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A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Manuel Pastor、Gabriele Cruciani、Kimberly A. Watson1997-12-01Journal of Medicinal Chemistry

Water present in a ligand binding site of a protein has been recognized to play a major role in ligand-protein interactions. To date, rational drug design techniques do not usually incorporate the effect of these water molecules into the design strategy. This work represents a new strategy for including water molecule…

Protein Structure and DynamicsCarbohydrate Chemistry and SynthesisEnzyme Structure and Function

Geometric phase analysis of high-resolution electron microscopy images of antiphase domains: Example Cu3Au

M. J. Hÿch、L. Potez1997-12-01Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties

A new method for analysing antiphase domains using high-resolution electron micrographs is described. A high-resolution electron microscope image taken at a zone axis is treated as the sum of many sets of interference fringes. The analysis extracts the information concerning the variations in the image periodicities a…

Microstructure and mechanical propertiesMicrostructure and Mechanical Properties of SteelsAluminum Alloy Microstructure Properties

Effect of Direct‐Current Biasing on the Dielectric Properties of Barium Strontium Titanate

Jih‐Wei Liou、Sien Chi1997-12-01Journal of the American Ceramic Society

Ba 1− x Sr x TiO 3 (BST, x = 0 to x = 1) ferroelectric ceramics doped with 1.0 mol% MgO and 0.05 mol% MnO 2 were prepared with a rate‐controlled sintering profile. As the strontium molar fraction x increased, the average grain size decreased from 14 μm for x = 0 to 2 μm for x = 1. Temperature dependence of the dielect…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

AUTOLYSIS KINETICS OF THE MARINE DIATOM DITYLUM BRIGHTWELLII (BACILLARIOPHYCEAE) UNDER NITROGEN AND PHOSPHORUS LIMITATION AND STARVATION1

Corina P. D. Brussaard、Anna A.M. Noordeloos、Roel Riegman1997-12-01Journal of Phycology

ABSTRACT Autolysis kinetics in axenic cultures of the diatom Ditylum brightwellii (West) Grunow were studied under nutrient limitation in continuous cultures and under nutrient starvation in batch‐mode cultures obtained by switching off nutrient supply in the continuous cultures. Under N limitation, the specific algal…

Marine and coastal ecosystemsAlgal biology and biofuel productionDiatoms and Algae Research

„Sergeants‐and‐Soldiers”‐Prinzip in chiralen, säulenförmigen Stapeln scheibenförmiger Moleküle mit C3‐Symmetrie

Anja R. A. Palmans、Jef A. J. M. Vekemans、E. E. Havinga 等 4 位作者1997-12-01Angewandte Chemie

Außerordentlich wirksame kooperative Effekte bei der Bildung chiraler Stapel von C 3 ‐symmetrischen Molekülen in Alkanen als Lösungsmitteln wurden beobachtet (Bild rechts). Das „Sergeants‐and‐Soldiers”︁‐Prinzip sowie auch chirale Solvatation führen zur Ausbildung eines bevorzugten helicalen Drehsinns in den Säulenaggr…

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

Mesomorphic Form (β) of Nylon 6

Finizia Auriemma、Vittorio Petraccone、Lidia Parravicini 等 4 位作者1997-12-01Macromolecules

The structure of poly (ε-caprolactam) (nylon 6) in the β mesomorphic form is here examined. The comparison of the diffraction intensity, calculated on modeled structures, with the experimental profiles, collected by us through an automatic diffractometer, is presented. This analysis has put into evidence the following…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Free radical polymerization within mesoporous zeolite channels

Shau Mien Ng、Shin‐ichi Ogino、Takuzo Aida 等 5 位作者1997-12-01Macromolecular Rapid Communications

Abstract Free radical polymerization of methyl methacrylate (MMA) within the uniform channels of the mesoporous zeolite MCM‐41 proceeds at 100°C to give a high molecular weight polymer (PMMA). The formation of long‐living propagating polymer‐radicals is observed by electron paramagnetic resonance (EPR). The molecular…

