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Phonons in the beta-tin, Imma, and sh phases of Silicon from ab initio calculations

Katalin Gaal-Nagy、Dieter Strauch2005-02-09arXiv

We present a new interpretation of measured Raman frequencies of a high-pressure structure of Silicon which was assigned previously to the beta-tin phase. Our results show that the beta-tin->Imma->sh phase transitions have been already indicated in this experiment which was performed before the discovery of the Imma p…

Materials Science

HfO$_2$: a new direction for intrinsic defect driven ferromagnetism

Chaitanya Das Pemmaraju、S. Sanvito2005-02-09arXiv

In view of the recent experimental reports of unexpected ferromagnetism in HfO$_{2}$ thin films, we carried out first principles investigations looking for magnetic order possibly brought about by the presence of small concentrations of intrinsic point defects. {\it Ab initio} electronic structure calculations using d…

Materials ScienceStrongly Correlated Electrons

Evidence for a smooth superconductor to normal state transition for nonzero applied magnetic field in RbOs2O6

T. Schneider、R. Khasanov、J. Karpinski 等 5 位作者2005-02-09arXiv

The effect of the magnetic field on the critical behavior of RbOs2O6 is investigated. We present and analyze magnetization data, revealing remarkable consistency with a magnetic field induced finye size effect. It is traced back that at temperatures Tp(H) smaller than Tc the correlation length cannot grow beyond the l…

Materials ScienceSuperconductivity

Efficient Electroluminescence from New Lanthanide (Eu3+, Sm3+) Complexes

Jiangbo Yu、Liang Zhou、Hongjie Zhang 等 8 位作者2005-02-09Inorganic Chemistry

The syntheses, structures, and electroluminescent properties are described for two new lanthanide complexes Ln(HFNH)3phen [HFNH = 4,4,5,5,6,6,6-heptafluoro-1-(2-naphthyl)hexane-1,3-dione; phen = 1,10-phenanthroline; Ln = Eu3+ (1), Sm3+ (2)]. Both complexes exhibit bright photoluminescence at room temperature (RT) due…

Organic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsLanthanide and Transition Metal Complexes

Biological Evaluation of Polyester Dendrimer: Poly(ethylene oxide) “Bow-Tie” Hybrids with Tunable Molecular Weight and Architecture

Elizabeth R. Gillies、Edward E. Dy、Jean M. J. Fréchet 等 4 位作者2005-02-09Molecular Pharmaceutics

High molecular weight (MW) polymers have shown promise in terms of improving the properties and the efficacy of low MW therapeutics. However, new systems that are highly biocompatible, are biodegradable, have well-defined MW, and have multiple functional groups for drug attachment are still needed. The biological eval…

RNA Interference and Gene DeliveryPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Polyelectrolyte-Coated Gold Nanorods: Synthesis, Characterization and Immobilization

Anand Gole、Catherine J. Murphy2005-02-09OpenAlex

The versatile layer-by-layer (LbL) approach has been used for the synthesis of polyelectrolyte-coated gold nanorods. The simple process first involves the synthesis of gold nanorods by our previously published three-step seed-mediated protocol. The presence of a bilayer of the surfactant cetyltrimethylammonium bromide…

Nanoparticle-Based Drug DeliveryGold and Silver Nanoparticles Synthesis and ApplicationsPolymer Surface Interaction Studies

Directed Assembly of Metal−Cyanide Cluster Magnets

L.M.C. Beltran、Jeffrey R. Long2005-02-09OpenAlex

The simple, well-understood coordination chemistry of the cyanide ligand is of significant utility in the design of new single-molecule magnets. Its preference for bridging two transition metals in a linear M'-CN-M geometry permits the use of multidentate blocking ligands in directing the assembly of specific molecula…

Magnetism in coordination complexesAdvanced NMR Techniques and ApplicationsInorganic Chemistry and Materials

Synthesis of Monodisperse Silica Particles Coated with Well-Defined, High-Density Polymer Brushes by Surface-Initiated Atom Transfer Radical Polymerization

Kohji Ohno、Takashi Morinaga、Kyoungmoo Koh 等 5 位作者2005-02-09OpenAlex

Monodisperse silica particles (SiPs) of diameter between 100 and 1500 nm were surface-modified in a mixture of ethanol/water/ammonia with a newly designed triethoxysilane having an atom transfer radical polymerization (ATRP) initiating site, (2-bromo-2-methyl)propionyloxyhexyltriethoxysilane. The surface-initiated ATR…

