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First X-ray Cocrystal Structure of a Bacterial FabH Condensing Enzyme and a Small Molecule Inhibitor Achieved Using Rational Design and Homology Modeling

R. A. DAINES、Israil Pendrak、Kelvin Sham 等 12 位作者2002-12-02Journal of Medicinal Chemistry

The first cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor is reported. The inhibitor was obtained by rational modification of a high throughput screening lead with the aid of a S. pneumoniae FabH homology model. This homology model was used to design analogues that would have b…

Protein Structure and DynamicsEnzyme Structure and FunctionPorphyrin Metabolism and Disorders

Dinuclear CoII/GdIII and CoIII/GdIII Complexes Derived from Hexadentate Schiff Bases: Synthesis, Structure, and Magnetic Properties

Jean‐Pierre Costes、Françoise Dahan、Javier García‐Tojal2002-12-02Chemistry - A European Journal

Two heterodimetallic complexes of formulae [LCo(MeOH)Gd (NO3)3] (1) and [LCo(AcO)2Gd(NO3)2] (2) (H2L = 1,3-bis[(3-methoxysalicylidene)amino]-2,2'-dimethylpropane) have been synthesized and characterized. The structure of 1 consists of discrete dinuclear entities. The cobalt(II) ion exhibits a square-pyramidal geometry…

Metal complexes synthesis and propertiesMagnetism in coordination complexesLanthanide and Transition Metal Complexes

Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?

Miquel Torrent‐Sucarrat、Josep M. Luis、Miquel Duran 等 4 位作者2002-12-02The Journal of Chemical Physics

In a recent paper [J. Am. Chem. Soc. 123, 7951 (2001)] we have shown for the first time the existence of molecules with nontotally symmetric vibrational modes that break the maximum hardness (MHP) and minimum polarizability (MPP) principles. We present here an extension of this previous work by devising a mathematical…

Advanced Chemical Physics StudiesMolecular Junctions and NanostructuresNonlinear Optical Materials Research

Solvothermal Synthesis, Crystal Structure, Thermal Stability, and Mössbauer Spectroscopic Investigation of the Mixed-Valent Thioantimonate(III,V) [Ni(dien)2]2Sb4S9

R. Stähler、B. D. Mosel、Hellmut Eckert 等 4 位作者2002-12-02Angewandte Chemie International Edition

Antimony in two oxidation states: The mixed-valent thioantimonate anion [Sb4S9]4− in the compound [Ni(dien)2]2Sb4S9 contains SbVS4 tetrahedra, which are bound by one terminal S atom to the Sb3S7 backbone of the anion (see figure). dien=diethylenetriamine.

Crystal Structures and PropertiesOrganometallic Compounds Synthesis and CharacterizationMineralogy and Gemology Studies

High-efficiency SiO2:Ce3+ glass scintillators

N. Chiodini、Mauro Fasoli、M. Martini 等 10 位作者2002-12-02Applied Physics Letters

We present the effect of a rapid thermal treatment (RTT) at high temperature (1800 °C) on the radio-luminescence properties of Ce-doped SiO2 glasses prepared by the sol–gel method and previously densified at 1050 °C. Cerium concentrations ranging from 0.05 up to 1 mol % were considered. We found that, for all concentr…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsRadiation Detection and Scintillator Technologies

Synthesis, Characterization, and Modification of Hyperbranched Poly(arylene oxindoles) with a Degree of Branching of 100 %

Mario Smet、Etienne Schacht、Wim Dehaen2002-12-02Angewandte Chemie International Edition

Excellent thermal stability and a relatively high glass-transition temperature are exhibited by the hyperbranched poly(arylene oxindoles), which were prepared by an acid-catalyzed polycondensation of the substituted isatine 1. The polymers thus obtained can also be readily functionalized further.

