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A Rapid Method for Screening Crystallization Conditions and Phases of an Active Pharmaceutical Ingredient

Thibaud Detoisien、Maxime Forite、Pascal Taulelle 等 7 位作者2009-09-29Organic Process Research & Development

Here we present a useful methodology for rapid screening of crystallization conditions and phases in the pharmaceutical industry using a multiwell setup with video-microscopy developed in our laboratory. This methodology which detects, from small quantities of an active pharmaceutical ingredient, crystal habit modific…

Crystallization and Solubility StudiesPharmacological Effects of Natural CompoundsChromatography in Natural Products

Molybdenum(VI) Dioxo Complexes with Tridentate Phenolate Ligands

Martina E. Judmaier、Andreas Wallner、G.N. Stipicic 等 7 位作者2009-09-29Inorganic Chemistry

A series of new molybdenum(VI) dioxo complexes of the type [MoO(2)ClL(X)] with potentially monoanionic phenolate ligands L(X) (L = 4,6-di-tert-butyl-2-{[(X)methylamino]methyl}-phenolate; L(OMe), where X = 2'-methoxyethyl; L(SEt), where X = 2'-ethylthioethyl; L(NEt2), where X = 2'-diethylaminoethyl; and L(NMe2), where…

Polyoxometalates: Synthesis and ApplicationsCarbon dioxide utilization in catalysisMetalloenzymes and iron-sulfur proteins

Optical waveguiding in bent-core liquid-crystal filaments

Jake Fontana、C. Bailey、W. Weißflog 等 5 位作者2009-09-29Physical Review E

We demonstrate optical waveguiding in recently discovered free-standing bent-core liquid-crystal filaments. The bent-core liquid-crystal molecules in air self-assemble into a cylindrical geometry that is "solidlike" along the radial direction of the filament and liquid in the axial direction of the filament. These fil…

Liquid Crystal Research AdvancementsAdvanced Materials and MechanicsPlant Reproductive Biology

Atomic resolution mapping of the excited-state electronic structure of Cu 2 O with time-resolved x-ray absorption spectroscopy

Patrick W. Hillyard、Satyanarayana V. N. T. Kuchibhatla、T. E. Glover 等 9 位作者2009-09-29Physical Review B

We have used time-resolved soft x-ray spectroscopy to investigate the electronic structure of optically excited cuprous oxide at the $\text{O}\text{ }K$ edge and the $\text{Cu}\text{ }{L}_{3}$ edge. The 400 nm optical excitation shifts the Cu and O absorptions to lower energy, but does not change the integrated x-ray…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectron and X-Ray Spectroscopy Techniques

Heat-capacity behaviour of hemimorphite, Zn4Si2O7(OH)2H2O, and its dehydrated analogue Zn4Si2O7(OH)2: a calorimetric and thermodynamic investigation of their phase transitions

Edgar Dachs、Charles A. Geiger2009-09-29European Journal of Mineralogy

The heat capacity, C(p), of hemimorphite, Zn(4)Si(2)O(7)(OH)(2)center dot H(2)O, was measured using relaxation calorimetry and DSC methods in the temperature range 5 to 464 K and that of dehydrated hemimorphite, Zn(4)Si(2)O(7)(OH)(2), from 5 to 764 K. The experimental C(p) data for hemimorphite show a prominent lambda…

Crystal Structures and PropertiesThermal and Kinetic AnalysisMineralogy and Gemology Studies

Mathematical modeling of solid oxide fuel cells at high fuel utilization based on diffusion equivalent circuit model

Cheng Bao、Yixiang Shi、Chen Li 等 5 位作者2009-09-29AIChE Journal

Abstract Mass transfer and electrochemical phenomena in the membrane electrode assembly (MEA) are the core components for modeling of solid‐oxide fuel cell (SOFC). The general MEA model is simply governed with the Stefan‐Maxwell equation for multicomponent gas diffusion, Ohm's law for the charge transfer and the curre…

Advancements in Solid Oxide Fuel CellsChemical Looping and Thermochemical ProcessesCatalysis and Oxidation Reactions

Thermal signatures of nanoscale inhomogeneities and ferroelectric order in[PbZn1/3Nb2/3O3]1−x[PbTiO3]x

