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Predicting protein decomposition: the case of aspartic–acid racemization kinetics

Matthew J. Collins、E. R. Waite、Adri C. T. van Duin1999-01-29Philosophical Transactions of the Royal Society B Biological Sciences

The increase in proportion of the non-biological (D-) isomer of aspartic acid (Asp) relative to the L-isomer has been widely used in archaeology and geochemistry as a tool for dating. the method has proved controversial, particularly when used for bones. The non-linear kinetics of Asp racemization have prompted a numb…

Enzyme Structure and FunctionCollagen: Extraction and CharacterizationBone and Dental Protein Studies

The Synthetic and Structural Chemistry of Heme Derivatives with Nitric Oxide Ligands

W. Robert Scheidt、M.K. Ellison1999-01-29Accounts of Chemical Research

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe Synthetic and Structural Chemistry of Heme Derivatives with Nitric Oxide LigandsW. Robert Scheidt and Mary K. EllisonView Author Information The Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556 Cite this: Acc. Chem. Res. 1999,…

Porphyrin and Phthalocyanine ChemistryMetal-Catalyzed Oxygenation MechanismsHemoglobin structure and function

Design Strategies for Solid-State Supramolecular Arrays Containing Both Mixed-Metalated and Freebase Porphyrins

C. V. Krishnamohan Sharma、G.A. Broker、Jonathan G. Huddleston 等 6 位作者1999-01-29Journal of the American Chemical Society

The design of predictable multichromophoric supramolecular arrays of freebase and metallo porphyrins constitutes an essential first step toward the synthesis of light-harvesting complexes. We now report crystal engineering strategies to achieve the synthesis of controllable and predictable porphyrinic multichromophore…

Molecular Sensors and Ion DetectionSupramolecular Chemistry and ComplexesPorphyrin and Phthalocyanine Chemistry

Visible Quantum Cutting in LiGdF 4 :Eu 3+ Through Downconversion

R. T. Wegh、H. Donker、K.D Oskam 等 4 位作者1999-01-29OpenAlex

For mercury-free fluorescent lamps and plasma display panels, alternative luminescent materials are required for the efficient conversion of vacuum ultraviolet radiation to visible light. Quantum cutting involving the emission of two visible photons for each vacuum ultraviolet photon absorbed is demonstrated in Eu3+-d…

Luminescence Properties of Advanced MaterialsSolid State Laser TechnologiesLuminescence and Fluorescent Materials

VISCOMETRIC STUDY OF CELLULOSE IN PF/DMSO SOLUTION

Chunju He、Qingrui Wang1999-01-28Journal of Macromolecular Science Part A

Cellulose samples were found to be soluble in PF/DMSO to form a genuine dilute solution without suffering obvious degradation under adequate conditions. The Mark-Houwink-Sakurada equation for cellulose in PF/DMSO at 30°C obtained here was [η] = 3.01 × DP0.81 where [η] is in the unit of cm3·g−1. The intrinsic viscosity…

High voltage insulation and dielectric phenomenaAdvanced Cellulose Research StudiesMaterial Properties and Processing

The Structure and Properties of Glassy Polymers

Anita J. Hill、Martin R. Tant1999-01-28ACS symposium series

An overview of the physics of glassy polymers and the relationships between molecular mechanisms and macroscopic physical, mechanical and transport properties of polymer glasses is presented. The importance of local translational and/or rotational motions of molecular segments in the glass is discussed in terms of the…

Material Dynamics and PropertiesGlass properties and applicationsAdsorption, diffusion, and thermodynamic properties of materials

IR and XPS Study of NO and CO Interaction with Palladium Catalysts Supported on Aluminosilicates

Anna Maria Venezia、Leonarda Francesca Liotta、G. Deganello 等 6 位作者1999-01-28Langmuir