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesRadioactive element chemistry and processing

Crystallization in the Thin and Ultrathin Films of Poly(ethylene-vinyl acetate) and Linear Low-Density Polyethylene

Sirui Ge、M. H. Rafailovich、Konstantin Sokolov 等 8 位作者2005-02-08Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionCrystallization in the Thin and Ultrathin Films of Poly(ethylene-vinyl acetate) and Linear Low-Density PolyethyleneS. Ge, M. Rafailovich*, J. Sokolov, Y. Zou, H. Ade, J. Lüning, A. Lustiger, and G. MaromCite this: Macromolecules 2005, 38, 5, 2022Publication Date (Web…

Polymer crystallization and propertiesMachine Learning in Materials ScienceElectron and X-Ray Spectroscopy Techniques

Formation and Development of Phase Morphology and Structure on Polystyrene Blends. II. Study of Phase Behavior and Structure Character of PS/PS‐g‐MAH/LEPB/PcBR Semimiscible System During Melt Blending by Scanning Electron Microscopy

Ya Wang、Zhi‐Jiang Cai、Jing Sheng2005-02-08Journal of Macromolecular Science Part B

In this paper, polystyrene (PS)/poly(cis‐butadiene) rubber (PcBR) blends were prepared by melt blending. Polystyrene‐graft‐maleic anhydride (PS‐g‐MAH) and linear epoxy polybutadiene (LEPB) were added to the blends to increase the compatibility. The blends were shown to be semimiscible by small‐angle X‐ray scattering (…

Polymer crystallization and propertiesMaterial Dynamics and PropertiesRheology and Fluid Dynamics Studies

Phase Behavior of Blends of Poly(ϵ‐Caprolactone) and a Modified Montmorillonite‐Poly(ϵ‐Caprolactone) Nanocomposite

Rachele Pucciariello、Vincenzo Villani、Giuliana Gorrasi 等 4 位作者2005-02-08Journal of Macromolecular Science Part B

Blends between high‐molecular weight poly(ϵ‐caprolactone) (PCL) and an intercalated nanocomposite of poly(ϵ‐caprolactone)‐organophilic montmorillonite (OMONT), containing 30% by weight of the nanofiller (NPCL30) have been investigated. Such blends have been shown to have much improved mechanical properties with respec…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Atomistic simulation on phase stability and site preference ofR2(Co, Mn)17(R= Nd, Sm, Gd)

Jiang Shen、Ping Qian、Nan‐Xian Chen2005-02-08Modelling and Simulation in Materials Science and Engineering

Based on the inverted quasi- ab initio pair potentials, the phase stability and site preference of R 2 Co 17− x Mn x ( R = Nd, Sm, Gd) intermetallics with a rhombohedral Th 2 Zn 17 -type structure are studied. In the calculations, the crystal binding energy of R 2 Co 17− x Mn x decreases with increasing Mn concentrati…

Rare-earth and actinide compoundsMagnetic Properties of AlloysMetallurgical and Alloy Processes

Gallium oxide and dioxide: Investigation of the ground and low-lying electronic states via anion photoelectron spectroscopy

Giovanni Meloni、Sean M. Sheehan、Daniel M. Neumark2005-02-08The Journal of Chemical Physics

The GaO and GaO2 molecules were investigated using negative ion photoelectron spectroscopy. All the photoelectron spectra showed vibrationally resolved progressions. With the aid of electronic structure calculations and Franck-Condon spectral simulations, different molecular parameters and energetics of GaO-/GaO and G…

GaN-based semiconductor devices and materialsSemiconductor materials and devicesGa2O3 and related materials

Fluorescence Properties of Glutamine-Binding Protein from Escherichia coli and Its Complex with Glutamine

Irina М. Kuznetsova、Olga V. Stepanenko、Konstantin К. Turoverov 等 7 位作者2005-02-08Journal of Proteome Research

In this work, the fluorescence of glutamine-binding protein (GlnBP) and its complex with glutamine (GlnBP/Gln) in native and unfolded forms was studied. The experimental data were interpreted on the basis of the results of the analysis of Trp and Tyr microenvironments taking into the account the data for GlnBP mutated…

