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Configurational temperature thermostat for fluids undergoing shear flow: application to liquid chlorine

Jérôme Delhommelle、Denis J. Evans2001-11-10Molecular Physics

Non-equilibrium molecular dynamics (NEMD) simulations play a major role in characterizing the rheological properties of fluids undergoing shear flow. However, all previous studies of flows in molecular fluids either use an ‘atomic’ thermostat which makes incorrect assumptions concerning the streaming velocity of atoms…

Protein Structure and DynamicsPhase Equilibria and ThermodynamicsMaterial Dynamics and Properties

The Structure of l-Ribulose-5-Phosphate 4-Epimerase: An Aldolase-like Platform for Epimerization,

Yu Luo、Jomy Samuel、S.C. Mosimann 等 6 位作者2001-11-10Biochemistry

The structure of L-ribulose-5-phosphate 4-epimerase from E. coli has been solved to 2.4 A resolution using X-ray diffraction data. The structure is homo-tetrameric and displays C(4) symmetry. Each subunit has a single domain comprised of a central beta-sheet flanked on either side by layers of alpha-helices. The activ…

Enzyme Structure and FunctionErythrocyte Function and PathophysiologyDiet, Metabolism, and Disease

Diffractive exit-pupil expander for display applications

Hakan Ürey2001-11-10Applied Optics

Two-dimensional binary diffraction gratings can be used in wearable display applications as exit-pupil expanders (EPEs) (or numerical-aperture expanders) to increase the size of the display exit pupil. In retinal scanning displays the EPE is placed at an intermediate image plane between the scanners and the display ex…

Advanced Optical Imaging TechnologiesOptical Coherence Tomography ApplicationsOptical Coatings and Gratings

Organization of Peptide Nanotubes into Macroscopic Bundles

Hiroshi Matsui、Gary E. Douberly2001-11-10Langmuir

A simple chemical method to assemble peptide nanotubes and simultaneously arrange them into macroscopic bundles is reported. The peptide nanotubes, self-assemblies of the bolaamphiphilic peptide monomer bis( N -α-amido-glycylglycine)-1,7-heptane dicarboxylate, appeared in acidic solution within 1 week. In the presence…

Chemical Synthesis and AnalysisSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Synthesis and Characterization of Photosensitive Polyimides for Optical Applications

Kye-Hyun Kim、Seyoung Jang、Frank W. Harris2001-11-10Macromolecules

The objective of this research was to prepare colorless photosensitive polyimides for optical applications. In the first approach to these materials two new photosensitive end-capping agents, i.e., 6-(4-aminophenoxy)hexyl methacrylate and di[2-(methacryloyloxyethyl)] 5-aminoisophthalate, for polyimides were prepared.…

Synthesis and properties of polymersSilicone and Siloxane ChemistryPhotopolymerization techniques and applications

Polymeric Nanofibers Prepared from Self-Organized Supramolecules

K. de Moel、Gert O. R. Alberda van Ekenstein、Harry Nijland 等 7 位作者2001-11-10Chemistry of Materials

A facile concept to prepare nano-objects based on self-organizing polymeric supramolecules (also called supramolecular block copolymers) is demonstrated using one particular shape, i.e., nanorods or nanofibers. Cylindrical aggregates consisting of a polystyrene (PS) core and a thin corona of poly(4-vinylpyridine) (P4V…

Advanced Polymer Synthesis and CharacterizationSupramolecular Self-Assembly in MaterialsBlock Copolymer Self-Assembly

Spectroscopic Study of Nitroaromatic−Smectite Sorption Mechanisms

Cliff T. Johnston、Maurílio Fernandes de Oliveira、Brian J. Teppen 等 5 位作者2001-11-10Environmental Science & Technology

Sorption mechanisms of 1,3- and 1,4-dinitrobenzene, 1,3,5-trinitrobenzene (TNB), dinitro-o-creasol, and 6-sec-butyl-2,4-dinitrophenol (DINOSEB) on smectite were investigated using FTIR spectroscopy and HPLC methods. A quantitative method was developed that established a direct link between the HPLC and the FTIR data.…

Adsorption and biosorption for pollutant removalClay minerals and soil interactionsIron oxide chemistry and applications

Unsymmetrical Disulfides and Thiol Mixtures Produce Different Mixed Monolayer-Protected Gold Clusters

