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Accelerated molecular dynamics simulation of the thermal desorption of n-alkanes from the basal plane of graphite

Kelly E. Becker、Kristen A. Fichthorn2006-11-08The Journal of Chemical Physics

We utilize accelerated molecular dynamics to simulate alkane desorption from the basal plane of graphite. Eight different molecules, ranging from n-pentane to n-hexadecane, are studied in the low coverage limit. Acceleration of the molecular dynamics simulations is achieved using two different methods: temperature acc…

Advanced Chemical Physics StudiesGraphene research and applicationsFiber-reinforced polymer composites

Dinuclear Gold(I) Isocyanide Complexes with Luminescent Properties, and Displaying Thermotropic Liquid Crystalline Behavior

Silverio Coco、Carlos Cordovilla、Pablo Espinet 等 5 位作者2006-11-08Inorganic Chemistry

Dinuclear gold(I) complexes [mu-(4,4'-CN-R-NC){Au(C6F4OC4H9)}2] [R = 1,4-phenylene, n = 8; R = 4,4'-biphenylene, 2,2'-dichloro-4,4'-biphenylene, 2,2'-dimethyl-4,4'-biphenylene, n = 4,6,8,10] have been prepared and their liquid crystal behavior and optical properties studied. Although the free ligands are not mesomorph…

Liquid Crystal Research AdvancementsOrganic Light-Emitting Diodes ResearchMagnetism in coordination complexes

Superhydrophobic Effects of Self-Assembled Monolayers on Micropatterned Surfaces: 3-D Arrays Mimicking the Lotus Leaf

Jessica Pacifico、Kohei Endo、Stephanie Morgan 等 4 位作者2006-11-08Langmuir

The contact angle of water has been measured on a series of self-assembled monolayers (SAM) on thermally evaporated and sputter coated silver surfaces. It is found that micropatterning the surface using nanosphere lithography leads to large increases in the contact angle and generates superhydrophobic surfaces with co…

Surface Modification and SuperhydrophobicityNanomaterials and Printing TechnologiesAdhesion, Friction, and Surface Interactions

Growth and characterization of glycine lithium sulphate single crystal

T. Balakrishnan、K. Ramamurthi2006-11-08Crystal Research and Technology

Abstract Single crystal of glycine lithium sulphate, a nonlinear optical material, was grown from aqua solution by temperature reduction method. The solubility and metastable zonewidth of glycine lithium sulphate were estimated using aqueous solution. The cell parameters of the grown crystal were estimated by single c…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

Ionic Liquid Immobilized Enzyme for Biocatalytic Synthesis of Conducting Polyaniline

Valérie Rumbau、Rebeca Marcilla、Estíbalitz Ochoteco 等 5 位作者2006-11-08Macromolecules

ADVERTISEMENT RETURN TO ISSUECommunication to the...Communication to the EditorNEXTADDITION / CORRECTIONThis article has been corrected. View the notice.Ionic Liquid Immobilized Enzyme for Biocatalytic Synthesis of Conducting PolyanilineValérie Rumbau, Rebeca Marcilla, Estibalitz Ochoteco, Jose A. Pomposo, and David M…

Advanced biosensing and bioanalysis techniquesElectrochemical sensors and biosensorsConducting polymers and applications

Preparation and characterization of a thermoplastic poly(glycerol sebacate) elastomer by two‐step method

Quanyong Liu、Ming Tian、Tao Ding 等 8 位作者2006-11-08Journal of Applied Polymer Science

Abstract A thermoplastic poly(glycerol sebacate) elastomer (TMPGS), prepared by a two‐step method for the first time, is characterized in the present work. First, non‐crosslinked poly(glycerol sebacate) (PGS) prepolymers at the 1 : 1 molar ratio of glycerol to sebacic acid were synthesized through a condensation react…

Hydrogels: synthesis, properties, applicationsbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Recycling of high impact polystyrene in coextruded sheet: Influence of the number of processing cycles on the microstructure and macroscopic properties

Florentino Soriano‐Corral、Graciela Morales、Ramón Díaz de León2006-11-08Polymer Engineering and Science

Abstract High impact polystyrene(HIPS) was repeatedly coextruded at 220°C, maintaining a constant composition of 70 wt% of virgin HIPS and 30 wt% of recycled HIPS. The gel content (GC), grafting degree (GD), swell index (SI), morphology of the rubber phase, and average molecular weight of the polystyrene (PS) matrix (…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesRheology and Fluid Dynamics Studies

