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Solute molecular dynamics in a mesoscale solvent

Anatoly Malevanets、Raymond Kapral2000-04-22OpenAlex

A hybrid molecular dynamics (MD) algorithm which combines a full MD description of solute–solute and solute–solvent interactions with a mesoscale treatment of solvent-solvent interactions is developed. The solvent dynamics is modeled on a mesoscale level by coarse graining the system into cells and updating the veloci…

Material Dynamics and PropertiesSpectroscopy and Quantum Chemical StudiesAdvanced Thermodynamics and Statistical Mechanics

pH-Dependent Thickness Behavior of Sequentially Adsorbed Layers of Weak Polyelectrolytes

Seimei Shiratori、Michael F. Rubner2000-04-22OpenAlex

A detailed study of the role that solution pH plays in the layer-by-layer processing of the weak polyelectrolytes poly(acrylic acid) and poly(allylamine hydrochoride) was carried out. It was found that dramatically different polymer adsorption behavior is observed as one systematically increases (or decreases) the cha…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Protein−Silicone Synergism at Liquid/Liquid Interfaces

Vasiliki Bartzoka、Gladys Chan、Michael A. Brook2000-04-21Langmuir

In previous studies nonionic organofunctional silicones were shown to enhance the intimacy of protein−silicone interactions at solid−liquid interfaces. In the current studies the same phenomenon was shown to manifest itself, even more clearly, at liquid−liquid interfaces. Proteins or silicones by themselves were unabl…

Mesoporous Materials and CatalysisPolymer Surface Interaction StudiesDiatoms and Algae Research

Mesoporous Gallium Oxide Structurally Stabilized by Yttrium Oxide

Mitsunori Yada、Masahumi Ohya、Masato Machida 等 4 位作者2000-04-21Langmuir

ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTMesoporous Gallium Oxide Structurally Stabilized by Yttrium OxideMitsunori Yada, Masahumi Ohya, Masato Machida, and Tsuyoshi KijimaView Author Information Department of Applied Chemistry, Faculty of Engineering, Miyazaki University, Miyazaki 889-2192, Japan Cite this: Langmuir…

Mesoporous Materials and CatalysisGa2O3 and related materialsMagnesium Oxide Properties and Applications

Preparation and Polymerization of Ethylene 2,6-Naphthalenedicarboxylate Cyclic Oligomers

Ji Ho Youk、R. P. Kambour、William J. MacKnight2000-04-21Macromolecules

Ethylene 2,6-naphthalenedicarboxylate cyclic oligomers (ENCs) were prepared by the ring/chain equilibration (cyclodepolymerization) of poly(ethylene 2,6-naphthalenedicarboxylate) (PEN) in dilute solution of biphenyl and polymerized with antimony trioxide. ENCs thus prepared consisted of a distribution of oligomeric sp…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Spectroscopic and Solution Properties of Phenoxyphosphazene Random Copolymers Containing Optically Active Binaphthoxy Groups

Gabino A. Carriedo、Francisco J. Garcı́a Alonso、Paloma Gómez Elipe 等 9 位作者2000-04-21Macromolecules

The reaction of a mixture of [NPCl 2 ] n and Cs 2 CO 3 first with ( R )-(+)-1,1‘-binaphthyl-2,2‘-diol (HO−C 10 H 6 −C 10 H 6 −OH) (binaphthol) and subsequently with phenol (HO−C 6 H 5 ) in refluxing 1,4-dioxane gave the series of the optically active random copolymers {[NP(O 2 C 20 H 12 )] x [NP(OC 6 H 5 ) 2 ] 1 - x }…

Molecular Sensors and Ion DetectionLuminescence and Fluorescent MaterialsFlame retardant materials and properties

Small-Angle Neutron Scattering Study of a Cylinder-to-Sphere Order−Order Transition in Block Copolymers

Ramanan Krishnamoorti、A. S. Silva、M. A. Modi 等 4 位作者2000-04-21Macromolecules

The pathway and kinetics of the order−order transition from shear-aligned cylindrical microdomains to spheres arranged on a bcc lattice in a highly asymmetrical block copolymer are monitored using small-angle neutron scattering (SANS). Shear-aligned hexagonally closed-packed cylindrical microdomains were heated to the…