Makoto Tachibana、Kenta Sasame、Hitoshi Kawaji 等 5 位作者2009-09-29Physical Review B

We present the results of thermal conductivity $(\ensuremath{\kappa})$ and heat-capacity $({C}_{p})$ measurements for the series of ${[{\text{PbZn}}_{1/3}{\text{Nb}}_{2/3}{\text{O}}_{3}]}_{1\ensuremath{-}x}{[{\text{PbTiO}}_{3}]}_{x}$ $(\text{PZN-}x\text{PT})$ single crystals with $0\ensuremath{\le}x\ensuremath{\le}1$.…

Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis

Case Depth and Static Capacity of Surface Induction-Hardened Rings

Junbiao Lai、Pascal Ovize、Hans Kuijpers 等 5 位作者2009-09-29Journal of ASTM International

Abstract Large-size slewing bearings are usually surface hardened by means of induction heating. The load-carrying capacity of the bearing is dependent on, among others, the depth of the hardened layer, i.e., case depth (CD). It is of crucial importance for bearing manufacturers to ensure that sufficient CD is produce…

Advanced machining processes and optimizationMetal and Thin Film MechanicsMetal Alloys Wear and Properties

In vitro hydrolytic degradation of centrifugally spun polyhydroxybutyrate–pectin composite fibres

L. John R. Foster、Brian J. Tighe2009-09-29Polymer International

Abstract BACKGROUND: Centrifugal spinning is a novel fibre‐forming process that readily permits the incorporation of additives while avoiding the thermal damage often associated with conventional melt spinning. Centrifugal spinning of a viscous solution of poly(3‐hydroxybutyrate) (PHB) mixed with pectin was used to fa…

Natural Fiber Reinforced Compositesbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Chemical Reactivity of Pd−Au Bimetallic Nanoclusters Grown via Amorphous Solid Water as Buffer Layer

Elad Gross、Inna Popov、Micha Asscher2009-09-29The Journal of Physical Chemistry C

Bimetallic Pd−Au nanoclusters were prepared on SiO 2 /Si(100) via amorphous solid water (ASW) as buffer layer. Selective growth pathways have led to segregated palladium and gold clusters or alloy bimetallic crystallites. Morphology and chemical composition were determined by AFM, SEM, and HR-TEM coupled to EDX analys…

Advanced Chemical Physics StudiesCatalytic Processes in Materials ScienceNanomaterials for catalytic reactions

Synthesis and characterization of Sr 3 Al 2 O 6 :Eu 2+ , Dy 3+ phosphors prepared by sol–gel–combustion processing

HUANG Ping、Cui Cai-E、Sen Wang2009-09-29Chinese Physics B

A type of red luminescent Sr 3 Al 2 O 6 :Eu 2+ , Dy 3+ phosphor powder is synthesised by sol–gel–combustion processing, with metal nitrates used as the source of metal ions and citric acid as a chelating agent of metal ions. By tracing the formation process of the sol–gel, it is found that it is necessary to reduce th…

Luminescence Properties of Advanced MaterialsMicrowave Dielectric Ceramics SynthesisNuclear materials and radiation effects

First-Principles Study on the Half-Metallicity of Half-Heusler Alloys: XYZ (X = Mn, Ni; Y = Cr, Mn; Z = As, Sb)

Guannan Li、Yingjiu Jin2009-09-29Chinese Physics Letters

The electronic structures, magnetism, and half-metallicity of half-Heusler alloys XYZ (X = Mn, Ni; Y = Cr, Mn; Z = As, Sb) are investigated by means of the full-potential linearized augmented plane wave method within the generalized gradient approximation. We consider three types of atomic ordering (i.e., α, β, and γ…

Rare-earth and actinide compoundsMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties

Crystal chemistry and nomenclature of the lovozerite group

Igor V. Pekov、Sergey V. Krivovichev、Andrey A. Zolotarev 等 6 位作者2009-09-29European Journal of Mineralogy

Abstract: The paper summarizes crystal–chemical data and describes the IMA-accepted nomenclature of lovozerite-group minerals (LGM). The lovozerite group includes nine zeolite-like cyclosilicates with the general formula A3B3C2MSi6O12O6x(OH)xnH2O,

Crystal Structures and PropertiesRadioactive element chemistry and processingIron-based superconductors research

