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Structure Rationalization and Topology Prediction of Two-Distinct-Component Organic Crystals: The Role of Volume Fraction and Interface Topology

Zhengtao Xu、Stephen Lee、Emil B. Lobkovsky 等 4 位作者2001-12-06Journal of the American Chemical Society

We consider here small-length-scale crystal structures with two clearly different molecular components (e.g., hydrophobic and hydrophilic). Using a perspective developed by studies on large-length-scale block copolymers and liquid crystals, we focus on the crystalline interface between the two components. We examine f…

Advanced Polymer Synthesis and CharacterizationCrystallography and molecular interactionsBlock Copolymer Self-Assembly

(TTF)2[TTF(CO2H)2(CO2)2]: a wholly TTF material containing TTF radical cations and TTF derived anions

Nicolas Mercier、Michel Giffard、Guillaume Pilet 等 9 位作者2001-12-06Chemical Communications

Electrooxidation of tetrathiafulvalene (TTF) carried out in the presence of (Bu4N)2TTF(CO2H)2(CO2)2 as supporting electrolyte affords wholly TTF organic materials in which TTF cations are associated with TTF(CO2H)2(CO2−)2 as counteranions.

Magnetism in coordination complexesOrganic and Molecular Conductors ResearchN-Heterocyclic Carbenes in Organic and Inorganic Chemistry

Explanation for the Needle Morphology of Crystals Applied to a β‘ Triacylglycerol

S. X. M. Boerrigter、F. F. A. Hollander、Jacco van de Streek 等 5 位作者2001-12-06Crystal Growth & Design

We describe a method that explains the morphology of needle-shaped crystals by analyzing the growth mechanisms for the various crystal faces, the relevant parameter being the edge free energy of a two-dimensional nucleus on a surface. As an example, the crystal morphology of a β‘ triacylglycerol is chosen. The results…

Crystallography and molecular interactionsEnzyme Structure and FunctionCrystallization and Solubility Studies

Controlled Attachment of PAMAM Dendrimers to Solid Surfaces

C. A. Fail、S. A. Evenson、L. J. Ward 等 5 位作者2001-12-06Langmuir

Amine-terminated polyamidoamine (PAMAM) dendrimers can be immobilized onto anhydride-functionalized pulsed plasma polymer surfaces via amide linkage formation. The packing density of dendrimers at the surface can be tailored by programming the pulse duty cycle parameters during plasma polymerization. These PAMAM dendr…

Surface Modification and SuperhydrophobicityPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Crystal structure of non‐allosteric L‐lactate dehydrogenase from Lactobacillus pentosus at 2.3 Å resolution: Specific interactions at subunit interfaces

H. Uchikoba、Shinya Fushinobu、Takayoshi Wakagi 等 6 位作者2001-12-06Proteins Structure Function and Bioinformatics

L-Lactate dehydrogenase (LDH) from Lactobacillus pentosus is a non-allosteric enzyme, which shows, however, high sequence similarity to allosteric LDHs from certain bacteria. To elucidate the structural basis of the absence of allostery of L. pentosus LDH (LPLDH), we determined the crystal structure of LPLDH at 2.3 A…

Protein Structure and DynamicsProtein purification and stabilityEnzyme Structure and Function

Covalent Attachment of Novel Poly(ethylene glycol)−Poly(dl-lactic acid) Copolymeric Micelles to TiO2 Surfaces

Ning-Ping Huang、Gábor Csúcs、Kazunori Emoto 等 7 位作者2001-12-06Langmuir

We have investigated the attachment of recently developed poly(ethylene glycol)−poly( dl -lactic acid) (PEG−PLA) copolymeric micelles onto functionalized TiO 2 and Au. The attachment and immobilization of the micelles were investigated via X-ray photoelectron spectroscopy and reflection−absorption infrared spectroscop…

Nanoparticle-Based Drug DeliverySurfactants and Colloidal SystemsPolymer Surface Interaction Studies