Synthesis and characterization of organosoluble polyfluorinated polyimides derived from 3,3′,5,5′‐tetrafluoro‐4,4′‐diaminodiphenylmethane and various aromatic dianhydrides

Zhao Xiao-juan、Jin‐Gang Liu、Jiaming Rui 等 5 位作者2006-11-08Journal of Applied Polymer Science

Abstract A polyfluorinated aromatic diamine, 3,3′, 5,5′‐tetrafluoro‐4,4′‐diaminodiphenylmethane (TFDAM), was synthesized and characterized. A series of polyimides, PI‐1–PI‐4, were prepared by reacting the diamine with four aromatic dianhydrides via a one‐step high‐temperature polycondensation procedure. The obtained p…

Epoxy Resin Curing ProcessesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Immunological and allergenic responses induced by latex fractions of Calotropis procera (Ait.) R.Br.

Márcio V. Ramos、Valdiênia Mendes Aguiar、Vânia Maria Maciel Melo 等 9 位作者2006-11-08Journal of Ethnopharmacology

Immunological and allergenic responses against the latex of Calotropis procera were investigated in mice by oral and subcutaneous routes. The latex was fractionated according to water solubility and molecular size of its components. The fractions were named as non-dialyzable latex (NDL) corresponding to the major late…

Phytochemistry and Bioactive Compounds

Immobilization of Enamel Matrix Derivate Protein onto Polypeptide Multilayers. Comparative in Situ Measurements Using Ellipsometry, Quartz Crystal Microbalance with Dissipation, and Dual-Polarization Interferometry

Tobias Halthur、Per M. Claesson、Ulla Elofsson2006-11-08Langmuir

The buildup of biodegradable poly(L-glutamic acid) (PGA) and poly(L-lysine) (PLL) multilayers on silica and titanium surfaces and the immobilization of enamel matrix derivate (EMD) protein was followed by utilizing in situ ellipsometry, quartz crystal microbalance with dissipation, and dual-polarization interferometry…

Bone Tissue Engineering MaterialsPolymer Surface Interaction StudiesMarine Biology and Environmental Chemistry

Rheokinetics of ring‐opening metathesis polymerization of norbornene‐based monomers intended for self‐healing applications

G. E. Larin、N. Bernklau、Michael R. Kessler 等 4 位作者2006-11-08Polymer Engineering and Science

Abstract Constant shear rate rheokinetics was used to evaluate the polymerization of four norbornene‐based monomer systems as candidate healing agents in self‐healing composites: endo ‐dicyclopentadiene ( endo ‐DCPD), exo ‐DCPD, 5‐ethylidene‐2‐norbornene (ENB), and a 1:1 volume mixture of endo ‐DCPD:ENB. The ruthenium…

Advanced Polymer Synthesis and CharacterizationPolymer composites and self-healingSynthetic Organic Chemistry Methods

Modeling solubility of gases in semicrystalline polyethylene

Wenjuan Yao、Xiaoping Hu、Yongrong Yang2006-11-08Journal of Applied Polymer Science

Abstract An absorption model of gases in semicrystalline polymer was built that was based on the activity coefficient theory in polymer solution and associated with crystallinity dependent on temperature. The solubility of ethylene, isopentane, and n ‐hexane in three types of polyethylene (PE) were obtained by the use…

Polymer crystallization and propertiesPhase Equilibria and ThermodynamicsPolymer Foaming and Composites

Pd0.213Cd0.787 and Pd0.235Cd0.765 Structures: Their Long c Axis and Composite Crystals, Chemical Twinning, and Atomic Site Preferences

Joshua Teal Schmidt、Stephen Lee、Daniel C. Fredrickson 等 6 位作者2006-11-08Chemistry - A European Journal

We present single-crystal studies of Pd(0.213)Cd(0.787) and Pd(0.235)Cd(0.765), synchrotron powder studies of Pd(1-x)Cd(x), 0.755> or =x> or =0.800, and LDA-DFT and extended Hückel (eH) calculations on these or related phases. The two single-crystal structures have a, b, and c axis lengths of 9.9013(7), 14.0033(10), 3…

Microstructure and mechanical propertiesQuasicrystal Structures and PropertiesX-ray Diffraction in Crystallography

Thermal oxidative degradation kinetics of PP and PP/mg (OH)2 flame‐retardant composites

