Materials Literature
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Nonspecific protein adsorption generally occurs at the biomaterial-tissue interface and usually has adverse consequences. Thus, surfaces that are protein-resistant are eagerly sought with the expectation that these materials will exhibit improved biocompatibility. Surfaces modified with end-tethered poly(ethylene oxid…
We discuss the properties of semiconducting bulk ZnO when substituted with the magnetic transition metal ions Mn and Co, with substituent fraction ranging from $x=0.02$ to $x=0.15$. The magnetic properties were measured as a function of magnetic field and temperature and we find no evidence for magnetic ordering in th…
Electron and thermal transport properties, i.e., electrical conductivity, carrier concentration, Hall mobility, Seebeck coefficient, thermal conductivity, of heavily La- or Nb-doped SrTiO3 (STO) bulk single crystals were measured at high temperatures, (300–1050K) to clarify the influence of doping upon the thermoelect…
This paper presents theory and simulation of flow-induced structures in liquid crystalline materials, useful to the creation of synthetic material structures and to the biomimetics of natural fibers. A multiscale theory and simulation of hydrodynamic texture formation is presented; it provides fundamental principles f…
We report an extensive set of results for the radial breathing modes (RBM) of infinite and finite length single walled carbon nanotubes using the second generation reactive empirical bond order potential (REBO) developed by Brenner et al. As expected, the frequency, ν of the RBM is inversely proportional to the nanotu…
The characterization of the association of an alternating copolymer was performed using theoretical methods (quantum mechanics and molecular mechanics) and experimental methods (cryo-Transmission Electron Microscopy (cryo-TEM), neutron reflectivity and neutron scattering). The most stable conformation obtained for the…
In Sulfolobus acidocaldarius conjugation assays, recombinant frequency was relatively constant for marker separations from 1,154 bp down to about 50 bp and readily detectable at 10 bp. Three-factor crosses revealed little, if any, genetic linkage over distances of 500 to 600 bp, and large deletion mutants were good do…
First-principles molecular dynamics simulations are carried out to study the structures, dynamics, and electronic properties of liquid Al88Si12 in the temperature ranging from 898 to 1298 K. The temperature dependence of static structure factors, pair correlation functions, and electronic density-of-states are investi…
We report two distinct types of two-dimensionally periodic phases in different concentration regions of a binary system composed of the bent-core (BC) compound $1,3\text{-phenylene bis}[4\text{\ensuremath{-}}(3\text{\ensuremath{-}}\text{methylbenzoyloxy})]{4}^{\ensuremath{'}}\text{\ensuremath{-}}n\text{-dodecylbipheny…
We describe a novel approach to synthesize two-dimensional nanocrystalline TiS2 islands on Au111. Ti is deposited by physical vapor deposition at room temperature on AuS-covered Au111 surfaces. Subsequent annealing to temperatures between 670 K and 800 K leads to the formation of single-layer, triangular TiS2 islands.…
The adsorption of nitrous oxide, N2O, on a Rh110 surface has been characterized by using density-functional theory. N2O was found to bind to the surface in two alternative forms. The first, less stable form is tilted with the terminal N atom attached to the surface, while the second, more stable form lies horizontally…
Interior decorating: Polymerization of styrene sulfonate monomers on the inner surface of polyelectrolyte hollow capsules results in polymers having molecular weights an order of magnitude higher than those produced in solution. The shape of the capsules after polymerization can be manipulated by varying the styrene s…
A systematic study of oxygen adsorption, decomposition and diffusion on Rh111 and its dependence on coadsorbed oxygen molecules has been performed using density functional theory calculations. First, the bonding strength between metal surface and adsorbed oxygen molecules has been studied as a function of initial oxyg…
Abstract The process by which polymeric materials hydrolyze and disappear into their environments is often called erosion . Two types of erosion have been defined according to how the hydrolysis takes place. If hydrolysis occurs throughout the entire specimen at the same time, it is called bulk erosion . If the hydrol…
A new type of supramolecular polymer was prepared by ionic self-assembly (ISA) from two oppositely charged dyes; a perylenediimide and a copper-phthalocyanine derivative. Coulomb coupling stabilizes the whole structure, and a combination of charge-transfer interactions and discotic stacking facilitates the exclusive f…
A type of multiferroic polymer-based composite is presented which exhibits a giant magnetoelectric sensitivity. Such a multiferroic composite prepared via a simple low-temperature hot-molding technique for common polymer-based composites has a laminate structure with one lead-zirconate-titanate (PZT)/polyvinylidene-fl…
Confocal Raman spectral imaging results are presented for a metal-to-semiconductor intramolecular junction (IMJ) on an isolated carbon nanotube. Spectra observed at the junction are consistent with the symmetry lowering expected from the occurrence of pentagon-heptagon defects to produce the chirality shift. The IMJ t…
Adenylate kinases (AKs) play important roles in nucleotide metabolism in all organisms and in cellular energetics by means of phosphotransfer networks in eukaryotes. The crystal structure of a human AK named AK6 was determined by in-house sulfur single-wavelength anomalous dispersion phasing methods and refined to 2.0…
Carbon nanotube (CNT)-polymer composites, with potential applications in structural materials, optoelectronics, sensors, biocatalysis, and thermal and electromagnetic shielding are an important emerging area of nanotechnology. However, progress has been slow due to difficulties in dispersing CNTs into the polymer matr…
We have measured carrier mobility of regioregular poly(3-hexylthiophene) films by both field-effect and electrochemical doping on identical devices, which allowed us a direct comparison between the two doping processes. The carrier mobility of electrochemical doping at low doping levels was lower than that of field-ef…