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Experimental and MD Simulations Study of CaO−ZrO2−SiO2 Glasses

Luisa Barbieri、Valeria Cannillo、Cristina Leonelli 等 6 位作者2003-06-17The Journal of Physical Chemistry B

Glasses belonging to the CaO−ZrO 2 −SiO 2 ternary system were prepared by melting raw materials at 1600 °C. Several properties of the glassy materials, such as density and thermal behavior, were experimentally determined, and the results were interpreted by comparison with the structural information derived from molec…

Luminescence Properties of Advanced MaterialsMaterial Dynamics and PropertiesGlass properties and applications

Rigorous coupled-wave analysis for multilayered grating structures

Wook Lee、Fahrettin Levent Degertekin2003-06-17Proceedings of SPIE, the International Society for Optical Engineering/Proceedings of SPIE

A numerically stable and systematic implementation of the rigorous coupled-wave analysis (RCWA) for the general multilayered grating structures is presented for both TE and TM modes. Numerical results of the approach are shown for the diffraction-based optical device as an example and are compared with the scalar diff…

Photonic and Optical DevicesPhotonic Crystals and ApplicationsOptical Coatings and Gratings

Synthesis of High Quality Single-Walled Carbon Nanotube Silks by the Arc Discharge Technique

Hongwei Zhu、Bin Jiang、Cailu Xu 等 4 位作者2003-06-17The Journal of Physical Chemistry B

We have modified the conventional arc discharge method for the synthesis of high quality single-walled carbon nanotube (SWNT) silks with high purity (over 70%) by using a hollow cathode that can collect SWNTs effectively. Characterizations of these SWNT materials by XRD, UV−vis−near-IR, Raman were taken. Finally a sim…

Carbon Nanotubes in CompositesGraphene research and applicationsNanowire Synthesis and Applications

Application of Classical Nucleation Theory To Characterize the Influence of Carboxylate-Containing Additives on CaCO3 Nucleation at High Temperature, pH, and Ionic Strength

Jihui Guo、Steven J. Severtson2003-06-17Industrial & Engineering Chemistry Research

Results are presented for a study on the influence of molecular and polymeric carboxylate-containing additives on the nucleation of CaCO 3 in solutions similar in ion composition and pH to those used in wood pulping operations. Investigated additives included aminocarboxylic acids, ethylenediaminetetraacetic acid and…

Surfactants and Colloidal SystemsCalcium Carbonate Crystallization and InhibitionMaterials Engineering and Processing

Intramolecular Electron Transfer Mediated by a Tetrathiafulvalene Bridge in a Purely Organic Mixed‐Valence System

Nicolas Gautier、F. Dumur、Vega Lloveras 等 7 位作者2003-06-17Angewandte Chemie

Leitend verbunden: Eine zentrale Tetrathiafulvalen(TTF)-Einheit vermittelt im abgebildeten Dichinon-Tetrathiafulvalen effektiv die elektronische Kopplung zwischen den Chinonfunktionen in der Peripherie. Es erfolgt schrittweise Einelektronenreduktion; die Potentialdifferenz zwischen den Reduktionsschritten zeigt, dass…

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchSolid-state spectroscopy and crystallography

A mechanism of covalent substrate binding in the x-ray structure of subunit K of the Escherichia coli dihydroxyacetone kinase

Christian Siebold、Luis F. García‐Alles、Bernhard Erni 等 4 位作者2003-06-17Proceedings of the National Academy of Sciences

Dihydroxyacetone (Dha) kinases are homologous proteins that use different phosphoryl donors, a multiphosphoryl protein of the phosphoenolpyruvate-dependent carbohydrate:phosphotransferase system in bacteria, ATP in animals, plants, and some bacteria. The Dha kinase of Escherichia coli consists of three subunits, DhaK…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Dihedral‐Angle Modulation of meso–meso‐Linked ZnII Diporphyrin through Diamine Coordination and Its Application to Reversible Switching of Excitation Energy Transfer

Hideyuki Shinmori、Tae Kyu Ahn、Hyun Sun Cho 等 6 位作者2003-06-17Angewandte Chemie International Edition

The dihedral angle between the two porphyrins in meso–meso-linked ZnII diporphyrin can be modulated effectively by adding 1,7-diaminoheptane, which coordinates at the both ZnII centers (see picture). This mechanical torsion gives rise to a decrease in the energy of the S1 state in the meso–meso-linked ZnII-diporphyrin…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPhotoreceptor and optogenetics research

