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Computing Electronic Spin Relaxation for Gd3+‐Based Contrast Agents – Practical Implementation

Pascal H. Fries2012-02-24European Journal of Inorganic Chemistry

Abstract In a molecular frame rigidly bound to the contrast agent, the instantaneous zero‐field splitting (ZFS) Hamiltonian acting on the Gd 3+ electronic spin, S , has a constant mean value, named static ZFS (Hamiltonian). Expressed in the laboratory frame, the static ZFS has a random variation with time, which stems…

Lanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Field-induced breakup of emulsion droplets stabilized by colloidal particles

E. Grace Kim、Kevin Stratford、Paul Clegg 等 4 位作者2012-02-24Physical Review E

We simulate the response of a particle-stabilized emulsion droplet in an external force field, such as gravity, acting equally on all N particles. We show that the field strength required for breakup (at fixed initial area fraction) decreases markedly with droplet size, because the forces act cumulatively, not individ…

Proteins in Food SystemsPickering emulsions and particle stabilizationParticle Dynamics in Fluid Flows

Spark Plasma Sintering and Hot Pressing of Hetero‐Doped LaNbO 4

Guttorm E. Syvertsen、Claude Estournès、Harald Fjeld 等 6 位作者2012-02-24Journal of the American Ceramic Society

LaNbO 4 / La 3 NbO 7 and LaNbO 4 / LaNb 3 O 9 cer‐cer composites were prepared by impregnating Ca ‐doped LaNbO 4 powder, synthesized by spray pyrolysis, with La ‐ or Nb ‐precursor solutions. The sintering of the calcined powders was investigated by dilatometry, and dense composites were prepared by conventional sinter…

Ferroelectric and Piezoelectric MaterialsAdvancements in Solid Oxide Fuel CellsElectronic and Structural Properties of Oxides

Synthesis, Characterization, and AC Conductivity of Polyaniline/Selenium Composites

Ersel Özkazanç、Sibel Zor、Hatice Özkazanç2012-02-24Journal of Macromolecular Science Part B

This study reports structural and thermal properties and temperature-dependent alternating current (AC) conductivity of polyaniline/selenium (PANI/Se) composites in emeraldine salt form prepared by a chemical polymerization method. Fourier transform infrared spectroscopy showed that the doping process significantly af…

Electrochemical sensors and biosensorsConducting polymers and applicationsElectrochemical Analysis and Applications

Synthesis, electromechanical characterization, and applications of graphene nanostructures

Traian Dumitrică2012-02-24Journal of Nanophotonics

The emerging field of graphene brings together scientists and engineers as the discovered fundamental properties and effects encountered in this new material can be rapidly exploited for practical applications. There is potential for a two-dimensional graphene-based technology and recent works have already demonstrate…

Carbon Nanotubes in CompositesGraphene research and applicationsAdvanced Memory and Neural Computing

Schottky barrier characteristics and internal gain mechanism of TiO2 UV detectors

Haifeng Zhang、Min Zhang、Caihui Feng 等 7 位作者2012-02-24Applied Optics

High-responsivity metal-semiconductor-metal TiO(2) UV photodetectors with Ni and Au electrodes were fabricated identically. Their Schottky barrier heights and photocurrent gain mechanism were studied. The effective barrier height Φ and ideality factor n were evaluated according to the thermionic emission theory. The r…

Nanowire Synthesis and ApplicationsSemiconductor materials and interfacesGa2O3 and related materials

Swift heavy ion-induced effects in Ce-doped nickel ferrite nanoparticles

Gagan Dixit、Jitendra Pal Singh、R. C. Srivastava 等 5 位作者2012-02-24Radiation effects and defects in solids

Swift heavy ions of various energies are being used for material modifications. The induced modifications depend on the kind of defects produced during interaction of ions with the target material. In the present work, irradiation of 200 MeV Ag beam-induced effects in NiFe2O4 and NiCe0.04Fe1.96O4 nanoparticles are stu…

Magnetic Properties and Synthesis of FerritesX-ray Spectroscopy and Fluorescence AnalysisIon-surface interactions and analysis