Young‐Seok Shon、Carolyn L. Mazzitelli、Royce W. Murray2001-11-10Langmuir

Synthesis of mixed monolayer-protected Au clusters (MPCs) from unsymmetrical disulfides (HO(CH 2 ) 11 SS(CH 2 ) 11 CH 3 ) yields clusters with a 1:1 composition of HO(CH 2 ) 11 S− and CH 3 (CH 2 ) 11 S− thiolates, whereas products from reaction of a 1:1 mixture of thiols (HO(CH 2 ) 11 SH and CH 3 (CH 2 ) 11 SH) contai…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesNanocluster Synthesis and Applications

Tris(pyridinealdoximato)metal Complexes as Ligands for the Synthesis of Asymmetric Heterodinuclear CrIIIM Species [M = Zn(II), Cu(II), Ni(II), Fe(II), Mn(II), Cr(II), Co(III)]: A Magneto−Structural Study

S. Ross、Thomas Weyhermüller、Eckhard Bill 等 5 位作者2001-11-10Inorganic Chemistry

Reactions of the LCr(III) unit with an in situ prepared M(PyA)(3)(n-) ion, where L represents 1,4,7-trimethyl-1,4,7-triazacyclononane and PyA(-) is the monoanion of pyridine-2-aldoxime, yield heterodinuclear complexes of general formula [LCr(III)(PyA)(3)M](2+/3+) as perchlorate salts, where M = Cr(II) (1), Mn(II) (2),…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Dielectric behaviour of propylene glycol-water mixtures studied by time domain reflectometry

R.J. Sengwa、Rakhee Chaudhary、S. C. Mehrotra2001-11-10Molecular Physics

Dielectric relaxation measurements on water mixtures of propylene glycol across the entire concentration range were carried out using time domain reflectometry at 25°C over the frequency range from 10 MHz to 4 GHz. For all the mixtures, only one dielectric loss peak was observed in this frequency range. The relaxation…

Material Dynamics and PropertiesGlass properties and applicationsSpectroscopy and Quantum Chemical Studies

The Order−Disorder Transition and the Disordered Micelle Regime in Sphere-Forming Block Copolymer Melts

Elena E. Dormidontova、Timothy P. Lodge2001-11-10Macromolecules

The order−disorder transition in a melt of asymmetric micelle-forming diblock copolymers is studied analytically in the strong segregation limit. In contrast to previous calculations by Semenov and by self-consistent mean-field theory, both the translational entropy of the micelles in a disordered micelle regime and t…

Material Dynamics and PropertiesTheoretical and Computational PhysicsBlock Copolymer Self-Assembly

Themoreversible Cross-Linking Rubber Using Supramolecular Hydrogen-Bonding Networks

Keisuke Chino、Makoto Ashiura2001-11-10Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTThemoreversible Cross-Linking Rubber Using Supramolecular Hydrogen-Bonding NetworksKeisuke Chino and Makoto AshiuraView Author Information Research & Development Center, The Yokohama Rubber, Co. Ltd., 2-1 Oiwake, Hiratsuka, Kanagawa 254-8601, Japan Cite this: Macromolecules 200…

Advanced Polymer Synthesis and CharacterizationPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Structure and Properties of Regenerated Cellulose Films Prepared from Cotton Linters in NaOH/Urea Aqueous Solution

Lina Zhang、Dong Ruan、Jinping Zhou2001-11-10Industrial & Engineering Chemistry Research

Regenerated cellulose (RC) films having various viscosity-average molecular weights ( M η ) ranging from 2.2 × 10 4 to 8.2 × 10 4 g/mol were prepared from cotton linters in 6 wt % NaOH/4 wt % urea aqueous solution by coagulation with 2 M acetic acid and 2% H 2 SO 4 aqueous solution. The dissolution of cellulose and th…

Advanced Cellulose Research StudiesLignin and Wood ChemistryMaterial Properties and Processing

Molecular Dynamics Simulation of Contact Angles of Water Droplets in Carbon Nanotubes

T. Werder、Jens Honoré Walther、Richard L. Jaffe 等 6 位作者2001-11-10Nano Letters

We study the behavior of water droplets confined in a carbon nanotube by means of parallel molecular dynamics simulations. We report radial density profiles, radial hydrogen bond distributions, and contact angles for tube radii ranging from 12.5 to 37.5 Å and for droplets containing up to 4632 water molecules. Our res…

