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Conjugate-direction minimization: an improved method for the refinement of macromolecules

Dale E. Tronrud1992-11-01Acta Crystallographica Section A Foundations of Crystallography

A novel method of function minimization that combines the power of the diagonal approximation to the normal matrix with conjugate directions is described. This method approaches closer to the local minimum than the methods that are commonly used in macromolecular refinement. The weakness of the current methods are ana…

Genomics and Chromatin DynamicsGene expression and cancer classificationEnzyme Structure and Function

Critical behavior and crossover scaling in symmetric polymer mixtures: a Monte Carlo investigation

H. Deutsch、Kurt Binder1992-11-01Macromolecules

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTCritical behavior and crossover scaling in symmetric polymer mixtures: a Monte Carlo investigationH. P. Deutsch and K. BinderCite this: Macromolecules 1992, 25, 23, 6214–6230Publication Date (Print):November 1, 1992Publication History Published online1 May 2002Published inis…

Material Dynamics and Properties

The Transition from Molecular Units to Collective Structures in Complex Transition Metal Chalcogenides, Characterized by Magnetochemical Experiments Progress Report

W. Bronger1992-11-01Berichte der Bunsengesellschaft für physikalische Chemie

Abstract Depending on the stoichiometry the alkali metal‐transition metal‐chalogenides crystallize analogous to the silicates in structures with isolated groups, chains or layers. The formation of the framework structures is realized by linkage of anionic transition metal‐chalcogenide complexes. – The magnetic propert…

Magnetic and transport properties of perovskites and related materialsCrystal Structures and PropertiesAdvanced Condensed Matter Physics

DETERMINATION OF PROGRAM PROTECTION FACTORS FOR HALF-MASK RESPIRATORS USED AT A MINERAL SANDS SEPARATION PLANT

G. S. Hewson、Martin I Ralph1992-11-01American Industrial Hygiene Association Journal

A study was conducted at a mineral sands separation plant to evaluate the workplace performance of half-mask filter cartridge respirators. Inhalation exposure was estimated by measuring the dust and radioactivity concentration inside the respirator while it was worn or hanging around the worker's neck. The program pro…

Risk and Safety AnalysisGraphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Figures‐of‐merit, their philosophy, design and use

Ron Jenkins、John Gilfrich1992-11-01X-Ray Spectrometry

Abstract Figures‐of‐merit (FOMs) is a term which is used to define the quantitative measure of performance based on parameters which can be determined by the experimentalist. The FOM may be intuitive , based on previous experience of the analyst or his personal assessment of the importance of certain parameters, or de…

High-pressure geophysics and materialsMachine Learning in Materials ScienceX-ray Diffraction in Crystallography

Raman studies of crystalline and amorphous poly(p‐phenylene sulfide) films

Zhejun Pan、T. Savard、James P. Wicksted1992-11-01Journal of Raman Spectroscopy

Abstract Raman spectra of biaxial crystalline and amorphous poly( p ‐phenylene sulfide) (PPS) films were recorded using the micro‐Raman technique. The Raman spectra of its corresponding trimer and tetramer from KBr pellets and the infrared spectrum from the PPS film were also recorded in order to elucidate the normal…

Advanced Fiber Optic SensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

Mechanisms of cage reactions: kinetics of combination and diffusion after picosecond photolysis of iron(II) porphyrin ligated systems

Teddy G. Traylor、Douglas Magde、Jikun Luo 等 7 位作者1992-11-01Journal of the American Chemical Society

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMechanisms of cage reactions: kinetics of combination and diffusion after picosecond photolysis of iron(II) porphyrin ligated systemsTeddy G. Traylor, Douglas Magde, Jikun Luo, Kevin N. Walda, Debkumar Bandyopadhyay, Guo Zhang Wu, and Vijay S. SharmaCite this: J. Am. Chem. S…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical Studies

The Dispersion of Carbon Black in Rubber Part III. The Effect of Dispersion Quality on the Dynamic Mechanical Properties of Filled Natural Rubber