Fabrication of Ordered Arrays of Gold Nanoparticles Coated with High‐Density Polymer Brushes

Kohji Ohno、Kyoungmoo Koh、Yoshinobu Tsujii 等 4 位作者2003-06-17Angewandte Chemie

Gold-Nanopartikel mit enger Größenverteilung wurden durch oberflächeninitiierte lebende Radikalpolymerisation mit wohldefinierten Polymerbürsten beschichtet. Die Goldteilchen bilden hochgeordnete zweidimensionale Strukturen (siehe Bild), und die Abstände zwischen den einzelnen Teilchen können gut kontrolliert werden.

Advanced Polymer Synthesis and CharacterizationPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Organic‐Based Layered Perovskites of Mixed‐Valent Gold( I )/Gold( III ) Iodides

Laura M. Castro‐Castro、Arnold M. Guloy2003-06-17Angewandte Chemie

Blattgold: In neuartigen gemischtvalenten AuI/AuIII-Perowskitstrukturen werden Schichten aus [AuI2]−- und [AuI4]−-Einheiten durch I3−-Ionen und geeignete organische Dikationen zu dreidimensionalen Architekturen verbunden. Die experimentell bestimmten optischen Bandlücken dieser organisch-anorganischen Hybridhalbleiter…

Crystal Structures and PropertiesOrganic and Molecular Conductors ResearchInorganic Chemistry and Materials

Vibrational Spectra and Second Harmonic Generation in Molecular Complexes of l-Lysine with l-Tartaric, d,l-Malic, Acetic, Arsenous, and Fumaric Acids

M.K. Marchewka、S. Debrus、H. Ratajczak2003-06-17Crystal Growth & Design

Powder Kurtz-Perry measurements were performed for the title crystals. The efficiencies of second harmonic generation were determined (0.34, 0.84, 0.80, 0.97 and 1.01) relative to potassium hydrogen phosphate. The l -lysine moiety was characterized by wavenumbers and relative intensities of the infrared and Raman band…

Crystallography and molecular interactionsNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography

Large-volume atmosphere-controlled high-temperature x-ray diffraction furnace

Scott T. Misture2003-06-17Measurement Science and Technology

A new fully automated powder diffraction furnace that operates from 20 to 1600°C under controlled atmosphere or vacuum is reported. The diffraction furnace provides a large heated volume and stable sample positioning, thus minimizing systematic errors in the powder diffraction patterns and temperature control. The the…

Advanced ceramic materials synthesisNuclear materials and radiation effectsX-ray Diffraction in Crystallography

PDEPT: Polymer-Directed Enzyme Prodrug Therapy. 2. HPMA Copolymer-β-lactamase and HPMA Copolymer-C-Dox as a Model Combination

Ronit Satchi‐Fainaro、Hanna Hailu、John W. Davies 等 5 位作者2003-06-17Bioconjugate Chemistry

Polymer-directed enzyme prodrug therapy (PDEPT) is a novel two-step antitumor approach that uses a combination of a polymeric prodrug and polymer-enzyme conjugate to generate a cytotoxic drug rapidly and selectively at the tumor site. Previously we have shown that N-(2-hydroxypropyl)methacrylamide (HPMA) copolymer-bou…

Nanoparticle-Based Drug DeliveryNanoplatforms for cancer theranosticsGraphene and Nanomaterials Applications

Static magnetic order inNa0.75CoO2detected by muon spin rotation and relaxation

Jun Sugiyama、Hiroshi Itahara、J. H. Brewer 等 7 位作者2003-06-17Physical review. B, Condensed matter

The nature of the magnetic transition of the Na-rich thermoelectric ${\mathrm{Na}}_{0.75}{\mathrm{CoO}}_{2}$ at 22 K was studied by positive muon-spin-rotation and relaxation $({\ensuremath{\mu}}^{+}\mathrm{SR})$ spectroscopy, using a polycrystalline sample in the temperature range between 300 and 2.5 K. Zero-field $\…

Physics of Superconductivity and MagnetismAdvanced Thermoelectric Materials and DevicesMagnetic and transport properties of perovskites and related materials

Enhanced chirality by adding achiral molecules into the chiral system

Ewa Górecka、Mojca Čepič、Józef Mieczkowski 等 6 位作者2003-06-17Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