Novel Intramolecular Photocyclization of α-Arylthiophene Derivatives

Noriyoshi Arai、Kōichiro Tanaka、Takeshi Ohkuma2012-02-24Organic Letters

Photoirradiation of α-arylthiophene derivatives linked with an alkene moiety through a three-atom spacer gave unprecedented cyclobutene-fused perhydrothiapentalene-type compounds in high yields, but neither [2 + 2] nor [4 + 2] cycloaddition products. The reaction afforded a single diastereomer in many cases. The chemi…

Radical Photochemical ReactionsPhotochromic and Fluorescence ChemistryOrganic Chemistry Cycloaddition Reactions

SILICA-RICH FILLER FOR THE REINFORCEMENT IN NATURAL RUBBER

Kanoktip Boonkerd、Saowaroj Chuayjuljit、Dalip Abdulraman 等 4 位作者2012-02-24Rubber Chemistry and Technology

Abstract The aim of the study was to determine the reinforcing efficacy of a silica-rich filler, pottery stone (PS), in natural rubber (NR). The effects of amount and particle size of PS on curing and mechanical properties of the NR compounds were determined. The PS was first divided into four groups. Two of these wer…

Polymer Nanocomposites and PropertiesNatural Fiber Reinforced CompositesInnovative concrete reinforcement materials

Synthesis, structure and electric properties of Pb(Yb1/2Nb1/2)O3–Pb(Mg1/3Nb2/3)O3–PbTiO3 ternary ceramics

Chao He、Zujian Wang、Xiuzhi Li 等 7 位作者2012-02-24Journal of Physics D Applied Physics

Abstract The ternary ceramics of Pb(Yb 1/2 Nb 1/2 )O 3 –Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 (PYMNT) solid solution system is prepared by a two-step synthetic process. Its structure and electrical properties are studied. All the obtained ceramics have pure perovskite structure. It is noted that the morphotropic phase bounda…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

The Enolization Chemistry of a Thioester-Dependent Racemase: The 1.4 Å Crystal Structure of a Reaction Intermediate Complex Characterized by Detailed QM/MM Calculations

Satyan Sharma、Prasenjit Bhaumik、Werner Schmitz 等 8 位作者2012-02-24The Journal of Physical Chemistry B

In the active site of the bacterial α-methylacyl-CoA racemase of Mycobacterium tuberculosis (MCR), the chirality of the 2-methyl branched C2-atom is interconverted between (S) and (R) isomers. Protein crystallographic data and quantum mechanics/molecular mechanics (QM/MM) computational approaches show that this interc…

Protein Structure and DynamicsEnzyme Structure and FunctionAmino Acid Enzymes and Metabolism

On the structural integrity of the spinel block in the β"-alumina structure

Dunbar P. Birnie2012-02-24Acta Crystallographica Section B Structural Science

The β''-alumina structure is examined in detail and an analysis is presented of the three-dimensional integrity of the lattice. The layer structure that is responsible for the very high sodium conduction rate is the specific focus. Rigid layers that are derived from the cubic spinel structure are interleaved by more o…

Ferroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisThermal Expansion and Ionic Conductivity

ZINC OXIDE VERSUS MAGNESIUM OXIDE REVISITED. PART 2

Manuel Guzmán、Berta Vega、Núria Agulló 等 4 位作者2012-02-24Rubber Chemistry and Technology

Abstract Zinc oxide is a widely used compound in the rubber industry due to the excellent properties that it shows as an activator and, consequently, its role in the mechanism of accelerated sulfur vulcanization has been extensively studied. Due to the increased concern about its environmental effects, several researc…

Polymer Nanocomposites and PropertiesLignin and Wood ChemistryAdsorption, diffusion, and thermodynamic properties of materials

Enhanced coercivity of half-metallic La0.7Sr0.3MnO3 by Ru substitution under in-plane uniaxial strain

Kei Shigematsu、Akira Chikamatsu、Yasushi Hirose 等 5 位作者2012-02-24Journal of Applied Physics

