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Phasing protein structures using the group–subgroup relation

Luigi Di Costanzo、Federico Forneris、Silvano Geremia 等 4 位作者2003-07-22Acta Crystallographica Section D Biological Crystallography

Diffraction data from two non-isomorphous crystals (forms 1 and 2) of an artificial protein with a four-helix bundle motif, di-Co(II)-DF1-L13A, have been collected using synchrotron radiation. The phase of form 1 has been assigned using the group and minimal non-isomorphic supergroup relation between the space group o…

Enzyme Structure and FunctionProtein Structure and DynamicsGlycosylation and Glycoproteins Research

Transition and spin dynamics at very low temperature in the pyrochlores Yb2Ti2O7 and Gd2Sn2O7

P. Bonville、J. A. Hodges、E. Bertin 等 13 位作者2003-07-22arXiv

The very low temperature properties of two pyrochlore compounds, Yb2Ti2O7 and Gd2Sn2O7, were investigated using an ensemble of microscopic and bulk techniques. In both compounds, a first order transition is evidenced, as well as spin dynamics persisting down to the 20mK range. The transition however has a quite differ…

Materials Science

Effective Hamiltonian for Ga_{1-x}Mn_xAs in the Dilute Limit

Gregory A. Fiete、Gergely Zarand、Kedar Damle2003-07-22arXiv

We derive an effective Hamiltonian for ${\rm Ga}_{1-x}{\rm Mn}_x {\rm As}$ in the dilute limit, where ${\rm Ga}_{1-x}{\rm Mn}_x {\rm As}$ can be described in terms of spin $F=3/2$ polarons hopping between the {\rm Mn} sites and coupled to the local {\rm Mn} spins. We determine the parameters of our model from microsco…

Materials ScienceMesoscale and Nanoscale Physics

First Principles Calculation of Anomalous Hall Conductivity in Ferromagnetic bcc Fe

Yugui Yao、L. Kleinman、A. H. MacDonald 等 8 位作者2003-07-22arXiv

We perform a first principles calculation of the anomalous Hall effect in ferromagnetic bcc Fe. Our theory identifies an intrinsic contribution to the anomalous Hall conductivity and relates it to the k-space Berry phase of occupied Bloch states. The theory is able to account for both dc and magneto-optical Hall condu…

Materials ScienceMesoscale and Nanoscale Physics

On Critical Current Enhancement in Dislocated, Deoxygenated and Particle Irradiated Superconductors: A Unified Approach

Sergei Sergeenkov2003-07-22arXiv

A unified approach for description of the anomalous critical current enhancement in dislocated, deoxygenated, and particle irradiated superconductors is proposed based on a novel concept of "active pinning" (pinning via external fields modified intrinsic Josephson junctions) and existence of various competitive forces…

Materials ScienceSuperconductivity

Character of Atomic Vibrations in a Lennard-Jones Glass

Philip B. Allen、W. Garber、L. Angelani2003-07-22arXiv

Lennard-Jones glasses (made on a computer by quenching from liquid state coordinates) are studied in harmonic approximation. Vibrational eigenfrequencies and eigenvectors are found by exact diagonalization for models with periodic boundaries and N=(500, 2048, and 6980) atoms. We analyze the density of states, mobility…

Soft Condensed MatterMaterials Science

Electronic structures of UTSn (T=Ni, Pd) using photoemission spectroscopy

J. -S. Kang、S. C. Wi、J. H. Kim 等 7 位作者2003-07-22arXiv

The electronic structures of the localized $5f$ systems UTSn (T=Ni, Pd) have been investigated using photoemission spectroscopy (PES). The extracted U $5f$ PES spectra of UTSn (T=Ni, Pd) exhibit a broad peak centered at $\sim 0.3$ eV below $\rm E_F$ with rather small spectral weight near $\rm E_F$ (N$_f$($\rm E_F$)).…

Materials Science

Chemical and Biochemical Sensing with Modified Single Walled Carbon Nanotubes

Jason J. Davis、Karl S. Coleman、Bobak R. Azamian 等 5 位作者2003-07-22OpenAlex

The nano dimensions, graphitic surface chemistry and electronic properties of single walled carbon nanotubes make such a material an ideal candidate for chemical or biochemical sensing. Carbon nanotubes can be nondestructively oxidized along their sidewalls or ends and subsequently covalently functionalized with collo…