A. Y. Coran、J. B. Donnet1992-11-01Rubber Chemistry and Technology

Abstract The Part I of this series described a rapid method for determining the quality of carbon-black dispersion. The second paper (Part II) was concerned with the kinetics of the dispersion of carbon black into natural rubber (dispersion quality as a function of mixing time) in an internal mixer. In this paper we c…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Unusual amino acid substitution in the anion‐binding site of Lactobacillus plantarum non‐allosteric L‐lactate dehydrogenase

Hayao Taguchi、Takahisa Ohta1992-11-01European Journal of Biochemistry

In Lactobacillus plantarum non-allosteric L-lactate dehydrogenase (L-LDH), the highly conserved His188 residue, which is involved in the binding of an allosteric effector, fructose 1,6-bisphosphate [Fru(1,6)P2], in allosteric L-LDH is uniquely substituted by an Asp. The mutant L. plantarum L-LDH, in which Asp188 is re…

Enzyme Structure and FunctionAmino Acid Enzymes and MetabolismBiochemical and Molecular Research

Heat transfer effect on sound propagation in foam

Igor Goldfarb、I. R. Schreiber、F. I. Vafina1992-11-01The Journal of the Acoustical Society of America

The influence of heat transfer on the propagation of acoustic disturbances in a gas–liquid foam of polyhedral structure is considered in this paper. The presence of quasiordered structure of microcapillaries (Plateau–Gibbs channels) results in the appearance of a hydrodynamic effect caused by liquid motion along the c…

Lattice Boltzmann Simulation StudiesPickering emulsions and particle stabilizationHeat and Mass Transfer in Porous Media

Das erste Alkali‐Erdalkali‐Oxocuprat(II, III): NaBa2Cu22+Cu3+O6

G. Tams、Hk. Müller‐Buschbaum1992-11-01Zeitschrift für anorganische und allgemeine Chemie

Abstract Die Verbindung NaBa 2 Cu 3 O 6 wurde durch Reaktion von Na 2 O 2 , BaO 2 , Cu 2 O in geschlossenen Silberrohren erstmals dargestellt. An Einkristallen wurde die Kristallstruktur röntgenographisch aufgeklärt. NaBa 2 Cu 3 O 6 Kristallisiert orthorhombisch, Raumgruppe D ‐Fmmm mit a = 8,4229; b = 11,4418; c = 14,…

Layered Double Hydroxides Synthesis and ApplicationsChemical Synthesis and CharacterizationInorganic Fluorides and Related Compounds

Study of the oxidation protection of MgO‐C refractories by means of boron carbide

Tadeusz Rymon‐Lipinski、Ralf Fichtner、Theodor Benecke1992-11-01Steel Research

Boron carbide is used as a highly effective antioxidant in carbon‐containing refractories. The oxidation‐inhibiting action of this additive has not been clearly defined. The work first deals in theory with the stability of boron carbide at high temperatures. The practical section presents the reaction sequence as dete…

Advanced ceramic materials synthesisBoron and Carbon Nanomaterials ResearchMagnesium Oxide Properties and Applications

Spreading of smectic-Adroplets: Structure and dynamics of terraces

Jean Daillant、G. Zalczer、J. J. Benattar1992-11-01Physical Review A

The spreading of smectic-A droplets on a smooth, high-energy surface has been studied using x-ray reflectivity, ellipsometry, and video imaging at the Brewster angle. These droplets have a layered structure and terraces are evidenced. The dynamics of expansion or retraction of these terraces are investigated and compa…

Liquid Crystal Research AdvancementsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

CELL MOTILITY RHYTHMS INBACILLARIA PAXILLIFER

Margaret R. M. Kapinga、Richard Gordon1992-11-01Diatom Research

The motile diatom, Bacillaria paxillifer (O. F. Müll.) Hendy, shows a remarkable form of gliding motility in which entire colonies rhythmically expand and contract as single units. Cultures of Bacillaria grown under an alternating light/dark regime were found to exhibit rhythms in cell motility with the majority of co…

