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Combinatorial Screening of Complex Block Copolymer Assembly with Self-Consistent Field Theory

François Drolet、Glenn H. Fredrickson1999-11-22OpenAlex

We describe a numerical implementation of self-consistent mean field theory for block copolymers that requires no assumption of the mesophase symmetry. The method is amenable to massively parallel screening of self-assembly in complex block copolymer systems, characterized by high-dimensional parameter spaces. We illu…

Advanced Polymer Synthesis and CharacterizationBlock Copolymer Self-AssemblyMachine Learning in Materials Science

An oxide-diluted magnetic semiconductor: Mn-doped ZnO

Tomoteru Fukumura、Zhengwu Jin、Akira Ohtomo 等 5 位作者1999-11-22OpenAlex

Epitaxial thin films of an oxide-diluted magnetic semiconductor, Mn-doped ZnO, were fabricated by pulsed-laser deposition technique. Solubility of Mn into ZnO exceeds thermal equilibrium limit as a result of nonequilibrium film growth process. As Mn content is increased, the lattice constants of both a and c axes of w…

ZnO doping and propertiesCopper-based nanomaterials and applicationsGa2O3 and related materials

Spectroscopy of Single Hemoglobin Molecules by Surface Enhanced Raman Scattering

Hongxing Xu、Erik J. Bjerneld、Mikael Käll 等 4 位作者1999-11-22OpenAlex

We demonstrate the detection of molecular vibrations in single hemoglobin (Hb) protein molecules attached to isolated and immobilized silver nanoparticles by surface enhanced Raman scattering (SERS). A comparison between calculation and experiment indicates that electromagnetic field effects dominate the surface enhan…

Gold and Silver Nanoparticles Synthesis and ApplicationsSpectroscopy and Quantum Chemical StudiesProtein Interaction Studies and Fluorescence Analysis

Oxygen permeation through films of compatibilized polypropylene/polyamide 6 blends

Pier Luigi Beltrame、Cristiano Citterio、Giovanni Testa 等 4 位作者1999-11-21Journal of Applied Polymer Science

Polypropylene/polyamide 6 blends were prepared by melt mixing, without or with the addition of a suitable commercial product, a polypropylene grafted with 1% maleic anhydride, used as an interfacial modifier. The oxygen permeation through their films was studied as a function of temperature and the effect of the prese…

Polymer crystallization and propertiesPolymer Science and PVC

Residual metal content in Ethylene-Propylene-Diene Monomers synthesized using vanadium- and zirconocene-based catalysts

M. Haag、João Henrique Zimnoch dos Santos、F. C. Stedile 等 4 位作者1999-11-21Journal of Applied Polymer Science

Ethylene-propylene-diene monomer (EPDM) terpolymers were prepared using either vanadium (VOCl3/Al2Et3Cl3) or zirconocene (Et(Ind)2ZrCl2/MAO) catalyst systems. Residual metal contents in EPDM films were determined by Rutherford backscattering spectrometry. Metallocene catalyst systems exhibited a higher activity, produ…

Organometallic Complex Synthesis and CatalysisCorrosion Behavior and InhibitionPolymer Nanocomposites and Properties

Polymerization of styrene in the presence of polybutadiene: determination of the molecular structure

Diana A. Estenoz、I. M. Gonz�lez、Haydée Oliva 等 4 位作者1999-11-21Journal of Applied Polymer Science

This work experimentally and theoretically determines the molecular macrostructure of the polymer mixture that is developed (at relatively low conversions) in a solution polymerization of styrene (St) in presence of polybutadiene (PB). The reaction was carried out at 70°C in a batch-stirred tank reactor. From samples…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Effect of functionality levels and compatibility of polycarbonate blends with maleic anhydride grafted ABS

Sangeeth Balakrishnan、N. R. Neelakantan、Sellamuthu N. Jaisankar1999-11-21Journal of Applied Polymer Science

ABS was melt grafted with maleic anhydride at three different levels of 1, 2, and 3 wt %. These three different modified ABSs were melt blended with polycarbonate using a single-screw extruder to choose a suitable maleic anhydride grafting level on ABS for better performance. For the compatibility study, binary blends…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesNatural Fiber Reinforced Composites

Synthesis and characterization of novel ABA triblock copolymers fromL-lactide, glycolide, and PEG

