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Molecular and Mesoscale Simulation Methods for Polymer Materials

Sharon C. Glotzer、Wolfgang Paul2002-07-28Annual Review of Materials Research

▪ Abstract Polymers offer a wide spectrum of possibilities for materials applications, in part because of the chemical complexity and variability of the constituent molecules, and in part because they can be blended together with other organic as well as inorganic components. The majority of applications of polymeric…

Material Dynamics and PropertiesRheology and Fluid Dynamics StudiesBlock Copolymer Self-Assembly

Denaturation of Collagen Via Heating: An Irreversible Rate Process

Nathan T. Wright、J. D. Humphrey2002-07-28Annual Review of Biomedical Engineering

Heating therapies are increasingly used in cardiology, dermatology, gynecology, neurosurgery, oncology, ophthalmology, orthopedics, and urology, among other medical specialties. This widespread use of heating is driven primarily by the availability of new technology, not by a detailed understanding of the biothermomec…

Cellular Mechanics and InteractionsCollagen: Extraction and CharacterizationInfrared Thermography in Medicine

Molecular basis of cold adaptation

Salvino D’Amico、Paule Claverie、Tony Collins 等 9 位作者2002-07-28Philosophical Transactions of the Royal Society B Biological Sciences

Cold-adapted, or psychrophilic, organisms are able to thrive at low temperatures in permanently cold environments, which in fact characterize the greatest proportion of our planet. Psychrophiles include both prokaryotic and eukaryotic organisms and thus represent a significant proportion of the living world. These org…

Protein Structure and DynamicsEnzyme Catalysis and ImmobilizationEnzyme Structure and Function

Synthesis and properties of Cu2O quantum particles

Kavita Borgohain、Norio Murase、Shailaja Mahamuni2002-07-28OpenAlex

Cuprous oxide quantum particles as small as 2 nm (comparable to the Bohr exciton radius) were synthesized using an electrochemical route. Quantum confinement effects are evident from a blueshift in the optical absorption. The optical absorption spectra of Cu2O nanoparticles of different sizes are discussed. Structural…

ZnO doping and propertiesCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides

Mechanical and Electrical Properties of Nanotubes

J. Bernholc、Donald W. Brenner、Marco Buongiorno Nardelli 等 5 位作者2002-07-28OpenAlex

▪ Abstract We review the recent progress in our understanding of the mechanical and electrical properties of carbon nanotubes, emphasizing the theoretical aspects. Nanotubes are the strongest materials known, but the ultimate limits of their strength have yet to be reached experimentally. Modeling of nanotube-reinforc…

Carbon Nanotubes in CompositesGraphene research and applicationsForce Microscopy Techniques and Applications

Piezoelectric and strain properties of Ba(Ti1−xZrx)O3 ceramics

Zhi Yu、Chen Ang、Ruyan Guo 等 4 位作者2002-07-28OpenAlex

The polarization and strain behavior of Ba(Ti1−xZrx)O3 (x=0–0.3) ceramics are studied. The unipolar strain levels of ∼0.18% at 40 kV/cm and of ∼0.25% at ∼120 kV/cm with small hysteresis were obtained for the ceramics with 0.03⩽x⩽0.08. The remnant polarization is ∼13–18 μC/cm2 for 0.03⩽x⩽0.08 and below 2 μC/cm2 for 0.1…

Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis

Phase-Field Simulation of Solidification

W. J. Boettinger、James A. Warren、C. Beckermann 等 4 位作者2002-07-28OpenAlex

▪ Abstract An overview of the phase-field method for modeling solidification is presented, together with several example results. Using a phase-field variable and a corresponding governing equation to describe the state (solid or liquid) in a material as a function of position and time, the diffusion equations for hea…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenaMetallurgy and Material Forming

Phase-Field Models for Microstructure Evolution

Long‐Qing Chen2002-07-28OpenAlex

▪ Abstract The phase-field method has recently emerged as a powerful computational approach to modeling and predicting mesoscale morphological and microstructure evolution in materials. It describes a microstructure using a set of conserved and nonconserved field variables that are continuous across the interfacial re…

