Materials Literature
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The recent accumulation of large amounts of 3D structural data warrants a sensitive and automatic method to compare and classify these structures. We developed a web server for comparing protein 3D structures using the program Matras (http://biunit.aist-nara.ac.jp/matras). An advantage of Matras is its structure simil…
In acidic solution between pH 6 and 2.5, protons react reversibly and selectively in the presence of preadsorbed oxygen at the sidewall of aqueous dispersed single-walled carbon nanotubes suspended in sodium dodecyl sulfate. This reactive complex, which protonates the nanotube sidewall, reversibly diminishes absorptio…
Recent demonstrations of negative refraction utilize three-dimensional collections of discrete periodic scatterers to synthesize artificial dielectrics with simultaneously negative permittivity and permeability. In this paper, it is shown that planar, two-dimensional L-C transmission line networks in a high pass confi…
In addition to alkanethiols and phosphine derivatives, alkylamines have been investigated as capping agents in the synthesis of organically dispersible gold nanoparticles. However, reports pertaining to gold nanoparticle derivatization with alkylamines are relatively scarce and their interaction with the underlying go…
Left-handed (LH) materials, first introduced theoretically in Veselago (1968), have spurred considerable excitement since the demonstration of their practical realizability. The unique properties of these metamaterials, verified by full-wave analysis in Caloz et al. (2001), are promising for a diversity of optical/mic…
We observe infrared laser excited photoconductivity from a single carbon nanotube incorporated as the channel of an ambipolar field-effect transistor (FET). Electron−hole pairs are generated within the nanotube molecule, and the carriers are separated by an applied electric field between the source and drain contacts.…
The chemical reduction of graphite oxide (GO) to graphite by either NaBH 4 or hydroquinone and also its surface modification with neutral, primary aliphatic amines and amino acids are described. Treatment of GO with NaBH 4 leads to turbostatic graphite that upon calcination under an inert atmosphere is transformed to…
The fortran program ESPript was created in 1993, to display on a PostScript figure multiple sequence alignments adorned with secondary structure elements. A web server was made available in 1999 and ESPript has been linked to three major web tools: ProDom which identifies protein domains, PredictProtein which predicts…
Double-decker phthalocyanine complexes with Tb3+ or Dy3+ showed slow magnetization relaxation as a single-molecular property. The temperature ranges in which the behavior was observed were far higher than that of the transition-metal-cluster single-molecule magnets (SMMs). The significant temperature rise results from…
SWISS-MODEL (http://swissmodel.expasy.org) is a server for automated comparative modeling of three-dimensional (3D) protein structures. It pioneered the field of automated modeling starting in 1993 and is the most widely-used free web-based automated modeling facility today. In 2002 the server computed 120 000 user re…
Hydrogen pair defects in bulk diamond and on the (111) surface have been investigated using hybrid density functional theory and cluster models, including relaxation of defect atoms. The ${\mathrm{H}}_{2}^{*}$ defect, consisting of one hydrogen atom in a bond inserted (BI) site and the other in an adjacent ``antibondi…
Abstract We report the structural characterization and magnetic behaviour of the spinels with general formula Li 0.5+0.5 x Fe 2.5−1.5 x Ti x O 4 , where x = 1.28 and 1.50. When the samples are cooled slowly, a 1:3 crystallographic order occurs, whereas a random disorder is observed when the samples are quenched. Neutr…
The effects of periodic and aperiodic distortions on the structure factor and radial distribution function of single-component lattices are investigated. To this end, different kinds of distortions are applied to the otherwise perfect square lattice and the corresponding radial distribution function and structure fact…
Abstract Nd–Fe–B sintered magnet scrap powders, viz. “sludge”, as produced in the sizing and polishing processes for well-shaped magnets of small-sized motors and other equipments were effectively recovered as the raw powders for isotropic Nd–Fe–B bonded magnets (Br = 0.66 T, Hcj = 0.92 MA/m, and (BH)max = 70 kJ/m3) b…
Nach einem Templat-induzierten Mechanismus bilden sich Nanofasern aus 1,3-Diphenyl-2-pyrazolin (DP) in wässriger Phase in Gegenwart von Cetyltrimethylammoniumbromid (CTAB). Die oberflächenaktiven CTAB-Moleküle dienen hierbei nicht nur als Kolloid-Stabilisatoren, denn auch die stäbchenförmigen CTAB-Micellen, die sich a…
A facile method for the synthesis of biphenyl polyimides, which involves the nickel-catalyzed coupling of aromatic dichlorides containing imide structure in the presence of zinc and triphenylphosphine, has been developed. The polymerizations proceeded smoothly under mild conditions and produced biphenyl polyimides wit…
We have determined the crystal structure of a phosphatase with a unique substrate binding domain from Thermotoga maritima, TM0651 (gi 4981173), at 2.2 A resolution by selenomethionine single-wavelength anomalous diffraction (SAD) techniques. TM0651 is a member of the haloacid dehalogenase (HAD) superfamily, with seque…
The cyclization and cycloreversion reactions of diarylethene derivatives have been studied with picosecond time-resolved Stokes and anti-Stokes Raman spectroscopies. The cyclization reaction of 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene (DMTF) is found to occur within 4 ps to produce the vibrationally excite…
Die überraschende Bildung des ersten Spirodiporphyrins in Form eines Metallkomplexes, des Spirodicorrol-Dinickelkomplexes 1, ist ein Ergebnis der vielseitigen Chemie des „Figure-Eight“-Cyclooctapyrrols Octaphyrin-(1.1.1.0.1.1.1.0). Die Umwandlung des Cyclooctapyrrols in 1 beruht auf einer Folge von Oxidation und einer…
The effect of hydrogen bonding on the phase behavior of binary polymer blends of poly(ethylene covinyl alcohol) (EVOH) with poly( n -butyl methacrylate) (PBMA) and poly(4-vinyl pyridine) (PVPy) was studied by Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR/ATR). The association model of Pain…