Jamshid Mohammadi‐Rovshandeh、S. Morteza F. Farnia、M. N. Sarbolouki1999-11-21Journal of Applied Polymer Science

A series of novel triblock copolymers, consisting of a poly(ethylene glycol) center block joined by two blocks of random L-lactide/glycolide copolymers, are synthesized and their characteristics (spectral, thermal, and mechanical) determined. Polymer compositions and structures are assessed via 1H-NMR and 13C-NMR spec…

Nanocomposite Films for Food PackagingPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Electrically conductive textiles byin situ polymerization of aniline

Kyung Wha Oh、Kyung Hwa Hong、Seong Hun Kim1999-11-21Journal of Applied Polymer Science

Two methods of obtaining electrically conductive fabrics by in situ polymerization of aniline were compared. Conductive fabrics were prepared by immersing the nylon 6 fabrics in 100% aniline or an aqueous hydrochloride solution of aniline followed by initiating successive polymerization in a separate bath (DPSB) or in…

Organic Electronics and PhotovoltaicsAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Steam-exploded residual softwood-filled polypropylene composites

M. Neus Angl�s、Joan Salvad�、Alain Dufresne1999-11-21Journal of Applied Polymer Science

Residual softwood sawdust was pretreated by a steam-explosion technique. It was used as a natural filler in polypropylene (PP)-based composites. Dynamic mechanical analysis and tensile properties of these materials were studied. The influence of filler loading, steam-explosion severity, and coating the fiber with a fu…

Wood Treatment and PropertiesNatural Fiber Reinforced CompositesFiber-reinforced polymer composites

Regeneration of nanoporous crystalline syndiotactic polystyrene by supercritical CO2

Ernesto Reverchon、Gaetano Guerra、Vincenzo Venditto1999-11-21Journal of Applied Polymer Science

Guest desorption procedures for s-PS clathrate samples, leading to formation and regeneration of the nanoporous δ phase, are compared. An extraction procedure, based on supercritical carbon dioxide, allows an easy and fast recovery of the guest molecules operating under relatively mild conditions (90–200 bar, 40°C) an…

Phase Equilibria and ThermodynamicsMesoporous Materials and CatalysisPolymer Foaming and Composites

Estimation and characterization of polyester oligomers

Sanjeev R. Shukla、Kopal Kulkarni1999-11-21Journal of Applied Polymer Science

Oligomers were obtained from polyester samples by solvent extraction and dissolution methods. Dioxane, chloroform, and chlorobenzene were used for the extraction method, whereas dimethyl formamide and phenol : tetrachloroethane (1 : 1 mixture) were used for the dissolution method. The oligomers were separated and anal…

Polymer crystallization and propertiesFiber-reinforced polymer compositesMaterial Properties and Processing

Synthesis of Double and Quadruple Butterfly Fe/S Cluster Complexes via a Novel Type of Reaction of Anions (μ-RS)(μ-S-)[Fe2(CO)6]2(μ4-S) with Succinyl Chloride

Li‐Cheng Song、Guo‐Liang Lu、Qing‐Mei Hu 等 4 位作者1999-11-20Organometallics

The bridging sulfido anions (μ-RS)(μ-S - ) [Fe 2 (CO) 6 ] 2 (μ 4 -S) ( 4a ) react with succinyl chloride in THF to give double and quadruple butterfly Fe/S clusters (μ-RS)(μ-RSS)[Fe 2 (CO) 6 ] 2 (μ 4 -S) ( 5a, R = Et; 6a, R = t-Bu) and [(μ-RS)Fe 2 (CO) 6 (μ 4 -S)Fe 2 (CO) 6 ] 2 (μ-S−S-μ) ( 5b, R = Et; 6b, R = t-Bu), u…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetalloenzymes and iron-sulfur proteins

Anisochemical Homopolymer/Diblock Copolymer Thin Film Blends

M. D. Smith、Peter F. Green、Randall S. Saunders1999-11-20Macromolecules

We examined the effect of the addition of homopolymers tetramethylbisphenol A polycarbonate, TMPC, and poly(norbornene−methyl- d 3 -carboxylate), NBMC, on the interlamellar spacing and the phase stability of symmetric poly(styrene- b -methyl methacrylate) diblock copolymer thin films on silicon substrates. The films w…