Synthetic Organic Chemistry MethodsDendrimers and Hyperbranched PolymersSynthesis and properties of polymers

Charge Distribution and Stability of Charged Carbon Nanotubes

Pawel Keblinski、Saroj K. Nayak、Peter Zapol 等 4 位作者2002-12-02Physical Review Letters

Density-functional calculations of charge distribution on negatively and positively charged nanotubes result in charge density profiles characterized by a significant increase of charge density at the tube ends. These results are in quantitative agreement with classical electrostatic analysis, which assumes constant e…

Carbon Nanotubes in CompositesForce Microscopy Techniques and ApplicationsNanopore and Nanochannel Transport Studies

Crystal structure of κ-In2Se3

Jacek B. Jasiński、W. Swider、J. Washburn 等 8 位作者2002-12-02Applied Physics Letters

Structural properties of single-phase films of κ-In2Se3 and γ-In2Se3 were investigated. Both films were polycrystalline but their microstructures differed considerably. The a-lattice parameter of κ-In2Se3 has been measured. A comparison between these two materials indicates that κ-In2Se3 has a significantly larger uni…

Chalcogenide Semiconductor Thin FilmsCrystal Structures and PropertiesX-ray Diffraction in Crystallography

A Direct Link between Annulene and Porphyrin Chemistry—21-Vacataporphyrin

Ewa Pacholska、Lechosław Latos‐Grażyński、Z. Ciunik2002-12-02Chemistry - A European Journal

A novel molecule, aza-deficient porphyrin 5,10,15,20-tetraaryl-21-vacataporphyrin has been synthesised by a substraction of a tellurium atom from 5,10,15,20-tetraaryl-21-telluraporphyrin under treatment of HCl. The new macrocycle is an annulene-porphyrin hybrid and at the same time is directly related to 21-heteroporp…

Porphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesPorphyrin Metabolism and Disorders

Adaptation of the Rothemund Reaction for Carbaporphyrin Synthesis: Preparation of meso-Tetraphenylazuliporphyrin and Related Benzocarbaporphyrins

Denise A. Colby、Timothy D. Lash2002-12-02Chemistry - A European Journal

Electrophilic substitution of azulene has recently been shown to provide the means by which carbon-carbon bonds can be generated to form novel macrocyclic systems such as calixazulenes. These studies inspired us to develop a "one-pot" Rothemund-type synthesis of meso-tetraphenylazuliporphyrin. Azuliporphyrins, a group…

Porphyrin and Phthalocyanine ChemistrySurface Chemistry and CatalysisPorphyrin Metabolism and Disorders

Anhysteretic field-induced rhombhohedral to orthorhombic transformation in 〈110〉-oriented 0.7Pb(Mg1/3Nb2/3)O3–0.3PbTiO3 crystals

D. Viehland、J. F. Li2002-12-02Journal of Applied Physics

The electric-field induced polarization (P–E) and strain (ε–E) characteristics of 〈110〉c-oriented 0.7Pb(Mg1/3Nb2/3)O3–0.3PbTiO3 crystals have been investigated, under both unipolar and bipolar drive. A field-induced transformation was observed below saturation. Under unipolar drive, the P–E and ε–E loops were anhyster…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsAcoustic Wave Resonator Technologies

Morphological Control of Helical Solid Bilayers in High-Axial-Ratio Nanostructures Through Binary Self-Assembly

George John、Jong Hwa Jung、Hiroyuki Minamikawa 等 5 位作者2002-12-02Chemistry - A European Journal

Mixed molecular species of cardanyl glucoside derived from renewable resources provide nanotubes upon self-assembly in water, while the saturated homologue generated a twisted fibrous morphology. The cardanyl glucoside mixture was fractionated into four individual components in order to study their contribution to the…

Supramolecular Self-Assembly in MaterialsOrigins and Evolution of LifePolydiacetylene-based materials and applications

