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Protein and ligand dynamics in 4-hydroxybenzoate hydroxylase

Jian Wang、Mariliz Ortiz-Maldonado、Barrie Entsch 等 6 位作者2002-01-22Proceedings of the National Academy of Sciences

para-Hydroxybenzoate hydroxylase catalyzes a two-step reaction that demands precise control of solvent access to the catalytic site. The first step of the reaction, reduction of flavin by NADPH, requires access to solvent. The second step, oxygenation of reduced flavin to a flavin C4a-hydroperoxide that transfers the…

Enzyme Structure and FunctionPhotosynthetic Processes and MechanismsAmino Acid Enzymes and Metabolism

Single-Molecule Surface-Enhanced Raman and Fluorescence Correlation Spectroscopy of Horseradish Peroxidase

Erik J. Bjerneld、Zeno Földes‐Papp、Mikael Käll 等 4 位作者2002-01-22The Journal of Physical Chemistry B

We report on the spectroscopy and enzymatic activity of horseradish peroxidase (HRP) coupled to Ag nanoparticles. We show that vibrational spectra of single HRP molecules can be detected by measuring surface-enhanced Raman scattering (SERS) from isolated and immobilized protein−nanoparticle aggregates. However, the na…

Nanocluster Synthesis and ApplicationsProtein Interaction Studies and Fluorescence AnalysisGold and Silver Nanoparticles Synthesis and Applications

Orientation of an Organic Anion and Second-Staging Structure in Layered Double-Hydroxide Intercalates

Nobuo Iyi、Keiji Kurashima、Taketoshi Fujita2002-01-22Chemistry of Materials

Mg−Al layered double hydroxides (LDHs) intercalated with an anionic azobenzene derivative (AzAA) were prepared, and the arrangement of the incorporated AzAA was investigated by varying the starting AzAA/LDH ratios for two types of LDHs with different Mg/Al mole ratios, Mg/Al = 2.0 (LDH2) and 3.0 (LDH3). The observed b…

Inorganic Chemistry and MaterialsPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Adsorption and Reorientation Kinetics of Lysozyme on Hydrophobic Surfaces

Christian F. Wertz、Maria M. Santore2002-01-22Langmuir

Using total internal reflectance fluorescence (TIRF), we observe that lysozyme adsorption onto hydrophobic surfaces can exhibit kinetic overshoots at some conditions, while, at lower free solution concentrations or flow rates over the surface, the coverage monotonically approaches its final value. This behavior is exp…

Protein purification and stabilityPolymer Surface Interaction StudiesMicrofluidic and Bio-sensing Technologies

A Computational Study of the Raman Spectra of Large Polycyclic Aromatic Hydrocarbons: Toward Molecularly Defined Subunits of Graphite

Fabrizia Negri、Chiara Castiglioni、Matteo Tommasini 等 4 位作者2002-01-22The Journal of Physical Chemistry A

We present a quantum chemical investigation of the vibrational frequencies and Raman intensities of large polycyclic aromatic hydrocarbons (PAHs) as models for nanosized graphitic domains in carbon materials. The gradient corrected BLYP functional, in the framework of density functional theory, was employed to compute…

Carbon Nanotubes in CompositesFullerene Chemistry and ApplicationsGraphene research and applications

Ab-initio calculation of Kerr spectra for semi-infinite systems including multiple reflections and optical interferences

A. Vernes、L. Szunyogh、P. Weinberger2002-01-22arXiv

Based on Luttinger's formulation the complex optical conductivity tensor is calculated within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker method for layered systems by means of a contour integration technique. For polar geometry and normal incidence ab-initio Kerr spectra of multil…

Materials Science

Magneto-optical properties of Co|Pt multilayer systems

A. Vernes、L. Szunyogh、P. Weinberger2002-01-22arXiv

We are reporting, for the first time in the literature, theoretical Kerr spectra of Co|Pt multilayer systems as obtained on a first principles basis including multiple reflections and interferences from all the boundaries in-between the layers.

Materials Science

Layer-resolved optical conductivity of Co|Pt multilayers

A. Vernes、L. Szunyogh、L. Udvardi 等 4 位作者2002-01-22arXiv

The complex optical conductivity tensor is calculated for the Co|Pt systems by applying a contour integration technique within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker method. It is shown that the optical conductivity of the Co|Pt multilayer systems is dominated by contributions…

Materials Science

Nonlinear Dielectric Microwave Losses in MgO Substrates

M. A. Hein、D. E. Oates、P. J. Hirst 等 5 位作者2002-01-22arXiv

We have investigated the nonlinear surface impedance and two-tone intermodulation distortion of nine epitaxial YBa2Cu3O7-d films on MgO substrates, using stripline resonators, at frequencies f=2.3-11.2GHz and temperatures T=1.7K-Tc. The power dissipation decreased by up to one order of magnitude as the microwave elect…

SuperconductivityMaterials Science

Synthesis of rod-, twinrod-, and tetrapod-shaped CdS nanocrystals using a highly oriented solvothermal recrystallization technique

Meng Chen、Yi Xie、Jun Lu 等 7 位作者2002-01-22Journal of Materials Chemistry

Rod-, twinrod- and tetrapod-shaped CdS nanocrystals have been successfully prepared from the starting spherical CdS nanocrystals via a highly oriented solvothermal recrystallization technique. X-Ray powder diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy and high-resolution transmission…

Chalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applicationsQuantum Dots Synthesis And Properties

TheComputational Crystallography Toolbox: crystallographic algorithms in a reusable software framework

Ralf W. Grosse‐Kunstleve、Nicholas K. Sauter、Nigel W. Moriarty 等 4 位作者2002-01-22OpenAlex

