Materials Literature
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Statistically significant charge clusters (basic, acidic, or of mixed charge) in tertiary protein structures are identified by new methods from a large representative collection of protein structures. About 10% of protein structures show at least one charge cluster, mostly of mixed type involving about equally anionic…
A general method is described for constructing a helical oligoproline assembly having a spatially ordered array of functional sites protruding from a proline-II helix. Three different redox-active carboxylic acids were coupled to the side chain of cis-4-amino-L-proline. These redox modules were incorporated through so…
We have investigated an antiferroelectric liquid crystal which is stabilized by a polymer network. The latter is formed by in situ photopolymerization of a mesogenic diacrylate. The pure liquid crystalline monomer shows the well-known tristable electro-optic switching due to a field induced transition from the antifer…
Colossal magnetoresistance in ( x = 0.0, 0.1) , P D Battle, S J Blundell, M A Green, W Hayes, M Honold, A K Klehe, N S Laskey, J E Millburn, L Murphy, M J Rosseinsky, N A Samarin, J Singleton, N E Sluchanko, S P Sullivan, J F Vente
Phase-matched second-harmonic generation in the highly χ(2)-active layered semiconductor GaSe is demonstrated in the near-infrared frequency region. Due to the high indices of refraction, the internal phase-matching angle of about 30° is beyond the critical angle of total reflection for a z-cut crystal. This problem i…
We determined the magnitude of the third-order nonlinear optical susceptibilities χ(3)(−3ω; ω, ω, ω) of vanadyl-phthalocyanine (VOPc) films grown on KBr and fused silica substrates, using the third harmonic generation method at a wavelength of 1200 nm. The χ(3) value of the film grown epitaxially on KBr was 2.87×10−10…
Enhanced electric field (E) induced modulation of the resistance of epitaxial thin films of N${\mathrm{d}}_{0.7}$S${\mathrm{r}}_{0.3}$Mn${\mathrm{O}}_{3}$ has been observed. The results show several remarkable features: first, field-direction-independent decrease of the resistance above the temperature at which the pe…
Carbon nitride thin films obtained by dual ion beam sputtering have been investigated by electron energy-loss spectroscopy (EELS), transmission electron microscopy, and Fourier transform infrared spectroscopy. The nitrogen content in the films depends on deposition conditions. A maximum value of N/C=0.8 has been achie…
We apply results derived in other contexts for the spectrum of the Laplace operator in curved geometries to the study of an ideal polymer chain confined to a spherical annulus in arbitrary space dimension D and conclude that the free energy compared to its value for an uncurved box of the same thickness and volume, is…
The theory of metal - ceramic interfaces is a collection of approaches which are complementary. They range from thermodynamic modelling based on empirical correlations, through the image model of adhesion, semi-empirical tight-binding calculations, to first-principles calculations based on applying the density functio…
We present an implementation of Maxwell's equations on adaptive meshes in order to study interaction of light with metal surfaces. For the first time it is possible to handle surfaces consisting of complex particles close enough to interact strongly. A fully retarded implementation allows treatment of large particles…
Aus zwei identischen und sich gegenseitig durchdringenden dreidimensionalen Netzen mit Cu I als tetragonal und dem Liganden tpt als trigonal verknüpfendem Baustein bestehen die kubischen Kristalle der Titelverbindung. Die tpt‐Einheiten liegen als diskrete, zueinander zentrosymmetrisch angeordnete Paare vor, wobei die…
The successful development of digital radiography depends, to a large extent, on the availability of suitable x-ray photoconductors. The x-ray photoconductive nanocomposites reported here combine the advantages of both inorganic and organic compounds. An inorganic compound was finely dispersed in an organic polymer. T…
Theoretical modeling of the dynamics of complexation and decomplexation of guest molecules by container molecules reveals that gating has a critical influence on the ease of formation and stability of host-guest complexes. Hosts equipped with gates can form very stable complexes with a variety of guests under readily…
Helium atom scattering (HAS) studies of the H-covered Mo(110) and W(110) surfaces reveal a twofold anomaly in the respective dispersion curves. In order to explain this unusual behavior we performed density functional theory calculations of the atomic and electronic structure, the vibrational properties, and the spect…
An extracellular protease ofBacillus subtilis K2, when compared with the pancreatic bate ‘Oropon’ used at comparable protease activity, produced a finer grain and greater elasticity of goat pelt. Quality of the processed, finished leather after microbial bating showed <41% and <14% increases in tensile and tear streng…
Abstract Reversible dioxygenation reaction of a molybdenum(IV) porphyrin, MoIVO(tmp), in the solid state with dioxygen, was confirmed directly by in-situ UV-vis spectral measurements.
The phase behavior of liquid-crystalline salts having a cholesteryl group was investigated by differential scanning calorimetry and polarized-light microscopy. Cholesteryl hydrogen succinate (CHS) and cholesteryl hydrogen phthalate (CHP) were used as a mesogenic core, and a series of normal aliphatic amines with 12 ∼…
We have investigated tailoring damage effects of explosive devices by addition of unconventional materials, specifically combustible metals. Initial small-scale as well as full-scale testing has been performed. The explosives functioned to disperse and ignite these materials. Incendiary, enhanced-blast, and fragment-d…
Although the (n + 1)p orbital is unoccupied in transition-metal ground-state configurations which are all ndx(n + 1)sy, these (n + 1)p functions play a crucial role in the structure of transition metal complexes. As we show here, the usual solution, adding one or more diffuse functions, can be insufficient to create a…