Magnetic Nanostructures Grown on Vertically Aligned Carbon Nanotube Templates

Wu、Qiao Qiao、Qiu 等 5 位作者2001-12-06Nano Letters

We describe the growth of magnetic nanostructures on carbon nanotube templates. The nanotubes were grown by microwave plasma enhanced chemical vapor deposition. The as-grown nanotubes were aligned reasonably well around the substrate normal directions. However, it was found that the nanotubes grown on magnetic catalys…

Carbon Nanotubes in CompositesGraphene research and applicationsNanopore and Nanochannel Transport Studies

Interdiffusion and reaction of metals: The influence and relaxation of mismatch-induced stress

F. Hartung、Guido Schmitz2001-12-06Physical review. B, Condensed matter

The early interdiffusion stages in epitaxially grown Ag/Au and Cu/Au reaction couples are investigated by high-resolution and Z-contrast electron microscopy. While the interdiffusion in the lattice-matched system Ag/Au follows Fick's diffusion laws from the very beginning, a complex two-stage reaction is observed in t…

Microstructure and mechanical propertiesIntermetallics and Advanced Alloy Propertiesnanoparticles nucleation surface interactions

Representation of mechanical loads in molecular dynamics simulations

Fabrizio Cleri2001-12-06Physical review. B, Condensed matter

We describe a constant-traction molecular dynamics method to perform simulations of a generic atomistic system under an applied external load. The main objective is to ensure consistency between the atomistic model and the macroscopic continuum-mechanics description. Examples of simulations for different kinds of exte…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsForce Microscopy Techniques and Applications

A stable, high relaxivity, diaqua gadolinium complex that suppresses anion and protein bindingElectronic supplementary information (ESI) available: pH dependence of europium emission spectra, stability screening details and relaxivity/pH plots for selected Gd complexes. See http://www.rsc.org/suppdata/cc/b1/b108294a/

Dimitri Messeri、Mark P. Lowe、David Parker 等 4 位作者2001-12-06Chemical Communications

The high relaxivity of [GdaDO3A]3− (r1p = 12.3 mM−1 s−1, 20 MHz, 298 K, τm = 30 ns) in water is maintained in serum solution because the binding of protein and endogeneous anions, e.g. HCO3−/CO32− is suppressed by electrostatic repulsion.

Molecular Sensors and Ion DetectionRadioactive element chemistry and processingLanthanide and Transition Metal Complexes

Intramolecular Excimer Emissions of syn- and anti-[3.3](3,9)Carbazolophanes in Solutions

Hideo Ohkita、Shinzaburo Ito、Masahide Yamamoto 等 5 位作者2001-12-06The Journal of Physical Chemistry A

The photophysical properties of carbazole excimers were investigated using syn - and anti -[3.3](3,9)carbazolophanes: the syn -carbazolophane is a model compound for a fully overlapped carbazole excimer and the anti -carbazolophane for a partially overlapped carbazole excimer the structures of which have been determin…

Porphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent Materials

New Schiff base zinc(ii) complexes exhibiting second harmonic generation

Cara C. Evans、Dominique Luneau2001-12-06Journal of the Chemical Society Dalton Transactions

Four bis(salicylaldiminato)zinc(II) complexes have been synthesized from four Schiff bases obtained by the condensation of chiral (R)-(+)-1-phenylethylamine with salicylaldehyde (1), 5-nitrosalicylaldehyde (2), 3,5-dichlorosalicylaldehyde (3) and 5-methoxysalicylaldehyde (4). The complexes crystallize in the noncentro…

Crystal structures of chemical compoundsNonlinear Optical Materials ResearchChemical synthesis and pharmacological studies

Polyelectrolyte Spin-Assembly

Peter A. Chiarelli、Malkiat S. Johal、Daniel Holmes 等 6 位作者2001-12-06Langmuir

Polyelectrolyte thin films composed of alternating layers were spin-assembled by sequentially dropping cationic and anionic aqueous solutions onto a spinning substrate. In this work, we show the applicability of our technique to multiple systems and present two methods for producing linear film growth. The polycations…

Electrospun Nanofibers in Biomedical ApplicationsPolymer Surface Interaction StudiesDendrimers and Hyperbranched Polymers

Electronic structure of the transparentp-type semiconductor (LaO)CuS

Shin‐ichiro Inoue、Kazushige Ueda、Hideo Hosono 等 4 位作者2001-12-06Physical review. B, Condensed matter