Carbon Nanotubes in CompositesSurface Modification and SuperhydrophobicityNanopore and Nanochannel Transport Studies

Substituent Effects on Microstructure and Polymerization of Polyalkylsilsesquioxanes

Hie-Joon Kim、Jinkyu Lee、Jin-Bum Kim 等 7 位作者2001-11-09Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTSubstituent Effects on Microstructure and Polymerization of PolyalkylsilsesquioxanesHie-Joon Kim, Jin-Kyu Lee, Jin-Bum Kim, Eun Su Park, Sung-Jun Park, Dae Young Yoo, and Do Y. YoonView Author Information School of Chemistry, Seoul National University Seoul 151-747, Ko…

Advanced ceramic materials synthesisSynthesis and properties of polymersSilicone and Siloxane Chemistry

Fluoropolyether coatings: Relationships of electrochemical impedance spectroscopy measurements, barrier properties, and polymer structure

M. Delucchi、Stefano Turri、Antonio Barbucci 等 6 位作者2001-11-09Journal of Polymer Science Part B Polymer Physics

Abstract Ten model coatings, selected and obtained from a family of fluorinated resins synthesized by the reaction of perfluoroether oligomeric diols of different molecular weights with polyisocyanurates of hexamethylenediisocyanate (HDI) and isophoronediisocyanate (IPDI), were characterized with differential scanning…

Corrosion Behavior and InhibitionSynthesis and properties of polymersSilicone and Siloxane Chemistry

Chalcogen-Rich Lanthanide Clusters: Cluster Reactivity and the Influence of Ancillary Ligands on Structure

Anna Y. Kornienko、Thomas J. Emge、John G. Brennan2001-11-09Journal of the American Chemical Society

Ytterbium metal reacts with PhEEPh (E = S, Se, Te) and elemental Se in pyridine to give (pyridine)(8)Yb(4)(SeSe)(2)(Se)(2)(mu(2)-SPh)(2)(SPh)(2), (py)(8)Yb(4)Se(SeSe)(3)(SeSeSePh)(Se(0.38)SePh), and (py)(8)Yb(4)Se(SeSe)(3)(SeSeTePh)(SeTePh), respectively. The SePh and TePh compounds contain a square array of Ln(III) i…

Lanthanide and Transition Metal ComplexesNanocluster Synthesis and ApplicationsInorganic Chemistry and Materials

Ultrathin Film Electrodeposition of Polythiophene Conjugated Networks through a Polymer Precursor Route

Chuanjun Xia、Xiaowu Fan、Mi-Kyoung Park 等 4 位作者2001-11-09Langmuir

The electrodeposition of polysiloxane precursor polymers to form cross-linked conjugated polythiophene ultrathin films is described. The precursor polymer contains a polysiloxane backbone with pendant electroactive thiophene monomer units synthesized via a hydrosilylation reaction. The thiophene units were electropoly…

Organic Electronics and PhotovoltaicsConducting polymers and applicationsLuminescence and Fluorescent Materials

Geranylgeranylglyceryl Phosphate Synthase. Characterization of the Recombinant Enzyme from Methanobacterium thermoautotrophicum

Tim Soderberg、Anjun Chen、C. Dale Poulter2001-11-09Biochemistry

Geranylgeranylglyceryl diphosphate synthase (GGGP synthase) catalyzes alkylation of (S)-glyceryl phosphate [(S)-GP] by geranylgeranyl diphosphate (GGPP) to produce (S)-geranylgeranylglyceryl phosphate [(S)-GGGP]. This reaction is the first committed step in the biosynthesis of ether-linked membrane lipids in Archaea.…

Enzyme Structure and FunctionPlant biochemistry and biosynthesisBiochemical and Molecular Research

Electrochromic Properties of Laminate Devices Fabricated from Polyaniline, Poly(ethylenedioxythiophene), and Poly(N-methylpyrrole)

Jeffrey L. Boehme、Dhurjati S. K. Mudigonda、John P. Ferraris2001-11-09Chemistry of Materials

Electrochromic devices composed of laminated polymer layers, as the working electrode, and vanadium pentoxide, as the counter electrode, were prepared and evaluated. Three different laminate systems were investigated using various combinations of poly(3,4-ethylenedioxythiophene), poly( N -methylpyrrole), and polyanili…

Conducting polymers and applicationsTransition Metal Oxide NanomaterialsAnalytical Chemistry and Sensors