Materials Literature
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Formate dehydrogenase (FDH) from Pseudomonas sp. 101 is a homodimeric enzyme that catalyzes oxidation of formate and the concomitant reduction of NAD + to produce NADH and CO 2 . The dynamic motions and distances between functional groups in the active site of the formate dehydrogenase including the NAD + cofactor and…
Density functional theory with relativistic corrections has been used to calculate the 195 Pt chemical shifts for a series of Pt(II) complexes. Good agreement with experimental values is observed with two different relativistic correction methods. Deconvolution of the parameters leading to the overall shielding of the…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTA Heterogeneous Tungsten Catalyst for Epoxidation of Terpenes and Tungsten-Catalyzed Synthesis of Acid-Sensitive Terpene EpoxidesAída L. Villa de P, Bert F. Sels, Dirk E. De Vos, and Pierre A. JacobsView Author Information Center for Surface Chemistry and Catalysis, Katholieke…
We present the results of quantitative variable-temperature neutron powder diffraction experiments performed on the OSIRIS instrument at the ISIS facility on the pure silica zeolites chabazite and ITQ-4. Chabazite has been found to be one of the most strongly contracting materials known, with a linear expansion coeffi…
Functional devices through self-assembly is the goal of the research presented here. Recent progress in the self-assembly of ultrathin films into layered nanoarchitectures and functional assemblies, such as the chemically modified electrode shown in the Figure, is concentrated on. Other devices examined include enzyme…
We report extensive calculations of the imaginary part of the electron self-energy in the vicinity of the (100) and (111) surfaces of Cu. The quasiparticle self-energy is computed by going beyond a free-electron description of the metal surface, either within the GW approximation of many-body theory or with inclusion,…
A quantitative comparison between the experimental microstructure of a sedimentary rock and three theoretical models for the same rock is presented. The microstructure of the rock sample (Fontainebleau sandstone) was obtained by microtomography. Two of the models are stochastic models based on correlation function rec…
The thermal degradation of poly(methyl methacrylate) (PMMA) has been studied in both pure nitrogen and oxygen-containing atmospheres. The presence of oxygen increases the initial decomposition temperature by 70 °C. The stabilizing effect of oxygen may be explained by forming thermally stable radical species that suppr…
Time-resolved small-angle x-ray scattering was used to measure the radius of gyration of cytochrome c after initiation of folding by a pH jump. Submillisecond time resolution was obtained with a microfabricated diffusional mixer and synchrotron radiation. The results show that the protein first collapses to compact de…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTZinc Phosphate with Gigantic Pores of 24 TetrahedraGuo-Yu Yang and Slavi C. SevovView Author Information Department of Chemistry and Biochemistry University of Notre Dame, Notre Dame, Indiana 46556 Cite this: J. Am. Chem. Soc. 1999, 121, 36, 8389–8390Publication Date (…
A method for synthesizing hollow nanoscopic polypyrrole and poly( N -methylpyrrole) capsules is described. The method employs gold nanoparticles as templates for polymer nucleation and growth. Etching the gold leaves a structurally intact hollow polymer capsule with a shell thickness governed by polymerization time (c…
Vanadium oxide nanotubes were obtained as the main product in a sol−gel reaction followed by hydrothermal treatment from vanadium(V) alkoxide precursors and primary amines (C n H 2 n +1 NH 2 with 4 ≤ n ≤ 22) or α,ω-diamines (H 2 N[CH 2 ] n NH 2 with 14 ≤ n ≤ 20). The structure of the nanotubes has been characterized b…
We report that the submerged microbubbles are an efficient source of diffuse radiance and may contribute to a rapid transition to the diffuse asymptotic regime. In this asymptotic regime an average cosine is easily predictable and measurable.
We describe a new mechanism for the nucleation of carbon nanotubes which does not require an abrupt transition from pentagonal ring formation to exclusively hexagon formation. This mechanism, the spontaneous opening of double-layered graphitic patches, is quantitatively consistent with the recently discovered temperat…
Chiral bidentate ferrocenyl ligands have been ned-tuned in terms of their steric and electronic properties, and thus adapted to a variety of reactions catalyzed by transition metals. The position of the two ligating units (two different PR 2 groups, two pyrazolyl, or a combination thereof) attached to the ferrocenylet…
A procedure is introduced for deriving a coarse-grained dissipative particle dynamics from molecular dynamics. The rules of the dissipative particle dynamics are derived from the underlying molecular interactions, and a Langevin equation is obtained that describes the forces experienced by the dissipative particles an…
Single walled carbon nanotubes (SWNTs) were dispersed in isotropic petroleum pitch matrices to form nanotube composite carbon fibers with enhanced mechanical and electrical properties. We find that the tensile strength, modulus, and electrical conductivity of a pitch composite fiber with 5 wt % loading of purified SWN…
A series of [net-polystyrene]-ipn-[net-poly(methyl acrylate)] systems with gradients of poly(methyl acrylate) in a polystyrene matrix are prepared and tested mechanically. The results showed no distinct differences from that of corresponding interpenetrating polymer network (IPN) samples with similar compositions, in…
Kapton film, poly[(N,N′-oxydiphenylene)pyromellitimide], was modified by silane-coupling reactions using 3′(trimethoxysilyl)propoxy-2-hydroxypro-pyl-1,3-diazole (Si–imidazole) to improve the adhesion with copper metal. The Kapton film surface was first treated with argon plasma for 30 s, then dipped into a methanol so…
New Sm(III) μ-halo-bis(trimethylsilyl)amido complexes [Sm(μ-X) {N(SiMe3)2}2(THF)]2 (X = Cl, Br) were synthesized and their crystal structures were analyzed. These complexes were used as catalysts for the homopolymerization of ε-caprolactone and δ-valerolactone and found to initiate ring-opening polymerization (ROP) of…