(LaO)CuS with a layered structure is a transparent p-type semiconductor (band $\mathrm{gap}=3.1\mathrm{eV}),$ which gives an excitonic absorption/emission near the band edge even at room temperature. We examined the electronic structure of this material by photoemission and inverse photoemission spectroscopy and consi…

ZnO doping and propertiesChalcogenide Semiconductor Thin FilmsCopper-based nanomaterials and applications

Synthesis of Novel Stable Nanometer-Sized Metal (M = Pd, Au, Pt) Colloids Protected by a π-Conjugated Polymer

Yong Zhou、Hideaki Itoh、Takashi Uemura 等 5 位作者2001-12-06Langmuir

Novel π-conjugated polymer-protected metal (M = Pd, Au, Pt) nanoparticles of narrow size distribution and high dispersity were prepared via reduction of the metal ions by a π-conjugated poly(dithiafulvene) (PDF) having strong electron-donating properties. The oxidized polymer protected the metal nanoparticles as stabl…

Perovskite Materials and ApplicationsQuantum Dots Synthesis And PropertiesConducting polymers and applications

Analysis of the Nature of Oxyanion Adsorption on Gold Nanomaterial Surfaces

Scott L. Cumberland、Geoffrey F. Strouse2001-12-06Langmuir

Colloidal gold nanoparticles can be isolated from excess citric acid buffer by electrolyte-induced precipitation from water solutions through the addition of oxyanions. This allows the nanomaterials to be isolated as freely soluble powders that can be readily redissolved in water or buffer solution for other applicati…

Gold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesElectrochemical Analysis and Applications

Salt effect in the synthesis of mesoporous silica templated by non-ionic block copolymers

Chengzhong Yu、Bozhi Tian、Jie Fan 等 5 位作者2001-12-06Chemical Communications

The use of inorganic salts during the synthesis of mesoporous materials with block copolymers can dramatically widen the syntheses domain (in temperature, surfactant concentration, etc.) and broaden the range of surfactants that can be utilized to produce highly ordered mesostructures.

Zeolite Catalysis and SynthesisMesoporous Materials and CatalysisPolyoxometalates: Synthesis and Applications

Anisotropy of Quasiparticle Lifetimes and the Role of Disorder in Graphite from Ultrafast Time-Resolved Photoemission Spectroscopy

Gunnar Moos、Cornelius Gahl、Román Fasel 等 5 位作者2001-12-06Physical Review Letters

Femtosecond time-resolved photoemission of photoexcited electrons in highly oriented pyrolytic graphite (HOPG) provides strong evidence for anisotropies of quasiparticle (QP) lifetimes. Indicative of such anisotropies is a pronounced anomaly in the energy dependence of QP lifetimes between 1.1 and 1.5 eV--the vicinity…

Advancements in Battery MaterialsGraphene research and applicationsGraphite, nuclear technology, radiation studies

Alignments grow, secondary structure prediction improves

Dariusz Przybylski、Burkhard Rost2001-12-06Proteins Structure Function and Bioinformatics

Using information from sequence alignments significantly improves protein secondary structure prediction. Typically, more divergent profiles yield better predictions. Recently, various groups have shown that accuracy can be improved significantly by using PSI-BLAST profiles to develop new prediction methods. Here, we…

Genomics and Phylogenetic StudiesProtein Structure and DynamicsEnzyme Structure and Function

Heme Protein−Clay Films: Direct Electrochemistry and Electrochemical Catalysis

Ying‐Lin Zhou、Naifei Hu、Yonghuai Zeng 等 4 位作者2001-12-06Langmuir

Stable protein−clay films were fabricated by casting an aqueous dispersion of protein and clay on pyrolytic graphite electrodes. Myoglobin (Mb), hemoglobin (Hb), and horseradish peroxidase (HRP) in clay films gave a pair of well defined, quasi-reversible cyclic voltammetric peaks at about −0.28 V vs SCE in pH 5.5 buff…

Electrochemical sensors and biosensorsIron Metabolism and DisordersPolymer Surface Interaction Studies