of outdoor insulators both in the lab and in the field. The results are hoped to be used for online monitoring of the contamination levels. The following contents are introduced in the paper: leakage current monitoring systems, relationships betw…

High voltage insulation and dielectric phenomenaEmbedded Systems and FPGA DesignHigh-Voltage Power Transmission Systems

Oligomer-to-Polymer Transition of Poly(propylene glycol) Revealed by Dielectric Normal Modes

Catalin Gainaru、R. Böhmer2009-09-30Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTOligomer-to-Polymer Transition of Poly(propylene glycol) Revealed by Dielectric Normal ModesCatalin Gainaru* and Roland BöhmerView Author Information Fakultät für Physik, Technische Universität Dortmund, 44221 Dortmund, Germany*Corr…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties

Examination of the Thermal and Thermomechanical Behavior of Novel Cyanate Ester Homopolymers and Blends with Low Coefficients of Thermal Expansion

Ian Hamerton、Brendan J. Howlin、Paul Klewpatinond 等 4 位作者2009-09-30Macromolecules

A new four-step synthetic method is presented and applied to the preparation in high purity of three novel dicyanate monomers that comprise aryl/alkylene ether backbones with high molecular flexibility. The multistep route involves four individually high-yielding steps (each ≥70%), thus giving overall reaction yields…

Epoxy Resin Curing ProcessesThermal and Kinetic AnalysisChemical Thermodynamics and Molecular Structure

Reversible giant photocontraction in chalcogenide glass

Laurent Calvez、Zhiyong Yang、Pierre Lucas2009-09-30Optics Express

It is shown that chalcogenide glasses with suitably underconstrained network can undergo reversible giant photocontractions up to a micron depth. These effects result from the combination of two attributes particular to these glasses, (i) the high photosensitivity characteristic of low coordination floppy networks and…

Glass properties and applicationsPhase-change materials and chalcogenidesMineralogy and Gemology Studies

Vibrational Dynamics of Water within Mesoporous Materials at Different Hydration Levels during Adsorption and Desorption Processes

Xiu Huang、Qiang Wang、Xiao X. Liu 等 8 位作者2009-09-30The Journal of Physical Chemistry C

The vibrational dynamics of water within Vycor 7930 under different hydration levels and adsorption and desorption processes has been investigated by Raman measurements. Based on the successfully depressing the background fluorescence of Vycor, a new Gaussian peaking at 3590 cm −1 has been observed in the Raman spectr…

Mesoporous Materials and CatalysisSpectroscopy and Quantum Chemical StudiesClay minerals and soil interactions

Defects in Compound Semiconductors Caused by Molecular Nitrogen

N. H. Nickel、Marc A. Gluba2009-09-30Physical Review Letters

The interaction of nitrogen molecules (N2) with the host lattice of compound semiconductors is investigated using first-principles density-functional calculations. In ZnO it is found that N2 causes localized states in the band gap either by forming an N2O molecule or by breaking a Zn-O bond. This mechanism contributes…

ZnO doping and propertiesGa2O3 and related materialsElectronic and Structural Properties of Oxides

Low Temperature Processing and Properties of Porous Frit-Bonded SiC Ceramics

Su-Ho Chae、Young‐Wook Kim、In‐Hyuck Song 等 7 位作者2009-09-30Journal of the Korean Ceramic Society

Porous frit-bonded SiC ceramics were successfully prepared at a temperature as low as 800 o C from SiC, frit, and microbeads (glass or polymer). The effects of SiC starting particle size and microbead addition on microstructure, porosity, and flexural strength were investigated. The addition of hollow glass microbead…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Microphase Separation in Sulfonated Block Copolymers Studied by Monte Carlo Simulations

P. Knychała、M. Banaszak、M. J. Park 等 4 位作者2009-09-30Macromolecules

The underpinnings of microphase separation in symmetric poly(styrenesulfonate- block -methylbutylene) (PSS−PMB) copolymer melts were examined by Monte Carlo lattice simulations. The main challenge is understanding the effect of ion pairs in the PSS block on thermodynamics. We assume that experimentally determined Flor…