The advent of structural genomics initiatives has led to a pressing need for high-throughput macromolecular structure determination. To accomplish this, new methods and inevitably new software must be developed to accelerate the process of structure solution. To minimize duplication of effort and to generate maintaina…

Machine Learning in Materials ScienceX-ray Diffraction in CrystallographyEnzyme Structure and Function

Calculation of pull-in voltages for carbon-nanotube-based nanoelectromechanical switches

Marc Dequesnes、Slava V. Rotkin、N. R. Aluru2002-01-22OpenAlex

We study the pull-in voltage characteristics of several nanotube electromechanical switches, such as double-wall carbon nanotubes suspended over a graphitic ground electrode. We propose parametrized continuum models for three coupled energy domains: the elastostatic energy domain, the electrostatic energy domain and t…

Graphene research and applicationsMechanical and Optical ResonatorsCarbon Nanotubes in Composites

Type I collagen is thermally unstable at body temperature

Eugenia Leikina、Marianna V. Mertts、Natalia V. Kuznetsova 等 4 位作者2002-01-22OpenAlex

Measured by ultra-slow scanning calorimetry and isothermal circular dichroism, human lung collagen monomers denature at 37 degrees C within a couple of days. Their unfolding rate decreases exponentially at lower temperature, but complete unfolding is observed even below 36 degrees C. Refolding of full-length, native c…

Meat and Animal Product QualityTextile materials and evaluationsCollagen: Extraction and Characterization

Nanostructure of sol–gel films by x-ray specular reflectivity

Sérgio L. Morelhão、G.E.S. Brito、E. Abramof2002-01-21Applied Physics Letters

Recently, several studies have been carried out on sol–gel films for optical applications, mostly motivated by the quickness and low cost of the film preparation process. In order to preserve the coherence properties of the light, improvements in the current quality of such films are necessary as well as appropriated…

Advanced X-ray Imaging TechniquesGlass properties and applicationsPhotorefractive and Nonlinear Optics

Elastic properties of hexagonal columnar mesophase self-organized from amphiphilic supramolecular columns

Hee‐Tae Jung、Sang Ouk Kim、Steven D. Hudson 等 4 位作者2002-01-21Applied Physics Letters

By direct imaging, we evaluate the relative stiffness of a hexagonal columnar mesophase induced by the self-organization of amphiphilic columnar supramolecules, both quantitatively and qualitatively, based on examination of the planar texture, and of defects contained therein. Quantitative measurement was performed by…

Dendrimers and Hyperbranched PolymersPolymer Surface Interaction StudiesSupramolecular Self-Assembly in Materials

NLO‐active maleimide copolymers with high glass transition temperatures

Masao Kato、Takao Shiraga、Tatsumi Kimura 等 6 位作者2002-01-21Polymers for Advanced Technologies

Abstract We synthesized some novel rigid NLO‐active maleimide copolymers bearing DR‐1 moieties ( PMPD , PHSD and PHND ). All copolymers exhibited high T g 's (190∼197 °C), good solubilities for common solvents and excellent film‐forming properties. Dependence of film thickness on the d 33 value for the poled copolymer…

Liquid Crystal Research AdvancementsNonlinear Optical Materials ResearchSynthesis and properties of polymers

Simple model for patterned bidirectional anchoring of nematic liquid crystal and its bistability

Makoto Yoneya、Jong‐Hyun Kim、Hiroshi Yokoyama2002-01-21Applied Physics Letters

An effective anchoring model for the patterned surface with bidirectional rubbing by atomic force microscope was proposed. The model was a simple additive function of two bidirectional anchoring contributions of the patterned surface, with consideration of higher-order terms of the anchoring function. The bistable swi…

Liquid Crystal Research AdvancementsForce Microscopy Techniques and ApplicationsAdhesion, Friction, and Surface Interactions

GaN metal–oxide–semiconductor structures using Ga-oxide dielectrics formed by photoelectrochemical oxidation

Dejun Fu、Younghae Kwon、T. W. Kang 等 9 位作者2002-01-21Applied Physics Letters

GaN metal–oxide–semiconductor (MOS) capacitors were fabricated by using Ga oxide formed by photoelectrochemical oxidation of GaN. The electrical properties of the MOS structures as characterized by capacitance–voltage measurement were found to be dependent on the oxidation time and posttreatment. Positive flatband vol…

GaN-based semiconductor devices and materialsSemiconductor materials and devicesGa2O3 and related materials

Effects of spatial separation on the growth of vertically aligned carbon nanofibers produced by plasma-enhanced chemical vapor deposition

V. I. Merkulov、Anatoli V. Melechko、Michael Guillorn 等 5 位作者2002-01-21Applied Physics Letters

Vertically aligned carbon nanofibers (VACNFs) with vastly different spacing were grown by catalytically controlled dc glow discharge chemical vapor deposition. Both densely packed VACNFs and essentially isolated VACNFs were studied using scanning electron microscopy and x-ray energy dispersive spectroscopy. The morpho…

Carbon Nanotubes in CompositesDiamond and Carbon-based Materials ResearchGraphene research and applications

Raman scattering and x-ray absorption studies of Ge–Si nanocrystallization

Alexander V. Kolobov、H. Ōyanagi、Noritaka Usami 等 9 位作者2002-01-21Applied Physics Letters

We have studied the local structure of GeSi nanocrystals embedded in SiO2 prepared by co-sputtering of Ge, Si, and SiO2 targets onto a Si(100) substrate. From Raman scattering, we conclude that the formation of the isotropic crystalline Ge phase starts at about 800 °C followed by the formation of a GeSi phase at highe…

Ion-surface interactions and analysisSemiconductor materials and interfacesSilicon Nanostructures and Photoluminescence