Materials Literature
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MODBASE (http://salilab.org/modbase) is a database of annotated comparative protein structure models for all available protein sequences that can be matched to at least one known protein structure. The models are calculated by MODPIPE, an automated modeling pipeline that relies on MODELLER for fold assignment, sequenc…
The RCSB Protein Data Bank (PDB) offers online tools, summary reports and target information related to the worldwide structural genomics initiatives from its portal at http://sg.pdb.org. There are currently three components to this site: Structural Genomics Initiatives contains information and links on each structura…
SWISS-MODEL Repository (SMR) is a database of annotated 3D protein structure models generated by the automated SWISS-MODEL homology modeling pipeline. It currently holds >400 000 high quality models covering almost 20% of Swiss-Prot/UniProtKB entries. In this manuscript, we provide an update of features and functional…
Abstract NMR spectra of highly saddled Mn(III) porphyrinates such as Mn(OETPP)(CD3OD)2+ have been measured. The extraordinarily upfield shifted meso-13C signals, which reach as much as −492 ppm at 298 K, are ascribed to the dx2−y2–a2u, dxy–a1u, and dπ–3eg interactions, the former two of which occur only when the porph…
Contact angles of a homologous series of naphthalene compounds on films of a fluorinated acrylate polymer (EGC-1700) deviate from an ideal pattern of contact angles. The deviations increase with the electronegativity of the constituent atoms of the liquid molecules. The results suggest that an uneven distribution of e…
Abstract The novel thiodiphosphate, [Na(12‐crown‐4) 2 ] 2 [P 2 S 6 ] · CH 3 CN, bis[di(12‐crown‐4)sodium] hexathiodiphosphate(V) acetonitrile solvate ( 1 ) has been synthesized by the reaction of Na 2 [P 2 S 6 ] with 12‐crown‐4 in dry acetonitrile. The title compound crystallizes in the tetragonal space group P4 2 /mb…
Abstract Cs 3 Se 22 can be prepared together with the known compounds Cs 2 Sn 2 Se 6 and Cs 4 Sn 2 Se 6 by reacting Cs 2 CO 3 and Sn in a CH 3 OH/en solution at 120 °C. The presence of CuCl and the macrocyclic ligand 1,10‐dithia‐18‐crown‐6 are essential for product formation. The caesium polyselenide consists of anion…
Abstract One‐dimensional (1D) titanium trisulfide (TiS 3 ) nanobelt bundles up to 4 cm in length have been successfully synthesized through an easy and common chemical vapor transition (CVT) process. The as‐synthesized samples were characterized by X‐ray powder diffraction (XRD), polarized light microscopy, scanning e…
Abstract 1,4,8,11,15,18,22,25‐Octalkyl‐2,3;9,10;16,17;23,24‐tetrakis( o ‐xylylenedithio)phthalocyanines 4a – d (alkyl = ethyl, butyl, octyl, and dodecyl) were prepared in moderate yields by treatment of 3,6‐dialkyl‐4,5‐( o ‐xylylenedithio)phthalonitriles 3a – d with lithium in n ‐pentanol. Reductive removal of the fou…
The performance of intermolecular potential models on the adsorption of benzene on graphitized thermal carbon black at various temperatures is investigated. Two models contain only dispersive sites, whereas the other two models account explicitly for the dispersive and electrostatic sites. Using numerous data in the l…
Dextran surface grafting density was systematically varied via a two-step process involving SiO(2) amination by aminopropyltriethoxy silane (APTES) followed by oxidized dextran (M(w) = 110 kDa) chemisorption. Dextran oxidation kinetics with sodium metaperiodate (NaIO(4)) were quantified by (1)H NMR and pH measurements…
Abstract We have studied the effect of cryomilling (high‐energy ball milling under cryogenic temperature) on the thermal behaviors of poly(ethylene terephthalate) (PET) by comparing with original PET and quenched PET. Cryomilling induced the amorphization of crystalline PET, but the thermal behaviors of amorphous PET…
We determine the structure and static dielectric response of the $\mathrm{Ba}\mathrm{Ti}{\mathrm{O}}_{3\phantom{\rule{0.3em}{0ex}}1\phantom{\rule{0.3em}{0ex}}\text{unit}\phantom{\rule{0.3em}{0ex}}\text{cell}}∕\mathrm{Sr}\mathrm{Ti}{\mathrm{O}}_{3\phantom{\rule{0.3em}{0ex}}1\phantom{\rule{0.3em}{0ex}}\text{unit}\phanto…
The effect of pectin esterification on the assembly of multilayers consisting of poly-L-lysine (PLL) and pectin was studied using surface plasmon resonance (SPR), Fourier transform infrared-attenuated total reflection spectroscopy (FTIR-ATR), and a quartz crystal microbalance with dissipation monitoring (QCMD). With e…
The preparation, crystal structures, extended Hückel theory band structure, and density functional theory (DFT) calculations and conducting and magnetic properties of seven new charge-transfer salts, formulated as (D) 2 [M III (isoq) 2 (NCS) 4 ], where D = DIET (diiodo(ethylenedithio)tetrathiafulvalene), DIETS (diiodo…
Carbon nanotubes (CNTs) constitute a prominent example of nanomaterials. In most studies on mechanical properties, the effort was concentrated on CNTs with relatively small aspect ratio of length to diameters. In contrast, CNTs with aspect ratios of several hundred can be produced with today’s experimental techniques.…
Various quaternary chitosan derivative structures were synthesized by reacting N-chloroacyl-6-O-triphenylmethylchitosans with tertiary amines. Full substitutions were obtained from the quaternization reactions and the obtained water-soluble quaternary chitosan derivatives were thoroughly characterized with (1)H NMR, (…
Abstract New chalcogenidoarsenate compounds [M(en) 3 ] 2 As 2 S 5 (en = ethylenediamine, M = Mn ( 1 ), Ni ( 2 )), and [Mn(en) 3 ] 2 As 2 Se 5 ( 3 ) were synthesized by the reaction of transition metal chloride, arsenous oxide, and elemental sulfur (or selenium) in en at 140 °C. The compounds are consist of isolated [A…
Abstract Summary: The study of the structure and the rheological properties of poly(propylene) (PP)/montmorillonite (MMT)/maleinated PP (MAPP) composites strongly suggests that a silicate network may form under certain conditions. Network formation could not be proven unambiguously with the usual techniques, i.e., wit…
Abstract Summary: In this study, microstructured surfaces are produced by a spatial arrangement of different functional domains by a combination of plasma polymerization and photolithography. Two different kinds of protein and cell adhesive patterns have been alternated with non‐fouling areas. Non‐fouling patterns are…