Aluminum Alloy Microstructure PropertiesSolidification and crystal growth phenomenananoparticles nucleation surface interactions

Structure and Morphology of Poly(diethyl trimethylene-1,1-dicarboxylate) Crystals

Pawel Sikorski、E. D. T. Atkins、Lawino Kagumba 等 4 位作者2002-07-27Macromolecules

Poly(diethyl trimethylene-1,1-dicarboxylate) oligomers with an average degree of polymerization (DP) of 20 and a polydispersity of 1.13 have been isothermally crystallized at 30 °C from benzene and also crystallized from the melt ( T m = 176 °C). The crystals were investigated using electron microscopy (imaging and di…

Polymer crystallization and propertiesPolymer Nanocomposites and Propertiesbiodegradable polymer synthesis and properties

Modification of the Hydroxyl Surface of Kaolinite through Mechanochemical Treatment Followed by Intercalation with Potassium Acetate

Ray L. Frost、János Kristóf、Éva Makó 等 4 位作者2002-07-27Langmuir

Changes in the hydroxyl surfaces of kaolinite have been studied through mechanochemical activation followed by intercalation with potassium acetate using a combination of X-ray diffraction and diffuse reflectance Fourier transform infrared (DRIFT) spectroscopy. X-ray diffraction shows that in the absence of air the in…

Clay minerals and soil interactionsIron oxide chemistry and applicationsMineralogy and Gemology Studies

Metastability and Multistability: Gelation and Liquid Crystal Formation in Suspensions of Colloidal Rods

M. P. B. van Bruggen、H. N. W. Lekkerkerker2002-07-27Langmuir

The competition between gelation and isotropic−nematic (I−N) phase separation in dispersions of moderately attractive sterically stabilized boehmite (AlOOH) rods is studied. Two different scenarios are observed. In one system I−N phase separation proceeds by slow sedimentation (syneresis) of a gel resulting in a weakl…

Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesSurfactants and Colloidal Systems

Dissociation Energies and Charge Distribution of the Co−NO Bond for Nitrosyl-α,β,γ,δ-tetraphenylporphinatocobalt(II) and Nitrosyl-α,β,γ,δ-tetraphenylporphinatocobalt(III) in Benzonitrile Solution

Xiao‐Qing Zhu、Qian Li、Weifang Hao 等 4 位作者2002-07-27Journal of the American Chemical Society

The first two series of Co-NO bond dissociation enthalpies in benzonitrile solution were determined for 12 cobalt(II) nitrosyl porphyrins and for 12 cobalt(III) nitrosyl porphyrins by titration calorimetry with suitable thermodynamic cycles. The results display that the energy scales of the heterolytic Co(III)-NO bond…

Nitric Oxide and Endothelin EffectsPorphyrin and Phthalocyanine ChemistryHemoglobin structure and function

Functionalized Polylactides: Preparation and Characterization of [l]-Lactide-co-Pentofuranose

Rajesh Kumar、Wei Gao、Richard A. Gross2002-07-27Macromolecules

The new monomer 1,2- O -isopropylidene-3-benzyloxy-pentofuranose-4,4‘-cyclic carbonate (IPPTC) was prepared. IPPTC has both a ketal-protected diol and a benzyl ether-protected hydroxyl. Thus, these two sets of hydroxyl groups can be independently deprotected to give IPPTC repeat units with one, two, or three free hydr…

Enzyme Catalysis and Immobilizationbiodegradable polymer synthesis and propertiesElectrospun Nanofibers in Biomedical Applications

Formation of Tethered Nanolayers: Three Regimes of Kinetics

Lynn S. Penn、Heqing Huang、Milind Sindkhedkar 等 8 位作者2002-07-27Macromolecules

An investigation of the kinetics of tethering of amine functional-ended polystyrene from good solvent to the surface of a solid substrate showed three distinct regimes of kinetics rather than the two predicted by theory. The first regime was fast and appeared to be controlled by diffusion through the solvent, as predi…