Xiaolang Chen、Jie Yu、Shaoyun Guo2006-11-08Journal of Applied Polymer Science

Abstract The thermal stability and thermal oxidative degradation kinetics of polypropylene (PP) and flame‐retardant PP composites filled with untreated and treated magnesium hydroxide (MH) in air were studied by thermogravimetric analysis (TGA). The effect of the heating rate in dynamic measurements (5°C–30°C/min) on…

Polymer Nanocomposites and PropertiesFlame retardant materials and propertiesThermal and Kinetic Analysis

Organic interfacial tailoring of styrene butadiene rubber–clay nanocomposites prepared by latex compounding method

Qing‐Xiu Jia、Youping Wu、Yiqing Wang 等 6 位作者2006-11-08Journal of Applied Polymer Science

Abstract The styrene butadiene rubber (SBR)–clay nanocompounds were prepared by the latex compounding method, and then hexadecyl trimethyl ammonium bromide (C16) and 3‐aminopropyl triethoxy silane (KH550) were added into these nanocompounds on a two‐roll mill to prepare nanocomposites with strong interfacial interacti…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Ionic elastomers based on carboxylated nitrile rubber and magnesium oxide

Luís Ibarra、M. Alzorriz2006-11-08Journal of Applied Polymer Science

Abstract The crosslinking of carboxylated nitrile rubber (XNBR) with magnesium oxide (MgO) leads to an ionic elastomer with thermoplastic nature and better physical properties than the ones obtained with other metallic oxides. The crosslinking reaction leads to the formation of a metallic salt as unique product, as it…

Polymer Nanocomposites and Propertiesbiodegradable polymer synthesis and propertiesDielectric materials and actuators

Enhancement of spontaneous and stimulated emission of a rhodamine 6G dye by an Ag aggregate

M. A. Noginov、Guohua Zhu、M. Bahoura 等 9 位作者2006-11-08Physical Review B

We have demonstrated that by adding the solution of aggregated silver nanoparticles to the solution of rhodamine $6\mathrm{G}\phantom{\rule{0.3em}{0ex}}\mathrm{dye}$, one can enhance the efficiency of spontaneous and stimulated emission. We attribute an increase of the spontaneous emission intensity of dye to the incr…

Gold and Silver Nanoparticles Synthesis and ApplicationsPlasmonic and Surface Plasmon ResearchNonlinear Optical Materials Studies

Role of charge in destabilizingAlH4andBH4complex anions for hydrogen storage applications:Ab initiodensity functional calculations

Aijun Du、Sean C. Smith、Gao Qing Lu2006-11-08Physical Review B

${\mathrm{NaAlH}}_{4}$ and ${\mathrm{LiBH}}_{4}$ are potential candidate materials for mobile hydrogen storage applications, yet they have the drawback of being highly stable and desorbing hydrogen only at elevated temperatures. In this letter, ab initio density functional theory calculations reveal how the stabilitie…

Hydrogen Storage and MaterialsHybrid Renewable Energy SystemsAmmonia Synthesis and Nitrogen Reduction

Dendron-Functionalized Superparamagnetic Nanoparticles with Switchable Solubility in Organic and Aqueous Media: Matrices for Homogeneous Catalysis and Potential MRI Contrast Agents

Chuansong Duanmu、Indrajit Saha、Yan Zheng 等 5 位作者2006-11-08Chemistry of Materials

Maghemite nanoparticles protected with a shell of Simanek (melamine) dendrons of three different generations were achieved via multiple-step syntheses. The resulting nanoclusters exhibited switchable solubility in various solvents and were examined as soluble matrices for supporting magnetically recoverable homogeneou…

Dendrimers and Hyperbranched PolymersNanocluster Synthesis and ApplicationsSynthesis and Characterization of Heterocyclic Compounds

Metallacycles of Iron, Zinc, and Cadmium Assembled by Polytopic Bis(pyrazolyl)methane Ligands and Fluoride Abstraction from BF4-

Daniel L. Reger、Russell P. Watson、J.R. Gardinier 等 5 位作者2006-11-08Inorganic Chemistry

Reactions of the arene-linked bis(pyrazolyl)methane ligands m-bis[bis(1-pyrazolyl)methyl]benzene (m-[CH(pz)2]2C6H4, Lm) and 1,3,5-tris[bis(1-pyrazolyl)methyl]benzene (1,3,5-[CH(pz)2]3C6H3, L3) with BF4- salts of divalent iron, zinc, and cadmium result in fluoride abstraction from BF4- and formation of fluoride-bridged…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesFluorine in Organic Chemistry