Protein Structure and DynamicsEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

Substrate and product specificities of cis-type undecaprenyl pyrophosphate synthase

Annie P.‐C. Chen、Sing-Yang Chang、Yu-Chung Lin 等 7 位作者2005-02-08Biochemical Journal

UPPS (undecaprenyl pyrophosphate synthase) catalyses consecutive condensation reactions of FPP (farnesyl pyrophosphate) with eight isopentenyl pyrophosphates to generate C55 UPP, which serves as a lipid carrier for bacterial peptidoglycan biosynthesis. We reported the co-crystal structure of Escherichia coli UPPS in c…

Enzyme Structure and FunctionMetal-Catalyzed Oxygenation MechanismsBiochemical and Molecular Research

Quantitative dependence of crystallinity on degree of branching for hyperbranched poly[3-ethyl-3-(hydroxymethyl)oxetane]

Yiyong Mai、Yongfeng Zhou、Deyue Yan 等 4 位作者2005-02-08New Journal of Physics

A series of hyperbranched poly[3-ethyl-3-(hydroxymethyl)oxetane] samples with various degrees of branching (DB) were adopted to investigate the relationship between crystallinity and DB. The relative degree of crystallization (DC) and DB were determined by x-ray diffraction (XRD) and 13 C nuclear magnetic resonance (…

Advanced Polymer Synthesis and CharacterizationDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

Nonisothermal Crystallization Kinetics of Polypropylene/Attapulgite Nanocomposites

Lihua Wang、Jing Sheng2005-02-08Journal of Macromolecular Science Part B

This paper studies the nonisothermal crystallization kinetics of polypropylene (PP) and polypropylene/organic‐attapulgite (PP/org‐ATP) nanocomposites by differential scanning calorimetry (DSC) at various cooling rates. Several different analysis methods were used to describe the process of nonisothermal crystallizatio…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Unusual Monodentate Binding Mode of 2,2‘-Dipyridylamine (L) in Isomeric trans-(acac)2RuII(L)2, trans-[(acac)2RuIII(L)2]ClO4, and cis-(acac)2RuII(L)2 (acac = Acetylacetonate). Synthesis, Structures, and Spectroscopic, Electrochemical, and Magnetic Aspects

Sanjib Kar、Nripen Chanda、Shaikh M. Mobin 等 8 位作者2005-02-08Inorganic Chemistry

The reaction of cis-Ru(acac)2(CH3CN)2 (acac = acetylacetonate) with 2,2'-dipyridylamine (L) in ethanolic medium resulted in facile one-pot synthesis of stable [(acac)2RuIII(L)]ClO4 ([1]ClO4), trans-[(acac)2RuII(L)2] (2), trans-[(acac)2RuIII)L)2]ClO4 ([2]ClO4), and cis-[(acac)2RuII(L)2] (3). The bivalent congener 1 was…

Metal complexes synthesis and propertiesMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms

Preparation of Low-Density Macrocellular Tin Dioxide Foam with Variable Window Size

Qincui Gu、Keiji Nagai、T. Norimatsu 等 8 位作者2005-02-08Chemistry of Materials

Low-density porous tin dioxide (∼0.5 g/cm 3 ) was prepared from a SnCl 4 /ethanol/H 2 O mixture and polystyrene (PS) template. Such a low density made the as-synthesized tin dioxide act as a promising target material for laser-induced extreme ultraviolet (EUV) emission. The resulting structure of the as-synthesized ti…

Catalytic Processes in Materials ScienceTransition Metal Oxide NanomaterialsAerogels and thermal insulation

Molecular Containers Based on Amphiphilic PS-b-PMVE Dendrigraft Copolymers: Topology, Organization, and Aqueous Solution Properties

Michel Schappacher、Jean‐Luc Putaux、Christelle Lefebvre 等 4 位作者2005-02-08Journal of the American Chemical Society

The synthesis, characteristics, and properties of amphipatic, water-soluble dendrigrafts, with a polystyrene core and polystyrene-b-poly(methyl vinyl ether) (PS-b-PMVE) diblock as external branches, are described. The dendrigrafts are observed by AFM and TEM as egglike or long cylindrical objects which can self-organi…

Advanced Polymer Synthesis and CharacterizationPorphyrin and Phthalocyanine ChemistryDendrimers and Hyperbranched Polymers