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X-ray Structure of a Ribonuclease A–Uridine Vanadate Complex at 1.3 Å Resolution

Jane E. Ladner、Brian D. Wladkowski、L.A. Svensson 等 5 位作者1997-05-01Acta Crystallographica Section D Biological Crystallography

The X-ray crystal structure of a uridine vanadate-ribonuclease A complex has been determined at 1.3 A resolution. The resulting structure includes all 124 amino-acid residues, a uridine vanadate, 131 water molecules, and a single bound 2-methyl-2-propanol. Side chains of 11 surface residues showing discrete disorder w…

Protein Structure and DynamicsEnzyme Structure and FunctionMetal-Catalyzed Oxygenation Mechanisms

Li intercalation in transparent Ti–Ce oxide films: Energetics and ion dynamics

M. Stro mme Mattsson、A. Azens、Gunnar A. Niklasson 等 5 位作者1997-05-01Journal of Applied Physics

Films of Ti dioxide, mixed Ti–Ce oxide, and Ce dioxide were produced by reactive dc magnetron sputtering. Electrochemical lithiation was probed by chronopotentiometry, cyclic voltammetry together with optical transmittance recording, and impedance spectroscopy. Evidence was found for inserted electrons being accommoda…

Advancements in Battery MaterialsTransition Metal Oxide NanomaterialsElectrochemical Analysis and Applications

Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

Anik Peeters、Erna A. P. De Maeyer、Christian Van Alsenoy 等 4 位作者1997-05-01The Journal of Physical Chemistry B

Using ab initio methods, the position and the orientation of a CO 3 2- impurity in a hydroxyapatite lattice is studied. The CO 3 2- ion is oriented in a plane that makes an angle of 7° with the crystallographic c axis. The carbon atom and two oxygen atoms occupy positions close to the axis, whereas the third oxygen is…

Crystallography and molecular interactionsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Geometric Structure and Second-Order Nonlinear Optical Response of Substituted Calix[4]arene Molecules: A Theoretical Study

E. Brouyère、A. Persoons、Jean‐Luc Brédas1997-05-01The Journal of Physical Chemistry A

The geometries and second-order nonlinear optical properties of the four conformers of donor−acceptor-substituted calix[4]arene molecules are investigated by means of semiempirical quantum-chemical techniques. The evolution of the second-order polarizability β is analyzed with respect to changes in conformation and th…

Porphyrin and Phthalocyanine ChemistryNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer Studies

Synthesis and Antibacterial Activity of Water-soluble Chitin Derivatives

Chun‐Ho Kim、So Yeon Kim、Kyu‐Suk Choi1997-05-01Polymers for Advanced Technologies

Diethylaminoethyl–chitin (DEAE–chitin) was synthesized by introducing DEAE groups onto the C(6)–OH in chitin. DEAE–chitin was N-deacetylated by heating in aqueous 10% sodium hydroxide containing sodium borohydride to prepare the diethylaminoethyl–chitosan (DEAE–chitosan). In addition, DEAE–chitin was quaternized with…

Nanocomposite Films for Food PackagingStudies on Chitinases and ChitosanasesPineapple and bromelain studies

Magnetic orientation of Ni in Zn-Ni ferrites studied by soft-x-ray magnetic circular dichroism

W. F. Pong、Y. K. Chang、M. H. Su 等 8 位作者1997-05-01Physical review. B, Condensed matter

We report the Ni ${\mathrm{L}}_{2,3}$-edge magnetic circular dichroism (MCD) measurements of ferrimagnetic ${\mathrm{Zn}}_{\mathrm{x}}$${\mathrm{Ni}}_{1\mathrm{\ensuremath{-}}\mathrm{x}}$${\mathrm{Fe}}_{2}$${\mathrm{O}}_{4}$ (x=0.0, 0.26, 0.50, and 0.75). The Ni MCD asymmetry ratio was found to decrease with increasin…

Magnetic properties of thin filmsMagnetic Properties and Synthesis of FerritesIron oxide chemistry and applications

Study of the order-disorder phase transitions in Cu-Al-Be shape memory alloys

Mariàngels Jurado、Teresa Castán、Lluı́s Mañosa 等 7 位作者1997-05-01Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties

We have investigated the order-disorder phase transition in Cu-Al-Be alloys close to the eutectic composition. X-ray diffraction measurements have been performed to characterize the ordered structure and to follow the evolution of the degree of long-range order with temperature. Results show that the transition is fir…

Shape Memory Alloy TransformationsIntermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and Properties

Monte Carlo simulations of homogeneous upconversion in erbium-doped silica glasses

J. Philipsen、Anders Bjarklev1997-05-01IEEE Journal of Quantum Electronics

Quenching of Er/sup 3+/ ions by homogeneous energy-transfer upconversion in high-concentration erbium-doped silica glasses has been theoretically investigated, The results indicate that at Er/sup 3+/ concentrations of 1.0-2.0/spl middot/10/sup 26/ m/sup -3/ or below, the kinetic limit of strong migration is not reache…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhotorefractive and Nonlinear Optics

Reflective twisted nematic liquid crystal displays. I. Retardation compensation

Shu-Tuen Tang、Fanghang Yu、Jiahao Chen 等 6 位作者1997-05-01Journal of Applied Physics

Reflective twisted nematic displays where the output polarizer is eliminated are analyzed and demonstrated. The absence of the rear output polarizer has many advantages, including much higher brightness and higher resolution. In this article, we examine the solution space for the design of such reflective displays. Bo…

Liquid Crystal Research AdvancementsPhotonic Crystals and ApplicationsAdvanced Optical Imaging Technologies

Characterization of chitosan and rare‐earth‐metal‐ion doped chitosan films

Hao Jiang、Jim Liang、John T. Grant 等 7 位作者1997-05-01Macromolecular Chemistry and Physics

Abstract A systematic study has been made on the influence of doped rare‐earth metal ions (Er 3+ and Nd 3+ ) on the molecular interaction present in thin films fabricated from chitosan‐acetic acid solutions (chitosan/HAc). FT‐IR spectroscopy (including NIR, MIR and FIR) coupled with X‐ray photoelectron spectroscopy (X…

Conducting polymers and applicationsPolymer Surface Interaction StudiesAnalytical Chemistry and Sensors

Binding capacities for Thermomonospora fusca E3, E4 and E5, the E3 binding domain, and Trichoderma reesei CBHI on Avicel and bacterial microcrystalline cellulose

Michelle Bothwell、S.D. Daughhetee、G.Y. Chaua 等 5 位作者1997-05-01Bioresource Technology

Equilibrium binding of Thermomonospora fusca E3, E4 and E5, the E3 binding domain (CBDE3), and Trichoderma reesei CBHI on Avicel PH102 and bacterial microcrystalline cellulose (BMCC) was studied. The maximum adsorption levels, Eb,m, for all four cellulases and the binding domain were 9–30 times higher on BMCC than on…

Biofuel production and bioconversionAdvanced Cellulose Research StudiesCatalysis for Biomass Conversion

Enhanced Infrared Properties of Regioregular Poly(3-alkylthiophenes)

Pierrick Buvat、P. Hourquebie1997-05-01Macromolecules

Regiorandom and regioregular head to tail coupled poly(3-butylthiophenes), poly(3-octylthiophenes) and poly(3-dodecylthiophenes) have been synthesized by direct oxidation of 3- n -alkylthiophenes using FeCl 3 as oxidant and by regiospecific dehalogenation of 2-bromo-3- n -alkylthiophenes. NMR characterizations indicat…

Organic Electronics and PhotovoltaicsAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Variation in the sexual behaviour of natural clones ofAchnanthes longipes(Bacillariophyta)

Victor A. Chepurnov、David G. Mann1997-05-01European Journal of Phycology

Monoecious, bisexual and unisexual clones of Achnanthes longipes were isolated from the Black Sea and studied in laboratory culture. Clones differed in their growth characteristics : in monoecious clones the cells formed tufted aggregations while in other clones they were more dispersed. Bisexual and unisexual clones…

Marine and coastal ecosystemsMarine Biology and Ecology ResearchDiatoms and Algae Research