Adsorption of CO and NO individually and as a mixture of both on palladium catalysts has been investigated by Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). The effect of sodium ions has been considered by comparing Pd/SiO 2 catalyst, sodium-doped Pd/SiO 2, and Pd on natural…

Catalytic Processes in Materials ScienceExtraction and Separation ProcessesCatalysis and Oxidation Reactions

1H/15N HSQC NMR Studies of Ligand Carboxylate Group Interactions with Arginine Residues in Complexes of Brodimoprim Analogues and Lactobacillus casei Dihydrofolate Reductase,

William D. Morgan、B. Birdsall、Pedro M. Nieto 等 5 位作者1999-01-28Biochemistry

1H and 15N NMR studies have been undertaken on complexes of Lactobacillus casei dihydrofolate reductase (DHFR) formed with analogues of the antibacterial drug brodimoprim (2,4-diamino-5-(3', 5'-dimethoxy-4'-bromobenzyl)pyrimidine) in order to monitor interactions between carboxylate groups on the ligands and basic res…

Probiotics and Fermented FoodsEnzyme Structure and FunctionBiopolymer Synthesis and Applications

Amorphous WO3 Films via Chemical Vapor Deposition from Metallorganic Precursors Containing Phosphorus Dopant

E. Brescacin、Marino Basato、E. Tondello1999-01-28Chemistry of Materials

Amorphous WO 3 films, doped with phosphorus, have been synthesized by chemical vapor deposition of volatile, low-melting P-substituted tungsten carbonyls. The presence of a small quantity of dopant released by the precursor during its decomposition is sufficient to inhibit the crystallization of the tungsten oxide on…

Gas Sensing Nanomaterials and SensorsConducting polymers and applicationsTransition Metal Oxide Nanomaterials

Spherulitic Crystallization of Chitosan Oligomers

Emmanuel Belamie、Alain Domard、Henri Chanzy 等 4 位作者1999-01-28Langmuir

Chitosan crystallization, performed by simple drying of an oligomer or polymer solution on a glass or mica surface, was studied at room temperature. Polarizing microscopy revealed the formation of two-dimensional spherulites that were shown to have a negative birefringence. After metal shadowing, electron microscopy i…

Nanocomposite Films for Food PackagingPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Molecular Dynamics in Binary Organic Glass Formers

Th. Blochowicz、C. Karle、A. Kudlik 等 10 位作者1999-01-28The Journal of Physical Chemistry B

We investigated binary low-molecular-weight glass formers as model systems for mixtures of small and large molecules. Tricresyl phosphate (TCP) in oligomeric styrenes (OS), benzene in OS and polystyrene (PS), and benzene in TCP were studied by applying dielectric spectroscopy as well as 1 H, 2 H, and 31 P NMR spectros…

Material Dynamics and PropertiesGlass properties and applicationsThermodynamic properties of mixtures

Spin-Dependent Delocalization in Three Isostructural Complexes [LFeNiFeL]2+/3+/4+ (L = 1,4,7-(4-tert-Butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane)

Thorsten Glaser、Frank Kesting、Thomas Beissel 等 7 位作者1999-01-28Inorganic Chemistry

The reaction of mononuclear [LFe(III)] where L represents the trianionic ligand 1,4,7-tris(4-tert-butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane with NiCl(2).6H(2)O and subsequent oxidations with [Ni(III)(tacn)(2)](ClO(4))(3) (tacn = 1,4,7-triazacyclononane) and PbO(2)/methanesulfonic acid produced an isostructural s…

Magnetism in coordination complexesMetalloenzymes and iron-sulfur proteinsAmmonia Synthesis and Nitrogen Reduction

Structure and Properties of Glassy Polymers

Martin R. Tant、Anita J. Hill1999-01-28ACS symposium series

An overview of the physics of glassy polymers and the relationships between molecular mechanisms and macroscopic physical, mechanical and transport properties of polymer glasses is presented. The importance of local translational and/or rotational motions of molecular segments in the glass is discussed in terms of the…