Carbon Nanotubes in CompositesElectrochemical sensors and biosensorsElectrochemical Analysis and Applications

Upgraded expression of 5S rRNA preludes the production of fibroin by spider glands

Edwin J. Vazquez、G. Arroyo、Iván J. Cajigas 等 4 位作者2003-07-21Journal of Experimental Zoology Part A Comparative Experimental Biology

We have developed the large ampullate glands of the orb-web spider Nephila clavipes as a model system in which to study the production of a tissue-specific secretory protein. Through simple manipulations, the glands' fibroin production can be practically abolished and subsequently elicited into high levels of synthesi…

Silk-based biomaterials and applicationsAntimicrobial Peptides and ActivitiesInvertebrate Immune Response Mechanisms

Morphology Of SBS–Modified Asphalt Using Low Vacuum SEM

I. Puente-Lee、P.S. Schabes-Retchkiman、José Manuel Rojas-García 等 5 位作者2003-07-21Microscopy and Microanalysis

I Puente-Lee, P S Schabes-Retchkiman, J Rojas-García, L Ríos-Guerrero, R Herrera-Nájera; Morphology Of SBS–Modified Asphalt Using Low Vacuum SEM, Microscop

Asphalt Pavement Performance EvaluationCorrosion Behavior and InhibitionConcrete Corrosion and Durability

PROPOSAL OF NEW HIGH PERFORMANCE STEELS FOR BRIDGES (BHS500, BHS700)

Chitoshi MIKI、Atsushi ICHIKAWA、Takashi Kusunoki 等 4 位作者2003-07-21Doboku Gakkai Ronbunshu

最近, 様々な優れた特性を持つ鋼材が開発されている. しかし, それらの鋼材は, 必ずしも橋梁の性能と適合したものになっているわけではない. 橋梁の性能に適合した鋼材を選定することができれば, 橋梁の性能向上のほか, 橋梁の建設コストを縮減することも可能になる.本論文では, 日本における高強度鋼材の開発と使用の歴史をレヴューしたうえで, 橋梁用鋼材として求められる性能をまとめ, その性能を満足する鋼材を橋梁用高性能鋼材BHS500, BHS500WおよびBHS700として提案する. BHS500およびBHS500Wについては, 各種特性試験を行って要求性能を満足することを確認するとともに, これらの鋼材を用いるとどの程度のコスト縮…

Non-Destructive Testing TechniquesStructural Engineering and Materials AnalysisMetal Alloys Wear and Properties

Reverse Micelle-assisted Route to Control Diameters of ZnO Nanorods by Selecting Different Precursors

Zhengquan Li、Yi Xie、Yujie Xiong 等 5 位作者2003-07-21Chemistry Letters

Abstract A reverse micelle-assisted route was reported to prepare ZnO nanorods from two different precursors, Zn(NH3)42+ and Zn(OH)42−, respectively. The reverse micelles were used as microreactors, which lead into anisotropic growth of ZnO crystals during a simple solvothermal process.

Copper-based nanomaterials and applicationsQuantum Dots Synthesis And PropertiesZnO doping and properties

A Phthalocyanine Producing Green, Ocher, and Red Colors Depending on the Central Metals

Takamitsu Fukuda、Kosuke Ono、S. Homma 等 4 位作者2003-07-21Chemistry Letters

Abstract Metal complexes of a highly deformed 1,4,8,11,15,18,22,25-octaphenylphthalocyanine have been synthesized, and found to show various colors ranging from bright green, ocher, and red depending on the central metal employed.

Photochromic and Fluorescence ChemistryPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

Effect of surface‐grafted ionic groups on the performance of cellulose‐fiber‐reinforced thermoplastic composites

Xiaolin Cai、Bernard Riedl、A. Aı̈t-Kadi2003-07-21Journal of Polymer Science Part B Polymer Physics

Abstract The influence of the surface chemistry of the cellulose fiber and polymer matrix on the mechanical and thermal dynamic mechanical properties of cellulose‐fiber‐reinforced polymer composites was investigated. The cellulose fiber was treated either with a coupling agent or with a coupling‐agent treatment follow…

Natural Fiber Reinforced CompositesFiber-reinforced polymer compositesAdvanced Cellulose Research Studies

Thermotropic liquid‐crystalline polymers containing five‐membered heterocyclic groups. X. Relationships between structures of semirigid polyesters based on three disubstituted 2,5‐diphenyl‐1,3,4‐thiadiazoles and thermotropic liquid‐crystalline and optical properties