Theoretical and Computational PhysicsRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Determination of the Charge on BEDO-TTF in Its Complexes by Raman Spectroscopy

O.O. Drozdova、Hideki Yamochi、Kyuya Yakushi 等 6 位作者2000-04-21Journal of the American Chemical Society

Raman spectroscopy was employed as a fast and exact general method to determine the charge on BEDO-TTF (BO) in its complexes in any sample form such as single crystals, powders, and dispersed polymer films. Linear dependencies between the frequencies of two totally symmetric C C stretching modes and the charge on BO w…

Magnetism in coordination complexesMolecular Junctions and NanostructuresOrganic and Molecular Conductors Research

Spectroscopic Study of the Nitric Oxide Adlayers Formed from Nitrous Acid Solutions on Palladium-Covered Platinum Single-Crystal Electrodes

B. Álvarez、Antonio Rodes、Juan Manuel Pérez 等 6 位作者2000-04-21Langmuir

Palladium multilayers deposited on Pt(111), Pt(100), and Pt(110) single-crystal electrodes have been characterized by using adsorbed nitric oxide as a probe molecule. Nitric oxide adlayers can be easily formed on the palladium-covered electrodes from nitrous acid or NO-saturated solutions and are stable under electroc…

Electrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceAdvanced Memory and Neural Computing

Pathway and Kinetics of Cylinder-to-Sphere Order−Order Transition in Block Copolymers

Ramanan Krishnamoorti、M. A. Modi、M. F. Tse 等 4 位作者2000-04-21Macromolecules

The pathway and kinetics for the cylinder-to-sphere order−order transition in a mixture of a matched diblock and triblock copolymer of styrene and ethylene−butene-1 is reported. The microstructure transformation was monitored by viscoelastic measurements, and the structural assignments of the intermediate states were…

Advanced Polymer Synthesis and CharacterizationRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Adsorption of Lysozyme onto the Silicon Oxide Surface Chemically Grafted with a Monolayer of Pentadecyl-1-ol

Tao Su、Rebecca Green、Y. Wang 等 7 位作者2000-04-21Langmuir

The adsorption of chicken egg white lysozyme at the functionalized silicon oxide−solution interface has been studied using the combined measurement of spectroscopic ellipsometry and neutron reflection. The solid oxide surface was modified by coating a self-assembled monolayer of pentadecyltrichlorosilane with terminal…

Surfactants and Colloidal SystemsPolymer Surface Interaction StudiesProtein Interaction Studies and Fluorescence Analysis

Surface Mobility of 2-Methacryloyloxyethyl Phosphorylcholine-co-Lauryl Methacrylate Polymers

Stuart M. Clarke、Martyn C. Davies、Clive J. Roberts 等 8 位作者2000-04-21Langmuir

To design new polymers for use in vivo it is necessary to characterize the surface of the material to understand the interactions that occur when it is exposed to biological environments. Incorporation of phosphorylcholine (PC) into polymers has been shown to improve biocompatibility by suppressing unfavorable respons…

Analytical chemistry methods developmentPolymer Surface Interaction StudiesBlood properties and coagulation

Low Velocity Impact and Compression-After-Impact Response of Z-Pin Reinforced Core Sandwich Composites

U. K. Vaidya、Anthony N. Palazotto、L. N. B. Gummadi2000-04-21Journal of Engineering Materials and Technology

In the current work, sandwich composite structures with innovative constructions referred to as Z-pins, or truss core pins, are investigated. The Z-pin core sandwich construction offers enhanced transverse stiffness, high damage resistance, and multi-functional benefits. The present study deals with analysis of low-ve…

Mechanical Behavior of CompositesHigh-Velocity Impact and Material BehaviorStructural Response to Dynamic Loads

Effects of Silanol Density, Distribution, and Hydration State of Fumed Silica on the Formation of Self-Assembled Monolayers of n-Octadecyltrichlorosilane

