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Electronic structure and conductivity of ferroelectric hexaferrite:Ab initiocalculations

K. Knı́žek、P. Novák、Michaela Küpferling2006-04-18Physical Review B

${\mathrm{Ba}}_{0.5}{\mathrm{Sr}}_{1.5}{\mathrm{Zn}}_{2}{\mathrm{Fe}}_{12}{\mathrm{O}}_{22}$ is a promising multiferroic compound in which the electric polarization is intimately connected to the magnetic state. In principle, ferroelectrity might exist above the room temperature, but the electrical conductivity that i…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMagnetic Properties and Synthesis of Ferrites

Size-dependent diffusion in an aging colloidal glass

Douglas R. Strachan、Gokul C. Kalur、Srinivasa R. Raghavan2006-04-18Physical Review E

Colloidal dispersions of Laponite platelets are known to age slowly from viscous sols to colloidal glasses. We follow this aging process by monitoring the diffusion of probe particles embedded in the sample via dynamic light scattering. Our results show that the time-dependent diffusion of the probe particles scales w…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesMineralogy and Gemology Studies

The Role of Oxidation in the Migration Mechanism of Layered Silicate in Poly(propylene) Nanocomposites

Mauro Zammarano、Jeffrey W. Gilman、Marc R. Nyden 等 5 位作者2006-04-18Macromolecular Rapid Communications

Abstract Summary: Evidence of clay migration from the core to the surface of poly(propylene)/montmorillonite nanocomposites is provided. A three‐ to fivefold increase in the clay concentration of the surface is obtained during isothermal heating in oxidative atmosphere. The mechanism of migration is investigated by me…

Polymer Nanocomposites and PropertiesConducting polymers and applicationsPolymer Nanocomposite Synthesis and Irradiation

Comparison of Energy Efficiency of Various Ultrasonic Devices in Aquasonochemical Reactions

Zhilin Wu、J. Lifka、B. Ondruschka2006-04-18Chemical Engineering & Technology

Abstract For economic reasons, reaction rate and energy efficiency of ultrasonic devices need to be higher. In this investigation, it was found that the 850 kHz ultrasonic device achieves a higher energy efficiency and a higher sonochemical reaction rate than the 24 or 30 kHz device during the oxidation of KI or the d…

Ultrasound and Cavitation Phenomena

Transparent superhydrophobic surfaces by self‐assembly of hydrophobic monolayers on nanostructured surfaces

Marianna Kemell、Elina Färm、Markku Leskelä 等 4 位作者2006-04-18physica status solidi (a)

Abstract Transparent superhydrophobic surfaces were prepared by self‐assembly of hydrophobic n‐octa‐ decyltrimethoxysilane (H 3 C(CH 2 ) 17 Si(OCH 3 ) 3 , ODS) and (3,3,3‐trifluoropropyl)trimethoxysilane (F 3 C(CH 2 ) 2 Si(OCH 3 ) 3 , FAS3) monolayers from gas phase on transparent nanoporous alumina surfaces. Water co…

Surface Modification and SuperhydrophobicityFluid Dynamics and Thin FilmsIcing and De-icing Technologies

Novel Water‐Soluble Poly(m‐benzamide)s: Precision Synthesis and Thermosensitivity in Aqueous Solution

Ryuji Sugi、Tomoyuki Ohishi、Akihiro Yokoyama 等 4 位作者2006-04-18Macromolecular Rapid Communications

Abstract Summary: Chain‐growth polycondensations of 3‐aminobenzoic acid methyl esters 1a and 1b , bearing a tri‐ or tetra(ethylene glycol) methyl ether unit on the amino group, respectively, were carried out with lithium hexamethyldisilazide (LiHMDS) as a base and phenyl 4‐methylbenzoate ( 2 ) as an initiator in THF a…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesSynthesis and properties of polymers

Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI

Wenli Zou、Wenjian Liu2006-04-18The Journal of Chemical Physics

The low-lying electronic states of the nickel monohalides, i.e., NiF, NiCl, NiBr, and NiI, are investigated by using multireference second-order perturbation theory with relativistic effects taken into account. For the energetically lowest 11 lambda-S states and 26 omega states there into, the potential energy curves…