Effect of impurities in high-symmetry lattice positions on the local density of states and conductivity of graphene

F. M. D. Pellegrino、G. G. N. Angilella、R. Pucci2009-09-29Physical Review B

Motivated by quantum chemistry calculations, showing that molecular adsorption in graphene takes place on preferential sites of the honeycomb lattice, we study the effect of an isolated impurity on the local electronic properties of a graphene monolayer, when the impurity is located on a sitelike, bondlike, or hollowl…

Advancements in Battery MaterialsGraphene research and applicationsQuantum and electron transport phenomena

Microstructure and Deformation Behavior of Polyethylene/Montmorillonite Nanocomposites with Strong Interfacial Interaction

Changyi Ren、Zhiyong Jiang、Xiaohua Du 等 5 位作者2009-09-29The Journal of Physical Chemistry B

Deformation behavior of polyethylene/modified montmorillonites with polymerizable surfactant (PE/P-MMT) nanocomposite with strong interfacial interaction was studied by means of morphology observation and X-ray scattering measurements. The orientation of PE chains was accompanied by the orientation of well-dispersed M…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer composites and self-healing

Quantum-Mechanical ab Initio Simulation of the Raman and IR Spectra of Fe3Al2Si3O12 Almandine

Anna Maria Ferrari、Loredana Valenzano、A. Meyer 等 5 位作者2009-09-29The Journal of Physical Chemistry A

The IR and Raman spectra of the Fe(3)Al(2)Si(3)O(12) almandine garnet were simulated using the periodic CRYSTAL code with an all-electron Gaussian-type basis set and the hybrid B3LYP functional. The wavenumbers of the 25 Raman-active modes (3 of A(1g), 8 of E(g), and 14 of F(2g) symmetry) and 34 F(1u) IR-active modes…

Glass properties and applicationsCrystal Structures and PropertiesMineralogy and Gemology Studies

Charge density waves enhance the electronic noise of manganites

C. Barone、Alice Galdi、Nathascia Lampis 等 9 位作者2009-09-29Physical Review B

The transport and noise properties of ${\text{Pr}}_{0.7}{\text{Ca}}_{0.3}{\text{MnO}}_{3}$ epitaxial thin films in the temperature range from room temperature to 160 K are reported. It is shown that both the broadband $1/f$ noise properties and the dependence of resistance on electric field are consistent with the ide…

Magnetic and transport properties of perovskites and related materialsOrganic and Molecular Conductors ResearchElectronic and Structural Properties of Oxides

Design of Antimicrobially Active Small Amphiphilic Peptide Dendrimers

Piotr Polcyn、Margarita Jurczak、Aleksandra Rajnisz 等 5 位作者2009-09-29Molecules

Novel polyfunctional small amphiphilic peptide dendrimers characterized by incorporation of a new core compounds - tris-amino acids or tetrakis-amino alcohols that originated from a series of basic amino acids - were efficiently synthesized. These new core elements yielded molecules with multiple branching and (+5)/(+…

RNA Interference and Gene DeliveryAntimicrobial Peptides and ActivitiesDendrimers and Hyperbranched Polymers

Preparation and Characterization of Microporous Layers on Titanium

Shin‐ichi Tanaka、Haruki Tobimatsu、Yuuki Maruyama 等 5 位作者2009-09-29ACS Applied Materials & Interfaces

Microporous layers on titanium (Ti) are formed by chemical treatment in highly concentrated alkaline media, and their properties and growth mechanism are examined using electrochemical techniques, in situ resistometry, scanning electron microscopy (SEM), grazing-incident X-ray diffraction (GIXRD), and glow discharge o…

Corrosion Behavior and InhibitionMetal and Thin Film MechanicsTitanium Alloys Microstructure and Properties

Characterization of Strain-Rate Sensitivity and Grain Boundary Structure in Nanocrystalline Gold-Copper Alloys

Luke O. Nyakiti、Alan F. Jankowski2009-09-29Metallurgical and Materials Transactions A

The power-law dependence of strength on strain rate provides a measure of the strain-rate sensitivity. In general, strength increases as grain size decreases from the microscale into the nanoscale regime for many cubic metals. The method of microscratch testing is used to measure microhardness in order to evaluate mat…

Microstructure and mechanical propertiesMetal and Thin Film MechanicsAdvanced materials and composites