Materials Literature
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One of the most important aspects of macromolecular structure refinement is the use of prior chemical knowledge. Bond lengths, bond angles and other chemical properties are used in restrained refinement as subsidiary conditions. This contribution describes the organization and some aspects of the use of the flexible a…
The present paper describes the SSM algorithm of protein structure comparison in three dimensions, which includes an original procedure of matching graphs built on the protein's secondary-structure elements, followed by an iterative three-dimensional alignment of protein backbone Calpha atoms. The SSM results are comp…
CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics. The map-fitting tools are available as a stand-alone package, distributed as 'Coot'.
Abstract We propose a phenomenological model describing stress and temperature induced transformations in polycrystalline shape memory alloys. Polycrystallinity is mimicked on the level of a finite element discretization: Each element is treated as a single grain of a randomly chosen orientation. This heterogeneity de…
This study focuses on the clear, stable mother liquors obtained after completion of crystallization of nanocrystalline sodalite, zeolite A, and zeolite Y. Characterization of the freeze-dried mother liquors by high-resolution transmission electron microscopy showed regions of crystallinity for both zeolites A and Y, a…
Two cyanovinylene-containing isomeric monomers were prepared by the Knoevenagel condensation of 4- and 6-formylthieno[3,4- b ]thiophene with thiophene-2-acetonitrile, and these monomers were electrochemically polymerized to yield two low-band-gap (1.2 eV) conjugated polymers. The onsets for oxidation of the conjugated…
Single nanometer-sized metallic Ni particles have been successfully deposited inside a hexagonally ordered mesoporous silica material by using a liquid-phase reductive deposition method.
A manganese(III) complex of tetraphenylporpholactone, Mn(TPPL)Cl, was synthesized and characterized, including by single-crystal X-ray diffraction; the catalytic activity of this complex for olefin epoxidation reactions is compared with that of manganese(III) tetraphenylporphyrin chloride, Mn(TPP)Cl.
Abstract An electrochemical deposition process, which is a combination of electrodeposition of CoFe 2 alloy from an ethylene glycol bath followed by its anodization at ambient temperature, is used to deposit CoFe 2 O 4 thin films on different conducting substrates. Various deposition conditions are studied and optimiz…
Abstract A collection of green earths belonging to traditional artists’ pigments was examined in terms of mineralogy and provenance. The studied specimens included both mineralogical reference compounds and selected commercially available artists’ pigments, and contained green micas (glauconite or celadonite), chlorit…
The structure and dynamics of polymer-grafted two-dimensional silicate layers in solution were investigated. The geometry of the individual silicate layers was examined by looking at both polarized and depolarized light scattering from dilute solutions, while higher-concentration systems were used to study the interac…
Abstract Kaolins from an Al-rich clay deposit formed in volcanic tuff, southeastern Korea contain predominant dickite and quartz with accessory diaspore, pyrophyllite, alunite, illite, sulfides and calcite. Intergrowth of blocky crystals with thin ones within stacks suggests that blocky crystals gradually replaced thi…
1-Aquo- and 1-ethyloxonio-5-carbasilatranes 2 and 3 were synthesized. X-ray crystallographic analysis revealed that 2 has a nearly ideal trigonal bipyramidal structure, in which the water molecule is located at the apical position. This water molecule is exchangeable with the other Lewis bases, such as H218O and HMPA.…
The crystal and magnetic structures of the double perovskite La2CoRuO6 have been investigated using neutron powder diffraction. La2CoRuO6 has a monoclinic P21/n superstructure (a = 5.5724(3) Å, b = 5.6288(3) Å, c = 7.8843(4) Å and β = 89.99(2)°) with a rocksalt ordered arrangement of Co and Ru over the perovskite B si…
A 3-year field experiment beginning in 1995–96 was undertaken on a Gangetic alluvial soil (Typic Ustochrept) at Modipuram, India, to examine how phosphorus (P) demands of rice–wheat cropping systems might be met with heavy initial dressings of phosphate rock. Treatments were: (i) 1 rice–wheat cycle where P was applied…
Two novel star molecules functionalized with 7-azaindolyl and 2,2'-dipyridylamino groups have been synthesized. Both molecules possess a sixfold rotation symmetry. Molecule L1 is based on the hexaphenylbenzene core with the formula of hexa[p-(7-azaindolyl)phenyl]benzene, while molecule L2 is based on the hexakis(biphe…
Samples of colloidal chitin and chitosans with deacetylation degrees (DD) of 50, 65, 75 and 95% (DD50, DD65, DD75 and DD95, respectively) were prepared from shrimp chitin. The hydrolytic activity of cellulase on these samples increased with the increasing DD of chitosan, with DD95 being the most easily hydrolyzed. Col…
The reactions of [MeAl(2-py)3Li.thf] (1) with FeCl2 or Cp2Mn in toluene-thf give simple access to the Group 13-transition metal heterometallic complexes [{MeAl(2-py)3}2M][M = Fe (2), Mn (3)]; complex has been shown to be a highly selective styrene epoxidation catalyst in air.
Abstract Bulk mineralogical and chemical properties of a weathering profile derived from serpentinite were studied using classical pedological methods (Munsell soil colors, particle-size distribution, density, cation exchange capacity, exchangeable bases, among others) and inductively coupled plasma-atomic emission sp…
The solubilities of 1,3-benzenedicarboxylic acid (isophthalic acid) in water, acetic acid, and acetic acid + water solutions with mass fractions of acetic acid on a solute-free basis of 0.2056, 0.4083, and 0.6082, respectively, were measured. The concentration of the solution was determined by a gravimetrical method.…