Rongwei Wang、Stephanie L. Wunder2000-04-21Langmuir

The saturation adsorption of octadecyltrichlorosilane (OTS) on two fumed silicas [Aerosil 380 (A380), Aerosil OX50 (OX50)] was investigated as a function of their hydration states. The amount of water adsorbed onto the fumed silica was in the order superhydrated A380 > as is A380 ∼ superhydrated OX50 > as is OX50. The…

Mesoporous Materials and CatalysisPolymer Surface Interaction StudiesMolecular Junctions and Nanostructures

Polymerization of Ethylene Terephthalate Cyclic Oligomers with Antimony Trioxide

Ji Ho Youk、R. P. Kambour、William J. MacKnight2000-04-21Macromolecules

Conditions for polymerizing ethylene terephthalate cyclic oligomers (ETCs) with the catalyst antimony trioxide were investigated with the ultimate goal in mind of using ETCs to produce high-performance poly(ethylene terephthalate) (PET) composites. The ETCs used were prepared both by a direct synthesis method and by c…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesSynthesis and properties of polymers

Amphiphilic Dendrimers with Both Octyl and Triethylenoxy Methyl Ether Chain Ends

Yijun Pan、Warren T. Ford2000-04-21Macromolecules

Tertiary amine dendrimers with both hydrophilic and hydrophobic chains on every end were synthesized from poly(propyleneimine) dendrimers DAB- dendr -(NH 2 ) n ( n = 8, 32, and 64) using sequential amidations and LiAlH 4 reductions. The tertiary amine dendrimers were quaternized completely with methyl iodide and conve…

RNA Interference and Gene DeliveryLuminescence and Fluorescent MaterialsDendrimers and Hyperbranched Polymers

Rhodium Dispersion in a Rh/Ce0.68Zr0.32O2 Catalyst Investigated by HRTEM and H2 Chemisorption

José M. Gatica、Richard T. Baker、Paolo Fornasiero 等 6 位作者2000-04-21The Journal of Physical Chemistry B

The effect of reduction temperature on the hydrogen adsorption and Rh dispersion in a Rh/Ce 0.68 Zr 0.32 O 2 catalyst with texturally stable Ce 0.68 Zr 0.32 O 2 support was investigated. Rh dispersion data were also obtained from Rh particle size analyses made using high-resolution transmission electron microscopy (HR…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesCatalysis and Oxidation Reactions

Amine Cured Epoxide Networks: Formation, Structure, and Properties

Libor Matějka2000-04-21Macromolecules

Various types of epoxide−amine networks based on diglycidyl ether of Bisphenol A (DGEBA), diglycidylaniline (DGA), or TGDDM were prepared, and the effect of the reaction mechanism on network formation, its structure, and properties was investigated. Structure evolution was followed, and fraction of the sol, equilibriu…

Polymer Nanocomposites and PropertiesSynthesis and properties of polymersSilicone and Siloxane Chemistry

Lattice Disordering/Ordering and Demicellization/Micellization Transitions in Highly Asymmetric Polystyrene-block-Polyisoprene Copolymers

Chang Dae Han、Nitin Y. Vaidya、Do Yun Kim 等 6 位作者2000-04-21Macromolecules

Two kinds of transitions involving a change in molecular assembly, lattice disordering/ordering transition (LDOT) and demicellization/micellization transition (DMT), in highly asymmetric polystyrene- block -polyisoprene (SI diblock) copolymers were investigated using oscillatory shear rheometry, transmission electron…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Temperature Effect on Supramolecular Chirality Induction in Bis(zinc porphyrin)

Victor Borovkov、Juha M. Lintuluoto、Michiya Fujiki 等 4 位作者2000-04-21Journal of the American Chemical Society

The achiral syn folded conformer (face-to-face) of the ethane-bridged bis(Zn porphyrin) gradually transforms into the chiral extended anti form in the presence of enantiopure guest molecules (alcohols or amines) upon lowering the temperature from 293 to 183 K. The mechanism of the supramolecular chirality induction is…

Photosynthetic Processes and MechanismsSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry