Antonio Donaire、Jesús Salgado、José‐María Moratal1998-05-22Biochemistry
The orientation and the axial, Deltachiax, and rhombic, Deltachirh, components of the magnetic susceptibility tensor anisotropy for the cobalt(II) and nickel(II) derivatives of azurin from Pseudomonas aeruginosa have been determined from 1H NMR data. For both derivatives, the axial geometry of the system determines th…
Enzyme Structure and FunctionProtein Structure and DynamicsMetal-Catalyzed Oxygenation Mechanisms
Kendall T. Thomson、Renata M. Wentzcovitch1998-05-22The Journal of Chemical Physics
We have conducted a first principles density functional theory (DFT) calculation to explore the electronic structure of sodalite at various stages of Al-substitution. By calculating the electronic structure of both substituted and unsubstituted frameworks, with and without the presence of extra-framework atoms, we sho…
Advanced Condensed Matter PhysicsZeolite Catalysis and SynthesisCrystal Structures and Properties
Ugo Cosentino、Giorgio Moro、Demetrio Pitea 等 7 位作者1998-05-22The Journal of Physical Chemistry A
The conformational properties of five gadolinium(III) complexes with polyamino carboxylate (PAC) ligands used as magnetic resonance imaging contrast agents have been investigated by ab initio and molecular mechanics (MM) methods. Ab initio calculations were performed using an effective core potential (ECP) that includ…
Lanthanide and Transition Metal ComplexesMagnetism in coordination complexesRadioactive element chemistry and processing
Marcus Dejmek、C. A. Ward1998-05-22The Journal of Chemical Physics
The concentration at the interface of a growing or dissolving crystal has been previously found experimentally to be different from the equilibrium value; however, a method for predicting this concentration has not been available. We report an investigation that uses statistical rate theory to obtain the expression fo…
Crystallization and Solubility StudiesCalcium Carbonate Crystallization and InhibitionMinerals Flotation and Separation Techniques
Jan C. M. van Hest、David A. Tirrell1998-05-22FEBS Letters
The methionine analogue 2-amino-5-hexenoic acid (homoallylglycine, Hag) can be utilized by Escherichia coli in the initiation and elongation steps of protein biosynthesis. Use of an E. coli methionine auxotroph and Hag-supplemented medium resulted in replacement of ca. 85% of the methionine residues in mouse dihydrofo…
Biochemical and Molecular ResearchEnzyme Structure and FunctionUbiquitin and proteasome pathways
Ruben Weht、W. E. Pickett1998-05-22arXiv
Comprised of ferromagnetic edge-sharing CuO$_2$ chains that order in antialigned fashion at T$_N$=9 K, Li$_2$CuO$_2$ is found from local spin density calculations to display several surprising characteristics: (1) the ordered moment/f.u. of 0.92 $μ_B$ is the largest for any low dimensional cuprate system, in agreement…
Materials Science
Igor Tsatskis1998-05-22arXiv
An explanation of the anomalous concentration dependence of diffuse scattering from the Pt-V alloy system (splitting of the (100) short-range order intensity peak with increasing Pt content) is proposed. The effect is attributed to the competition between the interaction and self-energy curvatures. A similar temperatu…
cond-mat.stat-mechMaterials Science
Pablo Fernández、Andrea Dal Corso、Alfonso Baldereschi1998-05-22arXiv
We present a first-principles calculation of the electronic properties of crystalline silicon and gallium arsenide in a uniform electric field. Polarized Wannier-like functions which are confined in a finite region are obtained by minimizing a total-energy functional which depends explicitly on the macroscopic polariz…
Materials Science
Charles Edwin Webster、Russell S. Drago、Michael C. Zerner1998-05-22OpenAlex
Pore volumes, accessible surface areas, and the thermodynamics of adsorption are essential in the understanding of solid surface characteristics fundamental to catalyst and adsorbent screening and selection. The recently developed Multiple Equilibrium Analysis (MEA) provides a thorough characterization of the adsorpti…
Surface Chemistry and CatalysisAdsorption and biosorption for pollutant removalMesoporous Materials and Catalysis
Robert D. Groot、Timothy J. Madden1998-05-22OpenAlex
The dissipative particle dynamics (DPD) simulation method has been used to study mesophase formation of linear (AmBn) diblock copolymer melts. The polymers are represented by relatively short strings of soft spheres, connected by harmonic springs. These melts spontaneously form a mesocopically ordered structure, depen…
Material Dynamics and PropertiesAdvanced Polymer Synthesis and CharacterizationBlock Copolymer Self-Assembly
Jie Liu、Andrew G. Rinzler、Hongjie Dai 等 15 位作者1998-05-22OpenAlex
Single-wall fullerene nanotubes were converted from nearly endless, highly tangled ropes into short, open-ended pipes that behave as individual macromolecules. Raw nanotube material was purified in large batches, and the ropes were cut into 100- to 300-nanometer lengths. The resulting pieces formed a stable colloidal…
Fullerene Chemistry and ApplicationsCarbon Nanotubes in CompositesNanotechnology research and applications
Jiaren Jiang、R.D. Arnell1998-05-21Journal of Physics D Applied Physics
The relationship between the fraction of material removed and the degree of penetration often observed in the literature during single-particle grooving tests on metals is examined in terms of low cycle fatigue. It is shown that the fraction of material removed is closely related to the low cycle fatigue behaviour of…
Surface Treatment and Residual StressErosion and Abrasive MachiningMetal Alloys Wear and Properties
E. Garcı́a-González、M. Parras、J.M. González-Calbet1998-05-21Chemistry of Materials
A new ordering scheme in cationic-deficient perovskite-like phases of the Ba n (Mo,Nb) n - δ O 3 n - x system has been described for the composition Ba 3 MoNbO 8.5, which has an oxygen stoichiometry between those of the 9R polytype and the palmierite structure. An electron diffraction and high-resolution electron micr…
Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsFerroelectric and Piezoelectric Materials
Marie‐Noëlle Collomb、Alain Deronzier、Alexis Piron 等 5 位作者1998-05-21Journal of the American Chemical Society
A new chemical and electrochemical synthesis of the linear tetranuclear manganese complex, [Mn 4 IV O 6 (bpy) 6 ] 4+ (bpy = 2,2‘-bipyridine) ( 4 ) is described. This complex can be synthesized by a two-electron oxidation of an aqueous solution of the mononuclear [Mn II (bpy) 3 ] 2+ ( 1 ) one. The aqueous solutions wer…
Porphyrin and Phthalocyanine ChemistryMagnetism in coordination complexesMetal-Catalyzed Oxygenation Mechanisms
Yoshihito Kunugi、Larry L. Miller、Kent R. Mann 等 4 位作者1998-05-21Chemistry of Materials
A sandwich composed from indium−tin oxide, an electrodeposited hole transport layer, a layer of a stacked platinum complex, and an aluminum electrode acted as a photodiode. Exposure of the sandwich to organic vapors changed the color of the platinum complex and changed the action spectrum of the photodiode.
Luminescence and Fluorescent MaterialsPhotochromic and Fluorescence ChemistryPorphyrin and Phthalocyanine Chemistry
T Giaddui、L.G. Earwaker、K.S. Forcey 等 5 位作者1998-05-21Journal of Physics D Applied Physics
Accelerator-based nuclear techniques were used to study the ageing of as-prepared and aluminium-capped porous silicon samples with a porosity of 55% and with two different morphologies (microporous and mesoporous). Aluminium surface capping layers with thicknesses in the range 0.1-0.5 m were applied by rf sputtering.…
Silicon Nanostructures and PhotoluminescenceNanowire Synthesis and ApplicationsSemiconductor materials and devices
Yannis Georgalis、Patrick Umbach、Dikeos Mario Soumpasis 等 4 位作者1998-05-21Journal of the American Chemical Society
The liquid−liquid coexistence region of aqueous lysozyme−NaCl solutions was examined by time-resolved small-angle static light scattering and light microscopy. At the initial stages of the reaction scattered intensities peaked at finite scattering vectors as expected for globular domains growing under the influence of…
Material Dynamics and Propertiesnanoparticles nucleation surface interactionsCrystallization and Solubility Studies
Wang Jiang、M. Voß、H. Busse 等 4 位作者1998-05-21The Journal of Physical Chemistry B
We report a facile, low-temperature reaction between condensed-phase NO 2 and H 2 O that leads ultimately to the formation of a large concentration (θ 0 = 0.42 monolayers) of adsorbed oxygen adatoms on a Au(111) surface. This reaction represents a novel route to generate surface oxygen on Au that can be utilized in fu…
Catalytic Processes in Materials ScienceAdvanced Chemical Physics StudiesGas Sensing Nanomaterials and Sensors
Yadong Li、Yi Ding、Yitai Qian 等 5 位作者1998-05-21Inorganic Chemistry
A solvothermal elemental reaction to nanocrystalline zinc selenide was proposed. The coordinating ability of the solvent was found to play an important role on the nucleation and growth of the nanocrystalline ZnSe.
Chalcogenide Semiconductor Thin FilmsLaser-Ablation Synthesis of NanoparticlesQuantum Dots Synthesis And Properties
Chris Brown、Jørgen Nielsen1998-05-21OpenAlex
Bringing together the leading European expertise in behaviour and design of silos, this important new book is an essential reference source for all concerned with current problems and developments in silo technology. Silos are used in an enormous range of industries and the handling characteristics of many industrial…
Recycling and Waste Management TechniquesGraphite, nuclear technology, radiation studies