"Adjacent" Substituted Phthalocyanines

Kieran Nolan、Mougang Hu、C. C. LEZNOFF1997-05-01Synlett

All articles of this category 2,3,9,10-Tetrakis(3,3-dimethyl-1-butynyl)phthalocyanine and 2,3,9,10-tetramethoxyphthalocyanine were prepared by the condensation of a "half" phthalocyanine intermediate (prepared from 4,5-bis(3,3-dimethyl-1-butynyl)phthalonitrile or phthalonitrile) with phthalonitrile and 4,5-dimethoxyph…

Porphyrin and Phthalocyanine ChemistryOxidative Organic Chemistry ReactionsOrganic Chemistry Cycloaddition Reactions

Rheology of model confined ultrathin fluid films. I. Statistical mechanics of the surface force apparatus experiments

Philippe Bordarier、B. Rousseau、Alain H. Fuchs1997-05-01The Journal of Chemical Physics

We have studied the behavior of confined ultrathin films of a simple model system in which the fluid and wall particles were modeled as Lennard-Jones rare gas atoms by Monte Carlo simula-tions. We have used a new (Grand isoforce) statistical ensemble in these simulations, with which it is possible to simulate thin fil…

Phase Equilibria and ThermodynamicsMaterial Dynamics and PropertiesForce Microscopy Techniques and Applications

Runaway Hazard Assessment of Cumene Hydroperoxide From the Cumene Oxidation Process

Yih‐Shing Duh、Chen‐Shan Kao、C. Lee 等 4 位作者1997-05-01Process Safety and Environmental Protection

Cumene hydroperoxide (CHP) is normally produced by the cumene oxidation process. Severe fire and explosion incidents have occurred in oxidation and concentration processes due to the thermal instability of CHP. In this study, we used DSC and ARC thermal analysis techniques to measure the runaway thermokinetic data. Da…

Energetic Materials and CombustionRisk and Safety AnalysisThermal and Kinetic Analysis

K‐DOMINANCE CONDITION IN HYDROGEN ASSISTED CRACKING: THE ROLE OF THE FAR FIELD

J. Toribio、V. Kharin1997-05-01Fatigue & Fracture of Engineering Materials & Structures

Abstract— This paper analyses the validity of the fracture mechanics approach to hydrogen assisted cracking in metals on the basis of K ‐dominance over both the stress‐strain state and the accumulation of hydrogen in the fracture process zone. Stress‐strain assisted diffusion of hydrogen is considered as the rate cont…

Fatigue and fracture mechanicsHydrogen embrittlement and corrosion behaviors in metalsMaterial Properties and Failure Mechanisms

One-Dimensional Growth of Phenylene Oligomer Single Crystals on Friction-Transferred Poly(p-phenylene) Film

Kiyoshi Yase Han、Kaoru Yamamoto、Yūji Yoshida 等 5 位作者1997-05-01Japanese Journal of Applied Physics

One-dimensionally oriented thin crystals of a phenylene oligomer, p -sexiphenylene (6P), are grown on the poly( p -phenylene) (PPP) film prepared by the friction-transfer method. The 6P molecules tend to grow epitaxially on the (001) planes of alkali halides and the molecular axis is parallel to the <110> direct…

Organic Electronics and PhotovoltaicsAdvanced Sensor and Energy Harvesting MaterialsConducting polymers and applications

Effect of Grain Size and Test Configuration on the Wear Behavior of Alumina

Fei Xiong、Rafael R. Manory、Liam Ward 等 5 位作者1997-05-01Journal of the American Ceramic Society

The effects of grain size on the tribological behavior of alumina were investigated. Alumina specimens with three different grain sizes, namely 4, 8, and 14 m, were used as pins and disks in a flat‐pin wear test in which the apparent contact area was maintained constant during the test. In contradiction with previousl…

Advanced ceramic materials synthesisAluminum Alloys Composites PropertiesAdvanced materials and composites

Magnetisation Reversal Modes in Inhomogeneous Magnets

T. Leineweber、H. Kronm�ller1997-05-01physica status solidi (b)

The macroscopic magnetic properties of magnets strongly depend on the microscopic magnetisation processes and the microstructure of the magnets. Whereas ideally homogeneous magnetic materials exhibit a relatively simple and well understood magnetisation behaviour, more complex materials such as two phase composites or…

Magnetic properties of thin filmsMagnetic Properties and ApplicationsMagnetic Properties of Alloys