Polymer crystallization and propertiesFuel Cells and Related MaterialsBlock Copolymer Self-Assembly

Synthesis of HCN Polymer from Thermal Decomposition of Formamide

Franco Cataldo、Giacomo Patanè、Giuseppe Compagnini2009-09-30Journal of Macromolecular Science Part A

Prolonged heating of formamide (HCONH2) at 185°C or 220°C produces a black insoluble product. The FT-IR spectroscopy and the X-ray photoelectron spectroscopy (XPS) suggest that the product has the chemical structure of a polymer of hydrocyanic acid: (HCN)x. The pyrolysis of (HCN)x prepared from formamide produces a la…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchEnergetic Materials and Combustion

Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn–Teller effect for Cu2+centres in trigonal Zn(BrO3)·6H2O crystal

Wen-Lin Feng、He Lv、Weiqing Yang 等 4 位作者2009-09-30Molecular Physics

The spin-Hamiltonian parameters (g factors g//, g⊥ and hyperfine structure constants 65A// and 65A⊥) for the tetragonal Cu2+ centres in trigonal Zn(BrO3)·6H2O crystal are calculated from the complete diagonalization (of energy matrix) method (CDM) based on the cluster approach. In the CDM, the Zeeman and hyperfine int…

Luminescence Properties of Advanced MaterialsCrystal Structures and PropertiesSolid-state spectroscopy and crystallography

Determination of the Phase Behavior of (LiNH2)c(LiBH4)1−c Quaternary Hydrides through in Situ X-ray Diffraction

Jonathan P. Singer、Martin S. Meyer、Richard M. Speer 等 5 位作者2009-09-30The Journal of Physical Chemistry C

Solid hydride materials combining high gravimetric and volumetric hydrogen capacity, rapid hydrogenation and dehydrogenation kinetics, and low operating temperature are highly desirable for hydrogen storage on fuel cell vehicles. Recently, a material of nominal composition Li 3 BN 2 H 8, formed by combining LiNH 2 and…

Hydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction

Nephrogenic Systemic Fibrosis in Rats Treated with Erythropoietin and Intravenous Iron

Thomas A. Hope、Whitney A. High、Philip E. LeBoit 等 7 位作者2009-09-30Radiology

PURPOSE: To use a rat model for nephrogenic systemic fibrosis (NSF) that was administered high-dose gadodiamide to determine whether the co-administration of erythropoietin (Epo) and intravenous iron potentiated development of skin lesions that are thought to be a marker for the development of NSF. MATERIALS AND METHO…

Acute Kidney Injury ResearchLanthanide and Transition Metal ComplexesChemotherapy-induced organ toxicity mitigation

Thermally Controllable Reflective Characteristics from Rupture and Self-Assembly of Hydrogen Bonds in Cholesteric Liquid Crystals

Hu Wang、Hui Cao、Song Li 等 7 位作者2009-09-30The Journal of Physical Chemistry B

A cholesteric liquid crystal (Ch-LC) composite, made of a series of cholesteryl esters, a nematic LC, and a hydrogen bond (H-bond) chiral dopant (HCD), was prepared and filled into a planar treated cell. When the cell was heated, the selective reflection of the cell exhibited an unusual blue shift. One of the reasonab…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsPhotochromic and Fluorescence Chemistry

Atomic scale high-angle annular dark field STEM analysis of the N configuration in dilute nitrides of GaAs

M. Herrera、Quentin M. Ramasse、Dwayne Morgan 等 12 位作者2009-09-30Physical Review B

While high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM) has been successfully used for the analysis of heavy atoms in a lighter matrix, the detection of light atoms in a heavy matrix remains challenging. In this paper, we show that the combination of first-principles total-energy cal…

Semiconductor materials and devicesAdvanced Electron Microscopy Techniques and ApplicationsElectron and X-Ray Spectroscopy Techniques