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Molecular dynamics simulations of the shape-memory behaviour of polyisoprene

Julie Diani、Ken Gall2007-07-27Smart Materials and Structures

Full-atomistic molecular dynamics simulations are used to study the shape-memory behaviour of a representative amorphous polymer. A virtual polyisoprene was constructed and subjected to uniaxial stretch and hydrostatic compression thermomechanical cycles. Uniaxial stretch loading results demonstrate that a temporary s…

Polymer composites and self-healingCalcium Carbonate Crystallization and InhibitionBuilding materials and conservation

Some Physical Characteristics of Microcrystalline Cellulose Obtained from Raw Cotton of <i>Cochlospermum planchonii</i>

F O Ohwoavworhua、Tiwalade A. Adelakun2007-07-27Tropical Journal of Pharmaceutical Research

Purpose: The microcrystalline cellulose is an important ingredient in pharmaceutical, food, cosmetic and other industries. This study aimed at evaluating the physical characteristics of microcrystalline cellulose (CP-MCC), obtained from the raw cotton of Cochlospermum planchonii. Methods: CP-MCC was obtained from the…

Advanced Cellulose Research StudiesPolysaccharides Composition and Applications

Conformationally Constrained, Stable, Triplet Ground State (S = 1) Nitroxide Diradicals. Antiferromagnetic Chains of S = 1 Diradicals

Andrzej Rajca、Masahiro Takahashi、Maren Pink 等 5 位作者2007-07-27Journal of the American Chemical Society

Nitroxide diradicals, in which nitroxides are annelated to m-phenylene forming tricyclic benzobisoxazine-like structures, have been synthesized and characterized by X-ray crystallography, magnetic resonance (EPR and 1H NMR) spectroscopy, as well as magnetic studies in solution and in solid state. For the octamethyl de…

Magnetism in coordination complexesLanthanide and Transition Metal ComplexesElectron Spin Resonance Studies

Polycaprolactone‐based shape memory segmented polyurethane fiber

Qinghao Meng、Jinlian Hu、Yong Zhu 等 5 位作者2007-07-27Journal of Applied Polymer Science

Abstract In this article, shape memory polyurethane fibers were prepared by wet spinning. The shape memory switching temperature was the melting temperature of soft segment polycaprolactone phase at 36.20°C. The fibers' mechanical properties, especially the shape memory properties, were explicitly characterized and co…

Conducting polymers and applicationsPolymer composites and self-healingMarine Sponges and Natural Products

Carbon nanomaterials in biological systems

Pu Chun Ke、Rui Qiao2007-07-27Journal of Physics Condensed Matter

This paper intends to reflect, from the biophysical viewpoint, our current understanding on interfacing nanomaterials, such as carbon nanotubes and fullerenes, with biological systems. Strategies for improving the solubility, and therefore, the bioavailability of nanomaterials in aqueous solutions are summarized. In p…

Carbon Nanotubes in CompositesNanoparticles: synthesis and applicationsNanotechnology research and applications

Mechanical approach to aging and wrinkling of human facial skin based on the multistage buckling theory

Osamu Kuwazuru、Jariyaporn Saothong、Nobuhiro YOSHIKAWA2007-07-27Medical Engineering & Physics

A wrinkle formation mechanism with cutaneous aging is addressed through a mechanical calculation of linear buckling. Skin is divided into five mechanically distinct layers in this study. In general, the outer layer is stiffer than the inner layer, so buckling occurs in the outer layer against the uniform compression c…

Textile materials and evaluationsAdvanced Materials and MechanicsStructural Analysis and Optimization

Photophysics of meso-β Doubly Linked Ni(II) Porphyrin Arrays: Large Two-Photon Absorption Cross-Section and Fast Energy Relaxation Dynamics

Min-Chul Yoon、Su Bum Noh、Akihiko Tsuda 等 6 位作者2007-07-27Journal of the American Chemical Society

Two-photon absorption (TPA) properties and energy relaxation dynamics of meso- β doubly linked Ni(II) porphyrin arrays ( DLNi n, n = 2−5) in CHCl 3 have been investigated. DLNi n exhibits near-IR-extended absorption bands up to 1000 nm and enlarged TPA cross-section values without any one-photon contribution as the nu…

Porphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent MaterialsNonlinear Optical Materials Studies

Magnetic heating by cobalt ferrite nanoparticles

Miroslav Veverka、Pavel Veverka、Ondřej Kaman 等 12 位作者2007-07-27Nanotechnology

In the quest for suitable materials for hyperthermia we explored the preparation and properties of nanoparticles of Co ferrite. The material was produced by coprecipitation from water solution of Co and Fe chlorides and afterwards annealed at 400, 600 and 800 °C. The resulting particles were characterized by XRD, TEM,…

Magnetic properties of thin filmsMultiferroics and related materialsMagnetic Properties and Synthesis of Ferrites

Roles of inter- and intramolecular vibrations and band-hopping crossover in the charge transport in naphthalene crystal

L. J. Wang、Qian Peng、Qikai Li 等 4 位作者2007-07-27The Journal of Chemical Physics

We calculate the hole and electron mobilities in naphthalene crystal from 10 to 300 K within the framework of the Holstein-Peierls model coupled with first-principles density-functional-theory-projected tight-binding band structures. All the electron-phonon coupling constants, including both local and nonlocal parts f…

Organic Electronics and PhotovoltaicsNonlinear Optical Materials ResearchOrganic and Molecular Conductors Research

Measuring Location, Size, Distribution, and Loading of NiO Crystallites in Individual SBA-15 Pores by Electron Tomography

Heiner Friedrich、Jelle R. A. Sietsma、Petra E. de Jongh 等 5 位作者2007-07-27Journal of the American Chemical Society

By the combination of electron tomography with image segmentation, the properties of 299 NiO crystallites contained in 6 SBA-15 pores were studied. A statistical analysis of the particle size showed that crystallites between 2 and 6 nm were present with a distribution maximum at 3 and 4 nm, for the number-weighted and…

Mesoporous Materials and CatalysisTransition Metal Oxide NanomaterialsCatalysis and Oxidation Reactions

An Escherichia coli undecaprenyl-pyrophosphate phosphatase implicated in undecaprenyl phosphate recycling

Laura D. Tatar、Cristina L. Marolda、Andrew N. Polischuk 等 5 位作者2007-07-27Microbiology

Undecaprenyl phosphate (Und-P) is a universal lipid carrier of glycan biosynthetic intermediates for carbohydrate polymers that are exported to the bacterial cell envelope. Und-P arises from the dephosphorylation of undecaprenyl pyrophosphate (Und-PP) molecules produced by de novo synthesis and also from the recycling…

Microbial Metabolic Engineering and BioproductionEnzyme Structure and FunctionBiochemical and Molecular Research

A comparison of dispersing media for various engineered carbon nanoparticles

Mary Buford、Raymond F. Hamilton、Andrij Holian2007-07-27Particle and Fibre Toxicology

BACKGROUND: With the increased manufacture and use of carbon nanoparticles (CNP) there has been increasing concern about the potential toxicity of fugitive CNP in the workplace and ambient environment. To address this matter a number of investigators have conducted in vitro and in vivo toxicity assessments. However, a…

Nanoparticles: synthesis and applicationsInhalation and Respiratory Drug DeliveryGraphene and Nanomaterials Applications

Ab Initiothermodynamic and elastic properties of alkaline-earth metals and their hydrides

Louis G. Hector、J. F. Herbst、W. Wolf 等 5 位作者2007-07-27Physical Review B

A systematic investigation of the alkaline earth hydrides $\mathrm{Be}{\mathrm{H}}_{2}$, $\mathrm{Mg}{\mathrm{H}}_{2}$, $\mathrm{Ca}{\mathrm{H}}_{2}$, $\mathrm{Sr}{\mathrm{H}}_{2}$, $\mathrm{Ba}{\mathrm{H}}_{2}$, the corresponding deuterides, and their antecedent metals is reported. We calculate lattice parameters, el…

Advanced Chemical Physics StudiesHydrogen Storage and MaterialsInorganic Fluorides and Related Compounds

Salinity-Dependent Switching of Osmolyte Strategies in a Moderately Halophilic Bacterium: Glutamate Induces Proline Biosynthesis in Halobacillus halophilus