It is generally accepted that the doping of chiral materials with achiral molecules diminishes the chirality of the system. Here we report the opposite phenomenon. It was found that the structural chirality of smectic phases made of rodlike molecules, Sm-C(*) or Sm-C(*)(A) phases, measured as the reverse length of the…

Liquid Crystal Research AdvancementsSynthesis and Properties of Aromatic CompoundsMolecular spectroscopy and chirality

Monolithic Nanostructured Silicate Family Templated by Lyotropic Liquid-Crystalline Nonionic Surfactant Mesophases

Sherif A. El‐Safty、T. Hanaoka2003-06-17Chemistry of Materials

A family of well-defined highly ordered mesoporous silica materials (designated as HOM) was synthesized by using a high concentration of nonionic amphiphile of Brij 56 surfactant (C 18 EO 10 ) as a structure-directing species. Monolithic nanostructures with regular arrays and extended periodicity were produced under a…

Catalytic Processes in Materials ScienceZeolite Catalysis and SynthesisMesoporous Materials and Catalysis

Tungsten Oxide Coatings from the Aerosol-Assisted Chemical Vapor Deposition of W(OAr)6 (Ar = C6H5, C6H4F-4, C6H3F2-3,4); Photocatalytically Active γ-WO3 Films

Warren B. Cross、Ivan P. Parkin、Shane A. O’Neill 等 6 位作者2003-06-17Chemistry of Materials

Tungsten hexaaryloxide complexes of formula W(OAr) 6 (Ar = C 6 H 5, 1; C 6 H 4 F-4, 2; C 6 H 3 F 2 -3,4, 3 ) have been synthesized by the reaction of W(O)Cl 4 and ArOH in 22 − 28% yield. The complexes were characterized by 1 H, 13 C, 19 F, and 183 W NMR ( 1, δ = −474.8; 2, δ = −416.3; 3, δ = −446.3), melting point ( 1…

Gas Sensing Nanomaterials and SensorsTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation

Mihai V. Putz、Nino Russo、Emilia Sicilia2003-06-17The Journal of Physical Chemistry A

Assuming the Mulliken electronegativity density functional theory (DFT) formulation as the primary structural information on atomic systems, we propose a new atomic radii quantitative definition and scale. The radii scale based on DFT first principles is further used to evaluate the atomic diamagnetic susceptibility,…

Advanced Chemical Physics StudiesInorganic and Organometallic ChemistryThermal and Kinetic Analysis

Cocrystallization Model for Synthetic Biodegradable Poly(butylene adipate-co-butylene terephthalate)

Emily D. Cranston、Jumpei Kawada、S. Raymond 等 5 位作者2003-06-17Biomacromolecules

Synthetic biodegradable poly(butylene adipate-co-butylene terephthalate), P(BA-co-BT), with 56 mol % butylene adipate, BA, was characterized by solid-state NMR spectroscopy, thermal analysis, X-ray diffraction, computer modeling, and polarization microscopy. The NMR study showed the presence of BA and butylene terepht…

Polymer crystallization and propertiesbiodegradable polymer synthesis and propertiesMicroplastics and Plastic Pollution

Unveiling New Magnetic Phases of Undoped and Doped Manganites

Takashi Hotta、Mohammad Moraghebi、Adrian Feiguin 等 6 位作者2003-06-17Physical Review Letters

Novel ground-state spin structures in undoped and lightly doped manganites are investigated based on the orbital-degenerate double-exchange model, via mean-field and numerical techniques. In undoped manganites, a new antiferromagnetic (AFM) state, called the E-type phase, is found adjacent in parameter space to the A-…

Magnetic and transport properties of perovskites and related materialsAdvanced Condensed Matter PhysicsElectronic and Structural Properties of Oxides

Intramolecular Electron Transfer Mediated by a Tetrathiafulvalene Bridge in a Purely Organic Mixed‐Valence System

Nicolas Gautier、Frédéric Dumur、Vega Lloveras 等 7 位作者2003-06-17Angewandte Chemie International Edition

Radical bridge design: The diquinone-tetrathiafulvalene (TTF) species shown exhibits effective electron coupling between the quinone centers which is mediated by the TTF bridge. Stepwise one-electron reduction of the molecule occurs, and the observed potential difference between reduction events is an indication that…

Perovskite Materials and ApplicationsPorphyrin and Phthalocyanine ChemistryOrganic and Molecular Conductors Research