Materials Literature
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A triple-containment magic-angle spinning rotor insert system has been developed and a sample handling procedure formulated for safely analyzing highly radioactive solids by high-resolution solid-state NMR. The protocol and containment system have been demonstrated for magic-angle spinning (MAS) experiments on ceramic…
The reversible cis/trans photoisomerization of secondary thiopeptide bonds has been systematically studied with UV-visible absorption, capillary electrophoresis, 1H NMR spectroscopy, and circular dichroism methods. It was found that the concentration of the cis conformers could be increased from less than 1 % in the t…
The parallel implementation of multireference configuration interaction program based on the hole-particle symmetry is described. The platform to implement the parallelization is an Intel-Architectural cluster consisting of 12 nodes, each of which is equipped with two 2.4-G XEON processors, 3-GB memory, and 36-GB disk…
A nanoporous template which can be used for the preparation of monodispersed metal nanoparticles can have wide-ranging applications in the catalyzed growth of single-walled nanotubes, as well as the preparation of energetic, nanostructured ferromagnetic particle arrays. Here, we found that a honeycomb-like carbon nano…
Nanocast silica (NCS-1) was synthesized by a casting process by employing the mesoporous carbon CMK-3 (the replica of SBA-15) as a template, tetraethoxysilane (TEOS) as the silica source, and hydrochloric acid (HCl) as the catalyst. The ordered carbon template was removed by employing different methods, such as calcin…
Etwa acht Avidinmoleküle sind über Amidbindungen an jedes Ce/Tb-dotierte Lanthanphosphat-Nanopartikel (NP) konjugiert (siehe Schema). Diese Biofunktionalisierung umfasst die Modifizierung der LaPO4-NPs mit 6-Aminohexansäure (AHA), um kolloidale Stabilität zu erreichen, die Aktivierung der AHA-Carboxygruppen mit 1-Ethy…
The mechanism of magnetic interactions in the bulk ferromagnet para-(methylthio)phenyl nitronyl nitroxide crystal (YUJNEW) has been theoretically reinvestigated, using only data from ab initio calculations and avoiding any a priori assumptions. We first calculate the microscopic magnetic interactions (JAB exchange cou…
In tubular nanocomposites prepared from carbon nanotubes and polyaniline, carbon nanotubes can improve the structural ordering, compactness, delocalization of charges and carrier mobility. Such properties are very much critical in the case of organic semiconducting materials for electronics applications. In this paper…
We have investigated the electrochemical behavior, and chemical and photosensitized reduction of two dendrimers based on a 1,3,5-trisubstituted benzenoid core, which contain 9 and 21 4,4'-bipyridinium (usually called viologen) units, respectively, in their branches and are terminated with tetraarylmethane groups. For…
The electronic structure of ferroelectric Sr 0.5 Ba 0.5 Nb 2 O 6 thin film has been studied by soft-X-ray emission spectroscopy (SXES). In the valence band region, O 2 p and Nb 4 d partial densities of states are observed in the O 1 s and Nb 4 p SXES spectra. The energy position of the Nb 4 d state overlaps with that…
Abstract A mathematical model that describes the effect of conversion and polymerization temperature on the porosity of suspension poly(vinyl chloride) is proposed. The model considers that the packing of the primary particles that develop in the polymerizing drop begins at a conversion at which the particles become m…
Black single crystals of Ta(4)Se(9)I(8) are obtained in a high yield by heating Ta, Se, and I(2) at 300 degrees C in 1:2.2:1.0 molar ratio. In the structure, the tantalum atoms form a square, with four Se(2) ligands bridging the Ta-Ta edges and one capping the square. Each Ta atom has two terminal iodine atoms. The co…
Abstract A self‐made low‐frequency vibration‐assisted injection‐molding (VAIM) device was adopted to explore the relationship between mechanical property and morphology for high‐density polyethylene injected moldings. The main processing variables for the VAIM are vibration frequency and vibration pressure amplitude,…
First-principles calculations based on density functional theory are used to determine the structural, lattice dynamical, elastic, and thermodynamical properties of magnetic ${\mathrm{CuFeS}}_{2}$. The theoretical results are compared with available experimental data and are used as a basis to critically discuss exist…
This article describes a simple and versatile approach to the covalent attachment of ultrathin polypropylene films on silicon wafers. The immobilization was accomplished by way of the C–H insertion reaction of perfluorophenyl nitrenes generated by thermolysis or photolysis of perfluorophenyl azides. Covalently immobil…
This work presents a first-principles study of parallel and crossed junctions of single-wall carbon nanotubes (SWNT). The crossed junctions are modeled by two-dimensional grids of zigzag SWNTs. The atomic and electronic structure, stability, and energetics of the junctions are studied for different magnitudes of conta…
The domain contributions in the piezoelectric converse effect and the direct effect were compared for soft- and hard-PZTs (lead ziroconate and lead titanate solid solitions) by measuring piezoelectric constant d 33 as a function of frequency. The d 33 of the converse effect was determined from the electric-field induc…
The scattering profiles of gold nanoparticles prepared by means of two different methods were measured by the small-angle X-ray scattering, the profiles were found to be well reproduced by Γ-distribution function. This result suggests that the two methods yield nanoparticles with different average diameters and differ…
We demonstrated a fast-switching liquid crystal display with bent polymer fibrils templated from a nematic host with a bend structure. The morphology of the bent polymer fibrils, formed by photopolymerizing a small amount of reactive monomer in a liquid crystal host, depends on monomer concentration, condition of phot…
We present new quasi-elastic neutron scattering experiments and simulation analysis for studying the hydration water dynamics of N -acetyl-leucine-methylamide (NALMA) solutions as a function of concentration and temperature. The experiments show non-Arrhenius translational dynamics over the temperature range of −3 to…