Zeolite Catalysis and SynthesisConducting polymers and applicationsMesoporous Materials and Catalysis

P-Element Insertion Alleles of Essential Genes on the Third Chromosome of Drosophila melanogaster: Mutations Affecting Embryonic PNS Development

Adi Salzberg、Sergei N. Prokopenko、Yuchun He 等 9 位作者1997-12-01Genetics

To identify novel genes and to isolate tagged mutations in known genes that are required for the development of the peripheral nervous system (PNS), we have screened a novel collection of 2460 strains carrying lethal or semilethal P element insertions on the third chromosome. Monoclonal antibody 22C10 was used as a ma…

Chromosomal and Genetic VariationsPlant Reproductive BiologySilk-based biomaterials and applications

Mechanically Attrited Silicon for High Refractive Index Nanocomposites

Fotios Papadimitrakopoulos、Peter Wisniecki、Dorab E. Bhagwagar1997-12-01Chemistry of Materials

High-energy milling provides an effective and environmentally conscious method for nanosizing silicon. Colloidal suspensions of nanosized silicon are presently demonstrated and utilized for the fabrication of high refractive index nanocomposites. Si nanoparticles with average sizes of 20−40 nm and size distributions o…

Nanoparticles: synthesis and applicationsSilicon Nanostructures and PhotoluminescenceNanowire Synthesis and Applications

Moisture effect on the low- and high-temperature dielectric relaxations in nylon-6

E. Laredo、María Hernández1997-12-01Journal of Polymer Science Part B Polymer Physics

The effect of water sorption on the dielectric relaxation processes of nylon-6 samples with water concentrations ranging from the dry to the water-saturated polymer has been studied by thermally stimulated depolarization currents experiments in a broad temperature range, from 77 to 365 K. The strengths of the low-temp…

Polymer Nanocomposites and PropertiesHigh voltage insulation and dielectric phenomenaDielectric materials and actuators

In Situ Investigation of Si-TPA-MFI Crystallization Using (Ultra-) Small- and Wide-Angle X-ray Scattering

Peter-Paul E. A. de Moor、Theo P. M. Beelen、Bernd U. Komanschek 等 5 位作者1997-12-01The Journal of Physical Chemistry B

The formation of precursors and the growth and aggregation of silicalite-1 crystals using tetrapropylammonium as a template (Si-TPA-MFI) has been studied in situ using X-ray scattering techniques. Simultaneous small-angle and wide-angle X-ray scattering (respectively SAXS and WAXS) experiments using synchrotron light…

Zeolite Catalysis and SynthesisClay minerals and soil interactionsIron oxide chemistry and applications

Influence of Structural Details in Modeling Electrostatically Driven Protein Adsorption

D. Asthagiri、Abraham M. Lenhoff1997-12-01Langmuir

Mechanistic modeling of protein adsorption has evolved to include increasingly detailed descriptions of protein structure in an effort to capture experimentally observed behavior. This has been especially true of electrostatically driven adsorption, for which colloidal models have been used frequently. These efforts h…

Polymer Surface Interaction StudiesProtein purification and stabilityMicrofluidic and Bio-sensing Technologies

Phase transformation of BeS and equation-of-state studies to 96 GPa

Chandrabhas Narayana、Victor Jaya Nesamony、A. L. Ruoff1997-12-01Physical review. B, Condensed matter

We report the existence of a reversible first-order phase transition of BeS from the zinc-blende structure, $B3,$ to the nickel-arsenide structure, $B8,$ at 51 GPa with a volume change of 11%. The NiAs phase remains stable up to at least 96 GPa. A second-order Birch equation describes the equation of state of the $B3$…

High-pressure geophysics and materialsRare-earth and actinide compoundsIron-based superconductors research

Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution

Mathias O. Senge、W.W. Kalisch1997-12-01Inorganic Chemistry

Different porphyrin conformations are believed to play a role in controlling the cofactor properties in natural tetrapyrrole-protein complexes. In order to study the correlation between macrocycle nonplanarity and physicochemical properties in detail, a series of six porphyrins with graded degrees of macrocycle distor…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPorphyrin Metabolism and Disorders