Material Dynamics and PropertiesGlass properties and applicationsAdsorption, diffusion, and thermodynamic properties of materials

Melt rheological properties of polypropylene–maleated polypropylene blends. II. Dynamic viscoelastic properties

Shucai Li、Pentti Järvelä、Pentti K. Järvelä 等 5 位作者1999-01-28Journal of Applied Polymer Science

The dynamic viscoelastic properties of polypropylene (PP)–maleated PP blends in the molten state have been investigated with a dynamic mechanical thermal analyzer (PL-DMTA MKII) at a frequency range (ω) of 0.6 ∗︁ 10−1–3.14 ∗︁ 102 rad s−1. In the study, the blends were prepared by melt-blending in a twin-screw extruder…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Correlation of Rheology and Light Scattering in Isotactic Polypropylene during Early Stages of Crystallization

N.V. Pogodina、Sanaul K. Siddiquee、Jan W. van Egmond 等 4 位作者1999-01-28Macromolecules

Structure development during crystallization of isotactic polypropylene (iPP) at low undercooling is studied by small-angle light scattering (SALS) and light transmission. The structure development is related to network formation (gelation) as previously measured on the same sample in dynamic mechanical experiments. C…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Crystal Structure of an Unusual Polytype: 7H-Ba7Nb4MoO20

E. Garcı́a-González、M. Parras、J.M. González-Calbet1999-01-28Chemistry of Materials

A new cation deficient hexagonal perovskite with the unusual polytype 7H (hhchhcc) has been obtained in the Ba−Mo−Nb−O system for the Ba 7 Nb 4 MoO 20 composition. It crystallizes in the P 3̄ m 1 space group (No. 164) with hexagonal lattice parameters a = 5.8644(2) Å and c = 16.5272(4) Å. The crystal structure has bee…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisInorganic Chemistry and Materials

A phenomenological electronic stopping power model for molecular dynamics and Monte Carlo simulation of ion implantation into silicon

David Cai、Niels Gronbech-Jensen、Charles M. Snell 等 4 位作者1999-01-28arXiv

It is crucial to have a good phenomenological model of electronic stopping power for modeling the physics of ion implantation into crystalline silicon. In the spirit of the Brandt-Kitagawa effective charge theory, we develop a model for electronic stopping power for an ion, which can be factorized into (i) a globally…

Materials ScienceChemical Physicsphysics.comp-ph

An Efficient Molecular Dynamics Scheme for the Calculation of Dopant Profiles due to Ion Implantation

Keith M. Beardmore、Niels Gronbech-Jensen1999-01-28arXiv

We present a highly efficient molecular dynamics scheme for calculating the concentration depth profile of dopants in ion irradiated materials. The scheme incorporates several methods for reducing the computational overhead, plus a rare event algorithm that allows statistically reliable results to be obtained over a r…

Materials ScienceChemical Physicsphysics.comp-ph

Simulation of phosphorus implantation into silicon with a single-parameter electronic stopping power model

D. Cai、C. M. Snell、K. M. Beardmore 等 4 位作者1999-01-28arXiv

We simulate dopant profiles for phosphorus implantation into silicon using a new model for electronic stopping power. In this model, the electronic stopping power is factorized into a globally averaged effective charge Z1*, and a local charge density dependent electronic stopping power for a proton. There is only a si…

Materials ScienceChemical Physicsphysics.comp-ph

Nonlinear Magneto-Optics of freestanding Fe monolayers from first principles

J. P. Dewitz、W. Hübner1999-01-28arXiv

The nonlinear magneto-optical Kerr-effect (NOLIMOKE) is determined for freestanding Fe monolayers with several in-plane structures from first principles. Based on the theory of nonlinear magneto-optics by Hübner and Bennemann [Phys. Rev. B, {\bf 40}, 5973 (1989)] we calculate the nonlinear susceptibilities of the mono…

Materials Science