Advanced Chemical Physics StudiesMetal and Thin Film MechanicsMetallurgical and Alloy Processes

Mechanical properties of nanocrystalline cobalt

A.A. Karimpoor、U. Erb2006-04-18physica status solidi (a)

Abstract Due to their excellent wear and corrosion properties, nanocrystalline cobalt and several cobalt alloys made by electrodeposition are currently being developed as environmentally benign replacement coatings for hard chromium electrodeposits. The focus of this study is on the mechanical properties of nanocrysta…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsAdvanced materials and composites

Syntheses of Sterically Hindered Pyridinium Phenoxides as Model Compounds in Nonlinear Optics

Vincent Diemer、Hélène Chaumeil、Albert Defoin 等 6 位作者2006-04-18European Journal of Organic Chemistry

Abstract Noncentrosymmetric molecules with a π‐conjugated system and, among them, push–pull molecules such as pyridinium phenoxide, are a promising new class of materials for applications in optoelectronics due to their nonlinear optical (NLO) properties. Modelling studies have indicated that an increase in the twist…

Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchMolecular spectroscopy and chirality

Polymorphic Alternating HNN−Cobalt(II) Chains Both Behaving as Single-Chain Magnets (HNN = 4,4,5,5-Tetramethylimidazolin-1-oxyl 3-Oxide)

N. Ishii、Takayuki Ishida、Takashi Nogami2006-04-18Inorganic Chemistry

Metal-radical alternating chains [Co(hfac)2HNN]n crystallized in two morphs containing repeating all-cis (alpha) and cis,cis,trans (beta) configurations with respect to the O(HNN)-Co-O(HNN) geometry (HNN = 4,4,5,5-tetramethylimidazolin-1-oxyl 3-oxide). Both phases showed magnetization jumps with hysteresis at 2 K. The…

Metal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexesOrganic and Molecular Conductors Research

Structure and Magnetism of [M3]6/7+ Metal Chain Complexes from Density Functional Theory: Analysis for Copper and Predictions for Silver

Marc Bénard、John F. Berry、F. Albert Cotton 等 7 位作者2006-04-18Inorganic Chemistry

The ground-state electronic structure of the trinuclear complex Cu3(dpa)4Cl2 (1), where dpa is the anion of di(2-pyridyl)amine, has been investigated within the framework of density functional theory (DFT) and compared with that obtained for other known M3(dpa)4Cl2 complexes (M = Cr, Co, Ni) and for the still hypothet…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

A Thermodynamically Stable Nanophase Material

Zhang Lin、Benjamin Gilbert、Quanlin Liu 等 5 位作者2006-04-18Journal of the American Chemical Society

Nanoparticles are metastable relative to the equivalent bulk material due to the positive excess interfacial free energy (IFE). Previous studies have shown that, with increasing surface interaction strength, the IFE diminishes but remains positive. We describe an experimental multicomponent system in which a nanoscale…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

A Co‐Functionalization Approach to Soluble and Functional Single‐Walled Carbon Nanotubes

Matteo D’Este、Marco De Nardi、Enzo Menna2006-04-18European Journal of Organic Chemistry

Abstract A new class of single‐walled carbon nanotube (SWNT) derivatives have been synthesized by means of an oxidation route that leads to shortened nanotubes bearing carboxylic acid end groups. The simultaneous attachment of poly(ethylene glycol)amine (PEG–NH 2 ) and amine derivatives of aromatic fluorophores was ac…

Carbon Nanotubes in CompositesGraphene research and applicationsFullerene Chemistry and Applications

Surface-Enhanced Raman Scattering Investigation of the Adsorption of 2-Mercaptobenzoxazole on Smooth Copper Surfaces Doped with Silver Colloidal Nanoparticles

Barbara Pergolese、Maurizio Muniz‐Miranda、Adriano Bigotto2006-04-18The Journal of Physical Chemistry B

The adsorption of 2-mercaptobenzoxazole on copper has been investigated by means of surface-enhanced Raman scattering (SERS) by doping smooth copper surfaces with silver colloidal nanoparticles. The metal surfaces have been characterized by means of atomic force microscopy measurements. The compound adsorbs on the Cu/…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesMolecular Junctions and Nanostructures