Aerobic Epoxidation of Olefins Catalyzed by Electronegative Vanadyl Salen Complexes

Christopher J. Chang、Jay A. Labinger、Harry B. Gray1997-12-01Inorganic Chemistry

Vanadyl salen complexes bearing electron-withdrawing substituents have been prepared and characterized. Systematic substitutions on the ancillary ligand have allowed V(5+)/V(4+) reduction potentials to be tuned over a range of approximately 500 mV. The complexes are catalysts for the aerobic epoxidation of cyclohexene…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsOxidative Organic Chemistry Reactions

Unusual Oxygen Storage/Redox Behavior of High-Surface-Area Ceria Prepared by a Surfactant-Assisted Route

Daniela Terribile、Alessandro Trovarelli、Carla de Leitenburg 等 5 位作者1997-12-01Chemistry of Materials

The interaction of hydrous cerium oxide with cationic surfactants under basic conditions is used for the first time in the preparation of CeO2 with enhanced textural and redox properties. The reduction of Ce4+ to Ce3+ is strongly augmented, especially in the low-temperature regime, resulting in a broadening of the win…

Catalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization StudiesCatalysis and Oxidation Reactions

The effect of low levels of plasticizer on the rheological and mechanical properties of polyvinyl chloride/newsprint‐fiber composites

Laurent M. Matuana、Chul B. Park、John J. Balatinecz1997-12-01Journal of Vinyl and Additive Technology

Abstract Plasticizers play a key role in the formulation of semirigid and flexible PVC and in determining their physical properties and processability. This study examines the effects of the low phr levels of plasticizer (DOP) on the rheological and mechanical properties of rigid and semi‐rigid PVC/newsprint‐fiber com…

Polymer crystallization and propertiesPolymer Foaming and CompositesPolymer Science and PVC

Structure and viscoelasticity of matched asymmetric diblock and triblock copolymers in the cylinder and sphere microstructures

Chang Y. Ryu、M. S. Lee、Damian A. Hajduk 等 4 位作者1997-12-01Journal of Polymer Science Part B Polymer Physics

A polystyrene–polyisoprene (PS–PI) diblock copolymer (10,000–50,000 g/mol) and a matched PS&ndashPI–PS triblock (10,000–100,000–10,000 g/mol) were employed to study the effect of chain architecture on the rheological response of ordered block copolymer melts. Both samples adopt hexagonal microstructures with PS cylind…

Polymer crystallization and propertiesRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Colossal Magnetoresistance in the Transition-Metal Zintl Compound Eu14MnSb11

Julia Y. Chan、Susan M. Kauzlarich、P. Klavins 等 5 位作者1997-12-01Chemistry of Materials

Magnetoresistance measurements have been carried out on single-crystal sample of the transition-metal Zintl compound Eu 14 MnSb 11 . Eu 14 MnSb 11 is the first compound of the Ca 14 AlSb 11 structure type in which magnetoresistive effects have been measured. Colossal magnetoresistance (CMR) at 92 K and 5 T with Δρ/ρ(0…

Magnetic and transport properties of perovskites and related materialsRare-earth and actinide compoundsAdvanced Condensed Matter Physics

Magnetic properties of the itinerant metamagnetic systemCo(S1−xSex)2under high magnetic fields and high pressure

T. Goto、Yutaka Shindo、H. Takahashi 等 4 位作者1997-12-01Physical review. B, Condensed matter

The magnetization of the $\mathrm{Co}({\mathrm{S}}_{1\ensuremath{-}x}{\mathrm{Se}}_{x}{)}_{2}$ system with $0<~x<~0.2$ has been measured under high magnetic fields and high pressure. Ferromagnetic ${\mathrm{CoS}}_{2}$ exhibits a second-order transition at ${T}_{c}=122\mathrm{K}.$ Substitution of 10% Se for S in…

Magnetism in coordination complexesCrystal Structures and PropertiesIron-based superconductors research