Theoretical and Computational PhysicsBlock Copolymer Self-AssemblyFluid Dynamics and Thin Films

Dynamics of the Tyrosine Side Chain in Bombyx mori and Samia cynthia ricini Silk Fibroin Studied by Solid State 2H NMR

Tsunenori Kameda、Youhei Ohkawa、Keiko Yoshizawa 等 7 位作者1999-11-20Macromolecules

Solid-state deuterium NMR ( 2 H NMR) was used to study the dynamics of the tyrosine (Tyr) residue in silk fibroin from Bombyx mori ( B. mori ) and Samia cynthia ricini ( S. c. ricini ). Specifically deuterated cocoon silk was obtained by feeding silk worms with Tyr, labeled either at the C β carbon ([3,3- 2 H 2 ]Tyr)…

RNA Interference and Gene DeliveryAntimicrobial Peptides and ActivitiesSilk-based biomaterials and applications

Cross-Conjugated Bis(porphryin)s: Synthesis, Electrochemical Behavior, Mixed Valency, and Biradical Dication Formation

David A. Shultz、Hyoyoung Lee、R. Kumar 等 4 位作者1999-11-20The Journal of Organic Chemistry

The synthesis and characterization of seven (Zn II ) 2 bis(porphyrin) molecules are described. The molecular structures of two bis(porphyrin)s ( 6 and 7 ) were determined by X-ray diffraction methods. Four of the compounds have their porphyrin moieties attached in a meta -fashion to a substituted benzene ring ( 1 − 4…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation Mechanisms

Determination of the Inelastic Mean Free Path of Electrons in Different Polyaniline Samples

B. Lesiak、A. Jabłoński、J. Zemek 等 5 位作者1999-11-20Langmuir

Polyaniline specimens, emeraldine sulfate, emeraldine hydrochloride, and emeraldine base, were characterized by infrared spectroscopy, X-ray photoelectron spectroscopy, elastic peak electron spectroscopy, and density measurements using helium pycnometry. This work has been stimulated by a considerable interest in pote…

Conducting polymers and applicationsAnalytical Chemistry and SensorsElectron and X-Ray Spectroscopy Techniques

Magnetic Anisotropy of Two Cyclic Hexanuclear Fe(III) Clusters Entrapping Alkaline Ions

O. Waldmann、J. Schülein、Robert J. Koch 等 9 位作者1999-11-20Inorganic Chemistry

The magnetic anisotropy of the two cyclic hexanuclear Fe(III) clusters [Li⊂Fe 6 L 6 ]Cl·6CHCl 3 and [Na⊂Fe 6 L 6 ]Cl·6CHCl 3, L = N(CH 2 CH 2 O) 3, was investigated. Based on a spin Hamiltonian formalism, the magnetic anisotropy was calculated exactly to first order, i.e., in the strong exchange limit, using Bloch's p…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesAdvanced NMR Techniques and Applications

Effect of Water Vapor on Reaction Rates of Limestone-Catalyzed NH3 Oxidation and Reduction of N2O under Fluidized Bed Combustion Conditions

Tadaaki Shimizu、Masanori Hasegawa、Makoto Inagaki1999-11-20Energy & Fuels

The effect of water vapor concentration on the reaction rates of NH 3 oxidation and N 2 O decomposition catalyzed by calcined limestone was investigated by use of a fixed bed reactor under atmospheric fluidized bed combustion conditions. Both reactions were inhibited by the presence of water vapor. Inhibition of NH 3…

Advanced Combustion Engine TechnologiesCatalytic Processes in Materials ScienceIndustrial Gas Emission Control

Enzyme-catalyzed polycondensation reactions for the synthesis of aromatic polycarbonates and polyesters

Rebecca L. Rodney、Bryan T. Allinson、Eric J. Beckman 等 4 位作者1999-11-20Biotechnology and Bioengineering

Aromatic polymers are widely used in products ranging from optical lenses to milk bottles because of their strength, thermal durability, and high glass transition temperatures. All of the commonly used routes employed to generate aromatic polycarbonates and polyesters generate large amounts of waste as by-products and…

Enzyme Catalysis and Immobilizationbiodegradable polymer synthesis and propertiesClick Chemistry and Applications