Moriyuki Sato、Shinji Nakashima、Yuko Uemoto2003-07-21Journal of Polymer Science Part A Polymer Chemistry

Abstract Thermotropic liquid‐crystalline (LC) semirigid polyesters based on three terphenyl analogues of 1,3,4‐thiadiazole (2,5‐diphenyl‐1,3,4‐thiadiazole)s (DPTD) linking undecamethyleneoxy chain at different substituted positions were synthesized from three disubstituted (4,4′‐, 3,4′‐, and 3,3′‐) dioxydiundecanols o…

Organic Electronics and PhotovoltaicsSynthesis and properties of polymersLiquid Crystal Research Advancements

Infrared absorption by excitons in Cu2O

M. Jörger、E. Tsitsishvili、Tobias Fleck 等 4 位作者2003-07-21physica status solidi (b)

Abstract In a differential absorption experiment the induced infrared transitions from the excitonic 1s to the 2p levels in Cu 2 O have been investigated. Intermediate densities of 1s excitons were created by cw‐laser excitation while the interexcitonic 1s to 2p transitions were probed simultaneously, using Fourier sp…

Copper-based nanomaterials and applicationsElectronic and Structural Properties of OxidesPhysics of Superconductivity and Magnetism

Ferromagnetism in [Mn(Cp*)2]+‐Derived Complexes: the “Miraculous” Stacking in [Mn(Cp*)2][Ni(dmit)2]

C. Faulmann、Éric Rivière、S. Dorbes 等 6 位作者2003-07-21European Journal of Inorganic Chemistry

Abstract The synthesis and characterisation (X‐ray structure and magnetism) of metal complexes (Ni, Au) with the [Mn(Cp*) 2 ] + cation and the dmit 2− and dmid 2− ligands are reported. [Mn(Cp*) 2 ][Ni(dmit) 2 ] ( 1 ) and [Mn(Cp*) 2 ][Au(dmit) 2 ] ( 2 ) exhibit the same structural arrangement, built on stacks of [Ni(dm…

Organic and Molecular Conductors ResearchMetal-Catalyzed Oxygenation MechanismsMagnetism in coordination complexes

Transport, magnetic, and structural properties ofLa1−xMxMnO3(M=Ba,Sr, Ca) for0<~x<~0.20

P. Mandal、Barnali Ghosh2003-07-21Physical review. B, Condensed matter

At high temperatures both the resistivity $(\ensuremath{\rho})$ and thermopower of ${\mathrm{La}}_{1\ensuremath{-}x}{M}_{x}{\mathrm{MnO}}_{3}$ $(M=\mathrm{Ba},$ Sr, Ca) single crystals can be described well by a small-polaron hopping model. The polaron binding energy decreases while the orbital ordering transition ${(…

Advanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materialsRare-earth and actinide compounds

Synthesis and characterization of poly(diethylsiloxane) and its copolymers with different diorganosiloxane units

Lihua Liu、Shiyan Yang、Zhijie Zhang 等 5 位作者2003-07-21Journal of Polymer Science Part A Polymer Chemistry

Abstract Poly(diethylsiloxane) and its copolymers with various kinds of R 1 R 2 SiO (R 1 = R 2 = methyl or phenyl, or R 1 = methyl and R 2 = phenyl) units have been prepared by the equilibrium polymerization of cyclosiloxanes. All the polymers have been characterized by 1 H and 29 Si NMR, gel permeation chromatography…

Polymer composites and self-healingSilicone and Siloxane ChemistryMarine Biology and Environmental Chemistry

Synthesis, Crystal and Magnetic Structure of the Double Perovskites A2NiMoO6 (A = Sr, Ba): A Neutron Diffraction Study

Marı́a Jesús Martı́nez-Lope、J. A. Alonso、M. T. Casáis2003-07-21European Journal of Inorganic Chemistry

Abstract A 2 NiMoO 6 (A = Sr, Ba) perovskites have been prepared in polycrystalline form by thermal treatment, in air, of previously decomposed citrate precursors. These materials have been studied by X‐ray (XRD) and neutron powder diffraction (NPD) data. At room temperature, the crystal structure is tetragonal, space…

Thermal Expansion and Ionic ConductivityAdvanced Condensed Matter PhysicsMagnetic and transport properties of perovskites and related materials