Stephan H. Saum、Volker Müller2007-07-27Journal of Bacteriology

The moderately halophilic bacterium Halobacillus halophilus copes with the salinity in its environment by the production of compatible solutes. At intermediate salinities of around 1 M NaCl, cells produce glutamate and glutamine in a chloride-dependent manner (S. H. Saum, J. F. Sydow, P. Palm, F. Pfeiffer, D. Oesterhe…

Genomics and Phylogenetic StudiesBacterial Genetics and BiotechnologyEnzyme Structure and Function

Effect of dronedarone on renal function in healthy subjects

Yvonne Tschuppert、Thierry Buclin、Laura E. Rothuizen 等 7 位作者2007-07-27British Journal of Clinical Pharmacology

What is already known about this subject • Creatinine clearance (CL) is used to assess glomerular filtration rate (GFR). However, it is known to slightly overestimate the true GFR, due to renal tubular secretion of creatinine. • During phase I‐III clinical trials, a 10–15% increase in serum creatinine has been observe…

Chronic Kidney Disease and DiabetesAcute Kidney Injury ResearchLanthanide and Transition Metal Complexes

Structural Basis of Substrate-binding Specificity of Human Arylamine N-Acetyltransferases

Hong Wu、Ludmila Dombrovsky、W. Tempel 等 8 位作者2007-07-27Journal of Biological Chemistry

The human arylamine N-acetyltransferases NAT1 and NAT2 play an important role in the biotransformation of a plethora of aromatic amine and hydrazine drugs. They are also able to participate in the bioactivation of several known carcinogens. Each of these enzymes is genetically variable in human populations, and polymo…

Protein Structure and DynamicsMicrobial Metabolic Engineering and BioproductionEnzyme Structure and Function

On the Graphitization Nature of Oxides for the Formation of Carbon Nanostructures

M. H. Rümmeli、Christian Kramberger、A. Grüneis 等 7 位作者2007-07-27Chemistry of Materials

The demonstrated graphitization ability of oxides show that the simplistic view of the support playing a catalytically passive role in carbon nanotube synthesis can no longer be taken for granted. The proposed mechanisms suggest a single growth mechanism for both primary soot particles and carbon nanotubes synthesized…

Carbon Nanotubes in CompositesCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions

Osteoblastic Phenotype Expression of MC3T3-E1 Cultured on Electrospun Polycaprolactone Fiber Mats Filled with Hydroxyapatite Nanoparticles

Patcharaporn Wutticharoenmongkol、Prasit Pavasant、Pitt Supaphol2007-07-27Biomacromolecules

Electrospun (e-spun) fiber mats of polycaprolactone (PCL; Mn = 80 000 g mol-1) with or without the presence of hydroxyapatite (HAp) nanoparticles (at 1% w/v based on the volume of the PCL solution) were successfully fabricated. The potential for use of these e-spun fiber mats as bone scaffolds was assessed by mouse ca…

Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsTissue Engineering and Regenerative Medicine

Theory of optical scattering by carbon nanotubes

Said Mikki、Ahmed A. Kishk2007-07-27Microwave and Optical Technology Letters

Abstract Here, a theory of optical scattering by single‐wall carbon nanotube using modal expansion of the scattered and transmitted fields is developed. The effective‐boundary condition, derived previously using accurate quantum‐mechanical one‐electron tight‐biding approach, is employed to obtain the unknown coefficie…

Carbon Nanotubes in CompositesMechanical and Optical ResonatorsThermal Radiation and Cooling Technologies

Synthesis and Characterization of Ag−Hollandite Nanofibers and Its Catalytic Application in Ethanol Oxidation

Junli Chen、Xingfu Tang、Junlong Liu 等 7 位作者2007-07-27Chemistry of Materials

Ag−hollandite nanofibers were synthesized through a simple hydrothermal process by oxidizing Mn(NO 3 ) 2 with AgMnO 4 in aqueous solution. The temperature was found to play an essential role in determining both the crystalline structure and the morphology of the Ag−hollandite materials, whereas the AgMnO 4 /Mn(NO 3 )…

Supercapacitor Materials and FabricationCatalytic Processes in Materials ScienceCatalysis and Oxidation Reactions