The Hydantoin Transport Protein from Microbacterium liquefaciens

Shunichi Suzuki、Peter J. F. Henderson2006-04-18Journal of Bacteriology

The gene hyuP from Microbacterium liquefaciens AJ 3912 with an added His6 tag was cloned into the expression plasmid pTTQ18 in an Escherichia coli host strain. The transformed E. coli showed transport of radioisotope-labeled 5-substituted hydantoins with apparent K(m) values in the micromolar range. This activity exhi…

Bacterial Genetics and BiotechnologyEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Influence of Microwave Irradiation on the Lipase‐Catalyzed Ring‐Opening Polymerization of ε‐Caprolactone

Patrick Kerep、Helmut Ritter2006-04-18Macromolecular Rapid Communications

Abstract Summary: The microwave (MW)‐assisted lipase‐catalyzed ring‐opening polymerization of ε ‐caprolactone in boiling solvents was investigated for the first time. In case of boiling toluene or benzene the MW‐assisted reaction proceeded significantly slower compared to oil bath heating. On the other hand, using boi…

Catalytic Cross-Coupling Reactionsbiodegradable polymer synthesis and propertiesCarbon dioxide utilization in catalysis

Structural Analysis of Alanine Tripeptide with Antiparallel and Parallel β-Sheet Structures in Relation to the Analysis of Mixed β-Sheet Structures in Samia cynthia ricini Silk Protein Fiber Using Solid-State NMR Spectroscopy

Tetsuo Asakura、Michi Okonogi、Yasumoto Nakazawa 等 4 位作者2006-04-18Journal of the American Chemical Society

The structural analysis of natural protein fibers with mixed parallel and antiparallel beta-sheet structures by solid-state NMR is reported. To obtain NMR parameters that can characterize these beta-sheet structures, (13)C solid-state NMR experiments were performed on two alanine tripeptide samples: one with 100% para…

Antimicrobial Peptides and ActivitiesSilk-based biomaterials and applicationsBiochemical and Structural Characterization

Evolution of Nano‐ to Microsized Spherical Assemblies of a Short Oligo(p‐phenyleneethynylene) into Superstructured Organogels

Ayyappanpillai Ajayaghosh、Reji Varghese、Vakayil K. Praveen 等 4 位作者2006-04-18Angewandte Chemie

Teilchen aus Drähten: Eine feine Balance aus Wasserstoffbrücken-, π-Stapel- und Van-der-Waals-Wechselwirkungen ermöglicht in nichtpolaren Kohlenwasserstoffen die konzentrationsgesteuerte Selbstorganisation eines kurzen molekularen Drahtes zu Nanopartikeln und fluoreszierenden Mikrokügelchen. Oberhalb einer kritischen…

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Roles of the Active Site Water, Histidine 303, and Phenylalanine 396 in the Catalytic Mechanism of the Elongation Condensing Enzyme of Streptococcus pneumoniae

Yongmei Zhang、Jason C. Hurlbert、Stephen W. White 等 4 位作者2006-04-18Journal of Biological Chemistry

beta-Ketoacyl-ACP synthases catalyze the condensation steps in fatty acid and polyketide synthesis and are targets for the development of novel antibiotics and anti-obesity and anti-cancer agents. The roles of the active site residues in Streptococcus pneumoniae FabF (beta-ketoacyl-ACP synthase II; SpFabF) were invest…

Genomics and Phylogenetic StudiesEnzyme Structure and FunctionBiochemical and Molecular Research

Single Molecule Spectroscopy Studies of Diffusion in Mesoporous Silica Thin Films

Yi Fu、Fangmao Ye、William Sanders 等 5 位作者2006-04-18The Journal of Physical Chemistry B

Single molecule spectroscopy is applied in studies of diffusion and surface adsorption in sol-gel-derived mesoporous silica thin films. Mesoporous films are obtained by spin casting surfactant-templated sols onto glass substrates. Small-angle X-ray diffraction results are consistent with hexagonally ordered mesophases…

Photonic Crystals and ApplicationsMesoporous Materials and CatalysisPorphyrin and Phthalocyanine Chemistry