Algal biology and biofuel productionDiatoms and Algae ResearchBiocrusts and Microbial Ecology

Electron paramagnetic resonance and optical absorption spectra of Gd3+ ions in alkali cadmium borosulphate glasses

A.S. Rao、J.L. Rao、V.V. Ravi Kanth Kumar 等 5 位作者1992-11-01physica status solidi (b)

Abstract Electron paramagnetic resonance (EPR) at 9.205 GHz is examined for a series of Gd 3+ ‐doped alkali cadmium borosulphate (R 2 SO 4 · CdSO 4 · B 2 O 3 ; R = Li, Na, K or Cs) glasses. The spectra are similar to the U‐spectra familiar in many oxide, fluoride, and sulphate glasses, indicating very low and disorder…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsPhase-change materials and chalcogenides

Reactions of alkyl and fluoroalkyl radicals with nickel, iron, and manganese porphyrins

Dirk M. Guldi、Manmohan Kumar、P. Neta 等 4 位作者1992-11-01The Journal of Physical Chemistry

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReactions of alkyl and fluoroalkyl radicals with nickel, iron, and manganese porphyrinsDirk M. Guldi, Manmohan Kumar, P. Neta, and Peter HambrightCite this: J. Phys. Chem. 1992, 96, 23, 9576–9581Publication Date (Print):November 1, 1992Publication History Published online1 M…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesMetal-Catalyzed Oxygenation Mechanisms

Patterson-oriented automatic structure determination. Utilizing Patterson peaks

F. Pavelčík、Ľ. Kuchta、J. Sivý1992-11-01Acta Crystallographica Section A Foundations of Crystallography

Methods for automatic structure determination [Pavelčík (1988). Acta Cryst. A44, 724–729] have been extended by routines utilizing Patterson peaks and a new version of the XFPS computer program [Pavelčík, Rizzoli & Andreetti (1990). University of Parma, Italy, and Komensky Univ., Bratislava, Czechoslovakia] has been d…

Advanced Chemical Physics StudiesX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in Crystallography

Synthesis and characterization of two new quaternary chalcogenides, CaYbInQ4 (Q = S and Se), with an olivine-type structure

James Carpenter、Shiou Jyh Hwu1992-11-01Chemistry of Materials

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthesis and characterization of two new quaternary chalcogenides, CaYbInQ4 (Q = S and Se), with an olivine-type structureJames D. Carpenter and Shiou Jyh HwuCite this: Chem. Mater. 1992, 4, 6, 1368–1372Publication Date (Print):November 1, 1992Publication History Published…

Crystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Chemistry and Materials

A Paramagnetic, Mononuclear Organometallic Iridium(II) Complex: [Ir(C6Cl5)2(cod)]

María P. Garćia、M. Victoria Jiménez、Luis A. Oro 等 5 位作者1992-11-01Angewandte Chemie International Edition in English

Unexpectedly stable, 2 is the first mononuclear Ir II complex whose ligands are bound exclusively through C atoms. Complex 2 , prepared by oxidation of 1 with I 2 or Ag + , is close to square planar. The phenyl rings are almost perpendicular to the metal's coordination plane; the ortho Cl atoms are quite close to the…

Magnetism in coordination complexesElectrochemical Analysis and ApplicationsOrganic and Molecular Conductors Research

Subgrain-boundary migration during creep of lif III. Stress reduction experiments

W. F. J. Müller、M. Biberger、W. Blum1992-11-01Philosophical magazine. A/Philosophical magazine. A. Physics of condensed matter. Structure, defects and mechanical properties

The migration of subgrain boundaries and the development of the dislocation structure have been studied with the etch pit technique in the transient range of creep of pure <100>-oriented LiF single crystals after large stress reductions, which were performed in the steady state of compressive creep at 773 and 923 K (i…

Microstructure and mechanical propertiesHigh Temperature Alloys and CreepElectromagnetic Effects on Materials