Materials Literature
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A theoretical treatment is developed for the wetting of a solid particle at an oil−water interface in terms of the components of the surface energies of all three phases. Calculated oil−water contact angles for a solid of given hydrophobicity with a range of oils of different polarity show good agreement with experime…
Spider silks are protein-based "biopolymer" filaments or threads secreted by specialized epithelial cells as concentrated soluble precursors of highly repetitive primary sequences. Spider dragline silk is a flexible, lightweight fiber of extraordinary strength and toughness comparable to that of synthetic high-perform…
A second-generation potential energy function for solid carbon and hydrocarbon molecules that is based on an empirical bond order formalism is presented. This potential allows for covalent bond breaking and forming with associated changes in atomic hybridization within a classical potential, producing a powerful metho…
Five polycyclic aromatic hydrocarbons of the C26 series having similar bonding structure yield dianions upon reduction with lithium metal. Anisotropy changes, revealed from an advanced charge distribution analysis performed on these dianions, show a correlation to the bonding structure of the dianions. Electron counti…
A structural analysis of copolymers of syndiotactic polypropylene with small amounts of 13 C-enriched ethylene, in the range 0.4−2.6 mol %, is reported. X-ray diffraction and solid-state 13 C NMR CPMAS data indicate that the as-prepared copolymer samples are crystallized in the conformationally disordered modification…
A new polymorph of 4-phenylimidazole 1a has been characterised by X-ray crystallography. Both polymorphs present a secondary structure of chains, and the observed differences in the topology of their crystal packing are related to the conformational differences in the primary and secondary structural levels. NMR exper…
A series of 20 ruthenium(II) complex salts, known to exhibit large molecular static first hyperpolarizabilities β 0 [HRS] from hyper-Rayleigh scattering measurements on acetonitrile solutions at 298 K (Coe, B. J.; et al. Inorg. Chem . 1997, 36, 3284; 1998, 37, 3391; J. Chem. Soc., Dalton Trans . 1999, 3617), have been…
We report the synthesis of grafted polystyrene (PS) films on gold via a surface-initiated polymerization strategy. The polymerization proceeded by a “grafted-from” strategy in which the polystyrene grew by free-radical polymerization from a surface-bound photoinitiator. These experiments exploited the spontaneous form…
Structural analysis of the initial steps in protein folding is difficult because of the swiftness with which these steps occur. Hence, the link between initial polypeptide chain collapse and formation of secondary and other specific structures remains poorly understood. Here, an equilibrium model has been developed fo…
A bis-terdentate segmental ligand has been designed which self-assembles with lanthanide ions of different size to yield heterodimetallic triple-stranded helicates.
Polyether-urethanes (PEUs) have been the materials of choice for the manufacture of conventional blood-contacting devices. Nevertheless, biostability and blood compatibility are still among the principal limitations in their long-term application. Studies investigating the development of protective coatings for PEUs h…
Treatment of the octahedral Ru(II)-dimethyl sulfoxide complexes trans-RuCl(2)(dmso-S)(4) (1), trans-RuCl(2)(dmso-O)(2)(CO)(2) (2), and trans-RuCl(2)(dmso)(3)(CO) (3) with a stoichiometric amount of 5,10-bis(4'-pyridyl)-15,20-diphenylporphyrin (4'-cis-DPyP) yields, after chromatographic purification, the novel 2+2 mole…
Grazing-incidence X-ray diffraction data are combined with energy-minimization calculations to analyse the atomic structure of the Al-rich (3sqrt{3} x 3sqrt{3})R 30 deg reconstructed surface of sapphire alpha-Al_2O_3(0001). The experiments on the BM32 beamline of the ESRF provide the non-integer-order diffraction inte…
Pinning and depinning of wavefronts are ubiquitous features of spatially discrete systems describing a host of phenomena in physics, biology, etc. A large class of discrete systems is described by overdamped chains of nonlinear oscillators with nearest-neighbor coupling and controlled by constant external forces. A th…
The Kroemer model for the Gunn effect in a circular geometry (Corbino disks) has been numerically solved. The results have been interpreted by means of asymptotic calculations. Above a certain onset dc voltage bias, axisymmetric pulses of the electric field are periodically shed by an inner circular cathode. These pul…
Positron lifetime, Photoluminescence and Hall measurements were performed to study undoped p-type gallium antimonide materials. A 314ps lifetime component, attributed to $V_{Ga}$ related defect, was identified in the positron lifetime measurement. In the PL measurement, a $778meV$ and a $797meV$ peaks were observed. I…
Two silver-impregnated activated carbons (SIACs) (0.05 and 1.05 wt % silver) and their virgin (i.e., unimpregnated) granular activated carbon (GAC) precursors were investigated for their ability to remove and sequester iodide from aqueous solutions in a series of batch sorption and leaching experiments. Silver content…
1. Introduction 2. Molecular dynamics simulation of amorphous carbon structures 3. Atomistic simulation of the bombardment process during the BEN phase of diamond CVD 4. Growth of amorphous silicon 5. One-dimensional hopping in disordered organic solids
The vapochromic and vapoluminescent compound Pt(CN-p-(C(2)H(5))C(6)H(4))(2)(CN)(2) (abbreviated PtC(2)) is conveniently synthesized by the thermal rearrangement of [Pt(CN-p-(C(2)H(5))C(6)H(4))(4)][Pt(CN)(4)]. Recrystallization of PtC(2) gives a crystalline orange morph (O-PtC(2)) and an amorphous purple morph (P-PtC(2…
Evidences of a monoclinic phase in unpoled $({\mathrm{PbMg}}_{1/3}{\mathrm{Nb}}_{2/3}{\mathrm{O}}_{3}{)}_{1\ensuremath{-}x}\ensuremath{-}({\mathrm{PbTiO}}_{3}{)}_{x}$ with $x=0.35$ (PMN-PT 35%) and unpoled $({\mathrm{PbZn}}_{1/3}{\mathrm{Nb}}_{2/3}{\mathrm{O}}_{3}{)}_{1\ensuremath{-}x}\ensuremath{-}({\mathrm{PbTiO}}_{…