Materials Literature
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Abstract Structurally robust block copolymer templates with feature sizes of approximately 10 nm were prepared from functionalized poly(methyl methacrylate)‐ b ‐polystyrene block copolymers. By the inclusion of benzocyclobutene crosslinking groups in the polystyrene block, the covalent stabilization of thin films to b…
Electron motion in a $(n,1)$ carbon nanotube is shown to correspond to a de Broglie wave propagating along a helical line on the nanotube wall. This helical motion leads to periodicity of the electron potential energy in the presence of an electric field normal to the nanotube axis. The period of this potential is pro…
One of the most fundamental questions in the research field of undercooled melts is concerned with the structural short-range order of melts, because the short-range order decisively influences the physical properties and the solidification behaviour of undercooled liquids. Following the pioneering work of Frank in 19…
The defect accumulation mechanism of amorphization has been studied for the La2Zr2O7 pyrochlore by means of classical molecular dynamic simulations. Present calculations show that the accumulation of cation Frenkel pairs is the main driving parameter for the amorphization process, while the oxygen atoms simply rearran…
Cobalt oxide in the wurtzite modification has been prepared by a nonaqueous solution route and its structure determined using neutron and X-ray powder diffraction. SQUID magnetization measurements and low-temperature neutron diffraction do not show evidence for long range magnetic order, perhaps reflecting magnetic fr…
Molecular architectures built of inorganic cyanometalate building blocks provide variegated host structures with several organic guest molecules. The strategies to derive novel structures are presented briefly. The formation of a charge-transfer (CT) complex as the guest inside the cavity and the photochemistry of the…
A metal-boron mixed cluster LiB(6) (-) was produced and characterized by photoelectron spectroscopy and ab initio calculations. A number of electronic transitions were observed and used to compare with theoretical calculations. An extensive search for the global minimum of LiB(6) (-) was carried out via an ab initio g…
Thrombus formation and eventual intimal hyperplasia are the leading causes of small-diameter synthetic vascular graft failure. To combat these issues, we have incorporated a diazeniumdiolate-modified nitric oxide (NO)-producing peptide into a polyurethane to improve the thromboresistance of this biocompatible polymer.…
We have investigated the photonic properties of a free-standing cholesteric elastomer film under biaxial mechanical load. The sample, which was obtained by UV cross-linking of a cholesteric side-chain polymer, shows substantially improved optical properties compared to cholesteric elastomers obtained by the anisotropi…
We present a neutron diffraction study of the transition between low-density and high-density amorphous ice (LDA and HDA, respectively) under pressure at approximately 0.3 GPa, at 130 K. All the intermediate diffraction patterns can be accurately decomposed into a linear combination of the patterns of pure LDA and HDA…
Abstract Summary: We have developed the first direct, organocatalytic, bulk ring‐opening polymerization (ROP) of ε ‐caprolactone ( ε ‐CL) with solid cotton and paper cellulose as the initiators. The mild ROPs were performed without solvent, and are operationally simple, inexpensive and environmentally benign. Organic‐…
A theoretical approach for the intramolecular energy transfer process involving the ligand-to-metal charge transfer (LMCT) state in lanthanide compounds is developed. Considering a two-electron interaction, both the direct Coulomb and exchange interactions are taken into account, leading to expressions from which sele…
We demonstrate that fluorescence of single molecules in the nanometric vicinity of a thin gold film can be effectively excited and detected through the film with an epi-illumination scanning confocal microscope. A full theoretical treatment of the fluorescence signal indicates that both excitation and emission are sur…
Analysis of the methanolic extract of Calotropis procera root barks enabled the identification of a novel cardenolide (2''-oxovoruscharin) to be made. Of the 27 compounds that we hemisynthesized, one (23) exhibited a very interesting profile with respect to its hemisynthetic chemical yield, its in vitro antitumor acti…
The reaction mechanism for nitrous oxide decomposition has been studied on hydrated and dehydrated mononuclear iron sites in Fe-ZSM-5 using density functional theory. In total, 46 different surface species with different spin states (spin multiplicity M(S) = 4 or 6) and 63 elementary reactions were considered. Heats o…
Five independent effective elastic moduli of a transversely isotropic multiwalled carbon nanotube (MWNT) are studied by analyzing its deformations under four loading conditions, i.e., axial tension, torsional moment, in-plane biaxial tension, and in-plane tension-compression stress. Two distributions of the tension lo…
Rare earth (or yttrium) doped BaCeO 3 has been widely investigated as a proton conducting material. Usually, the trivalent dopants are assumed to occupy the Ce 4+ -site, which introduces oxygen vacancies into the perovskite structure and furthers the protonic conductivity. Recent studies indicate the possibility of do…
Preferred crystallographic orientation, i.e. texture in crystalline materials powder diffraction data, can cause serious systematic errors in phase composition analysis and also in crystal structure determination. The March model [Dollase (1986). J. Appl. Cryst. 19 , 267–272] has been used widely in Rietveld refinemen…
Among the archaea, Methanococcus maripaludis has the unusual ability to use L- or D-alanine as a nitrogen source. To understand how this occurs, we tested the roles of three adjacent genes encoding homologs of alanine dehydrogenase, alanine racemase, and alanine permease. To produce mutations in these genes, we devise…
A new ternary intermetallic compound, namely, YbMn2Sb2, has been synthesized and its magnetic and electrical transport properties have been studied in the temperature range of 2 to 300 K. This compound crystallizes in a trigonal, La2O2S type structure (space group P3bm1, No. 164) and is found to be ferromagnetically o…