Polymer Surface Interaction StudiesMolecular Junctions and NanostructuresSurface Chemistry and Catalysis

Aggregated Structures of Rhodamine 6G Intercalated in a Fluor-Taeniolite Thin Film

Ryo Sasai、Taketoshi Fujita、Nobuo Iyi 等 5 位作者2002-07-27Langmuir

To clarify the structure and species of rhodamine 6G (R6G) aggregates formed in taeniolite (TN) interlayer spaces, the oriented thin films of R6G−TN hybrid materials were prepared and analyzed. XRD investigations of these films indicated that the R6G molecules were intercalated in the TN interlayers and that the TN la…

Magnetism in coordination complexesPorphyrin and Phthalocyanine ChemistryLuminescence and Fluorescent Materials

Fabrication of a Novel Type of Metallized Colloids and Hollow Capsules

A. A. Antipov、Gleb B. Sukhorukov、Yuri Fedutik 等 6 位作者2002-07-27Langmuir

A novel type of micrometer-sized entity containing silver was introduced. Three different approaches were employed to modify the colloidal particles with silver. According to the first technique, the particles were first coated with layers of poly(styrenesulfonate) and silver ions followed by the reduction of silver b…

Gold and Silver Nanoparticles Synthesis and ApplicationsPolymer Surface Interaction StudiesNanomaterials for catalytic reactions

Self-Assembly of Novel Dye Molecules and [Cd8(SPh)12]4+ Cubic Clusters into Three-Dimensional Photoluminescent Superlattice

Nanfeng Zheng、Xianhui Bu、Pingyun Feng2002-07-27Journal of the American Chemical Society

The use of organic multidentate ligands to organize inorganic species is an effective method to prepare porous solids with tunable pore sizes. However, thus far, inorganic building units are generally limited to individual metal ions (e.g., Zn2+) or their oxide clusters (e.g., Zn4O6+). To expand applications of porous…

Metal-Organic Frameworks: Synthesis and ApplicationsLuminescence and Fluorescent MaterialsNanocluster Synthesis and Applications

Bis(PheOH) Maleic Acid Amide−Fumaric Acid Amide Photoizomerization Induces Microsphere-to-Gel Fiber Morphological Transition: The Photoinduced Gelation System

Leo Frkanec、Milan Jokić、Janja Makarević 等 5 位作者2002-07-27Journal of the American Chemical Society

The photoinduced gelation system based on 1 (non-gelling) to 2 (gelling) molecular photoisomerization in water results by microspheres (1) to gel fibers (2) transformation at the supramolecular level.

Luminescence and Fluorescent MaterialsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applications

Amplified Optical Nonlinearity in a Self-Assembled Double-Strand Conjugated Porphyrin Polymer Ladder

Thomas E. O. Screen、J.R.G. Thorne、R.G. Denning 等 5 位作者2002-07-27Journal of the American Chemical Society

Addition of 4,4'-bipyridyl to a solution of a meso-meso butadiyne-linked conjugated zinc porphyrin polymer in chloroform results in self-assembly of a double-strand ladder complex. Excess ligand causes this duplex to dissociate into single strands. These binding processes were elucidated by near-IR and NMR titrations,…

Porphyrin and Phthalocyanine ChemistryPhotochromic and Fluorescence ChemistryNonlinear Optical Materials Studies

All Gelatin Networks: 2. The Master Curve for Elasticity

Christine Joly‐Duhamel、Dominique Hellio、Armand Ajdari 等 4 位作者2002-07-27Langmuir

The rheological properties of gelatin gels from various sources (fish and mammalian) were followed in the course of the sol−gel transition and during gel maturation, by performing dynamic measurements under very small deformations. Different concentrations and molecular weights were investigated. The solvent was mainl…

Proteins in Food SystemsMaterial Dynamics and PropertiesPolysaccharides Composition and Applications