Fabrication of nanoporous gold nanowires

Chunxin Ji、Peter C. Searson2002-12-02Applied Physics Letters

We report a method for the fabrication of nanoporous nanowires with high surface area and well-defined pore morphology. The nanoporous nanowires are formed in a two-step process involving electrochemical deposition of a single-phase, two-component AxB1−x alloy into a nanoporous template, and subsequent chemical etchin…

Electrocatalysts for Energy ConversionAnodic Oxide Films and NanostructuresNanoporous metals and alloys

Power Propagation in Homogeneous Isotropic Frequency-Dispersive Left-Handed Media

Joe Pacheco、Tomasz M. Grzegorczyk、Bae‐Ian Wu 等 5 位作者2002-12-02Physical Review Letters

We study transmission at a boundary between a right-handed medium (RHM: epsilon>0, mu>0) and a frequency dispersive left-handed medium [LHM: epsilon(omega)<0, mu(omega)<0 for some omega], both homogeneous and isotropic. In order to account for the dispersion, two types of signal spectra are considered. The first consi…

Metamaterials and Metasurfaces ApplicationsTerahertz technology and applicationsMillimeter-Wave Propagation and Modeling

Inorganic Nanotubes and Fullerene-Like Materials

Reshef Tenne2002-12-02Chemistry - A European Journal

Following the discovery of fullerenes and carbon nanotubes, it was shown that nanoparticles of inorganic layered compounds, like MoS2, are unstable in the planar form and they form closed cage structures with polyhedral or nanotubular shapes. Various issues on the structure, synthesis, and properties of such inorganic…

2D Materials and ApplicationsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials Research

Tbit/inch 2 ferroelectric data storage based on scanning nonlinear dielectric microscopy

Yasuo Cho、Kenjiro Fujimoto、Yoshiomi Hiranaga 等 7 位作者2002-12-02Applied Physics Letters

Nanosized inverted domain dots in ferroelectric materials have potential applications in ultrahigh-density rewritable data storage systems. Here, a data storage system based on scanning nonlinear dielectric microscopy and thin films of ferroelectric single-crystal lithium tantalite is presented. Through domain enginee…

Ferroelectric and Piezoelectric MaterialsPhotorefractive and Nonlinear OpticsAcoustic Wave Resonator Technologies

Transport properties of annealed CdSe colloidal nanocrystal solids

M. Drndić、M. V. Jarosz、N. Y. Morgan 等 5 位作者2002-12-02Journal of Applied Physics

Transport properties of artificial solids composed of colloidal CdSe nanocrystals (NCs) are studied from 6 to 250 K, before and after annealing. After the solids are annealed, three changes are observed. First, transmission electron micrographs show that the separation between NCs decreases with annealing. Second, the…

Quantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin FilmsChemical and Physical Properties of Materials

Structure, Photophysics and the Order-Disorder Transition to the Beta Phase in Poly(9,9-(di -n,n-octyl)fluorene)

M. J. Winokur、J. Slinker、D. L. Huber2002-12-02arXiv

X-ray diffraction, UV-vis absorption and photoluminescence (PL) spectroscopy have been used to study the well-known order-disorder transition (ODT) to the beta phase in poly(9,9-(di n,n-octyl)fluorene)) (PF8) thin film samples through combination of time-dependent and temperature-dependent measurements. The ODT is wel…

Materials Science

Hollow Polymer Shells from Biological Templates: Fabrication and Potential Applications

Edwin Donath、Sergio Moya、Björn Neu 等 9 位作者2002-12-02Chemistry - A European Journal

Three-dimensional ultrathin polymer shells have been produced by a combination of step-by-step adsorption of polyelectrolytes on glutaraldehyde-treated human erythrocytes and subsequent solubilization of the cytoplasmatic constituents by means of a deproteinizing agent. The obtained hollow films preserve both the size…

Microfluidic and Capillary Electrophoresis Applicationsbiodegradable polymer synthesis and propertiesPolymer Surface Interaction Studies