In this paper, La0.7Sr0.3Mn1-yRuyO3 (y = 0, 0.05, and 0.1) (001) epitaxial thin films were grown on NdGaO3 (110) substrates with in-plane uniaxial strain, and the coercivity (Hc) and in-plane magnetic anisotropy were evaluated. The coercivity of the epitaxial film grown on the NdGaO3 substrate, in which the easy and h…

Magnetic and transport properties of perovskites and related materialsMagnetic Properties of AlloysHeusler alloys: electronic and magnetic properties

Characterization of Carbon Black Particles Mixing in Polymeric Matrix by Direct Methods

Zhao-Hui Jiang、Jian Jin、Changfa Xiao 等 5 位作者2012-02-24Journal of Testing and Evaluation

Abstract Single-screw extruders together with a painstakingly self-made dynamic mixer were applied to mix carbon black (CB) in polymeric matrix. Moreover, the master batch dilution technique was also used. The mixing state of CB was investigated by direct methods including transmission electron microscopy (TEM), scann…

Carbon Nanotubes in CompositesPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation

Up-Conversion and Migration by Energy Transfer: A Mixed Model for Doped Luminescent Solids

Franklin Ferraro、C. Z. Hadad2012-02-24The Journal of Physical Chemistry C

From a fundamental and technological perspective energy transfer up-conversion in luminescent solids is a very important phenomenon that requires different viewpoints for understanding and modeling. The efficiency of this process increases in the presence of energy migration. In this work a model to study the energy m…

Luminescence Properties of Advanced MaterialsGlass properties and applicationsLuminescence and Fluorescent Materials

The effect of absorbed moisture on dielectric behavior of silica (micro)‐unsaturated polyester composites

Ram A. Sharma、Dawid D’Melo、Lokesh Chaudhari 等 6 位作者2012-02-24Journal of Applied Polymer Science

Abstract It is well known that most of the dielectric failures occur in high voltage equipment due to absorption of moisture by the insulating material from the environment. Hence, the effect of absorbed moisture on electrical and mechanical properties of silica‐unsaturated polyester resin (UPR) composites has been ev…

Polymer Nanocomposites and PropertiesHigh voltage insulation and dielectric phenomenaNatural Fiber Reinforced Composites

Automatic presser‐foot force control for industrial sewing machines

Hélder Carvalho、Luís F. Silva、A. M. Rocha 等 4 位作者2012-02-24International Journal of Clothing Science and Technology

Purpose The purpose of this paper is to develop and test control methods for real‐time automatic presser‐foot force control in industrial sewing machines. In this work, a closed‐loop controller that controls presser‐foot maximum vertical displacement is presented and compared to existing solutions that adjust force de…

Textile materials and evaluationsErgonomics and Musculoskeletal Disorders

Growth of Horizontally Aligned Single-Walled Carbon Nanotubes on the Singular R-Plane (10–11) of Quartz

Shohei Chiashi、Hiroto Okabe、Taiki Inoue 等 8 位作者2012-02-24The Journal of Physical Chemistry C

We used both R-cut and R-face crystal quartz substrates for the efficient growth of horizontally aligned single-walled carbon nanotubes (SWNTs). The R-plane (10–11) is one of the low-index crystallographic planes of crystal quartz. The surface cut from a synthetic quartz block parallel to the R-plane was used as R-cut…

Carbon Nanotubes in CompositesGraphene research and applicationsPhotonic Crystals and Applications

Synthesis, structure, and catalytic activity of Keggin-type polyoxometalate coordinated Cu(I): {[Cu(py)2]4[SiW12O40]}, via hydrothermal decarboxylation

Rui Yang、Shuxia Liu、Qun Tang 等 5 位作者2012-02-24Journal of Coordination Chemistry

A Keggin-type polyoxometalate [SiW12O40]4− supported transition metal complex, {[Cu(py)2]4[SiW12O40]} (py = pyridine), has been synthesized by hydrothermal decarboxylation and characterized by elemental analyses, IR spectra, thermal stability analyses, and single-crystal X-ray diffraction. The compound is a 1-D chain…

Metal-Organic Frameworks: Synthesis and ApplicationsPolyoxometalates: Synthesis and ApplicationsNanocluster Synthesis and Applications