Materials Literature
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Three bimetallic assemblies with alternate homometallic bridges through chloride ligands and heterometallic bridges through cyanide ligands of formula [(323)(2)Cu(2)(Cl)M(CN)(6)](n).2n(H(2)O), where 323 = N,N'-bis(3-aminopropyl)ethylenediamine and M = Co(3+) for 1, Fe(3+) for 2, and Cr(3+) for 3, were synthesized. The…
The devitrification of polystyrene, PS, thin films, supported by oxidized silicon (SiO x /Si) wafers was examined under various conditions of CO 2 pressure and temperature using in situ spectroscopic ellipsometry. PS films in the thickness range of 15 nm < h < 200 nm were studied at temperatures from 25 to 75 °C. The…
Dimethyl sulfoxide (DMSO) is commonly used as a cosolvent to improve the aqueous solubility of small organic compounds. Its use in a screen to identify novel inhibitors of the enzyme NAD(+) synthetase led to this investigation of its potential effects on the structure and stability of this 60-kD homodimeric enzyme. Al…
Intermolecular electron transfer is investigated in a dye-doped polyelectrolyte (PE) multilayer film. Hollow PE capsules, with a mean diameter of 2 microm, were prepared by stepwise adsorption of a pyrene (PY)-labeled polyanion and various polycations onto charged colloids and subsequent dissolution of the colloidal c…
Intrinsic defect processes were compared for an extensive range of A3+B3+O3 compounds with A cation radii from Sc3+ to La3+ and B cation radii from Al3+ to In3+. Crossovers between cation antisite, Schottky and oxygen Frenkel disorder are predicted as a function of cation radius. The radiation tolerance of these compo…
Reaction of 21-C-methyl and 21-C-benzyl nickel(II) complexes of inverted meso-tetratolylporphyrin with platinum(II) dichloride or its bis(benzonitrile) complex yields a chloroplatinum(II) species containing two nickel(II) carbaporphyrinoids in a cis arrangement. One of the carbaporphyrinoids coordinates to the platinu…
ATMP (aminotri(methylenephosphonic acid)), a phosphonate scale inhibitor used in the petroleum industry, was used as a model scale inhibitor in this study. One of the goals of this work was to determine the range of conditions under which Mg ions, which are formed in reservoir formations containing dolomite, modulate…
Our main focus is to investigate the role of isotacticity on the development of morphology in PP films uniaxially deformed from the partially molten state. Polypropylene films with low isotactic index 43 exhibit crosshatched lamella. At the early stages of deformation, this morphology is first broken into small pieces…
Equilibrium molecular dynamics (EMD) Green−Kubo simulations of the shear viscosity coefficient of molten sodium chloride and potassium chloride are reported in the microcanonical ensemble ( N, V, E ). The potential model used is the Born−Mayer−Huggins−Tosi−Fumi interionic potential, and several state points have been…
Charged NO x species ( x = 1,2,3) formed upon adsorption of NO 2 on BaO are characterized by diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy and theoretical vibrational analysis using the density functional theory (DFT). Experiments at 30 °C reveal nitrite formation. At T > 250 °C, shifts associate…
The structural details of thick polymer films made from poly(Z- l -lysine)−polystyrene rod−coil block copolymers, the polydispersity index being in the range ∼1.01−1.64, were investigated by small-angle X-ray scattering techniques. All films were found to have a hexagonal-in-zigzag lamellar morphology. The zigzag supe…
A novel nanostructure was constructed using two different generations of polyamidoamine (PAMAM) dendrimers and three sets of complementary oligonucleotides (34, 50, and 66 bases in length). The oligonucleotides were covalently conjugated to partially acetylated generation 5 and 7 PAMAM dendrimers, and these conjugates…
The haloacid dehalogenase (HAD) superfamily includes a variety of enzymes that catalyze the cleavage of substrate C-Cl, P-C, and P-OP bonds via nucleophilic substitution pathways. All members possess the alpha/beta core domain, and many also possess a small cap domain. The active site of the core domain is formed by f…
Novel fused donor-acceptor dyad (TTF-Q or D-A) and acceptor-donor-acceptor triad (Q-TTF-Q or A-D-A) incorporating the donor tetrathiafulvalene (TTF) and the acceptor p-benzoquinone (Q) have been synthesized. The solution UV-vis spectra of these molecules display a low-energy absorption band that is attributed to an in…
ADVERTISEMENT RETURN TO ISSUEPREVCommunication to the...Communication to the EditorNEXTA Novel Construction of a Reversible Fixation−Release System of Carbon Dioxide by Amidines and Their PolymersTakeshi Endo, Daisuke Nagai, Tomohiro Monma, Hiroshi Yamaguchi, and Bungo OchiaiView Author Information Department of Polym…
In a polymer analogous approach, large dendritic oligophenylenes containing benzene and tetraphenylmethane cores are transformed via oxidative cyclodehydrogenation to novel propeller-shaped molecules with large polycyclic aromatic hydrocarbon units as "blades". Structure analysis is performed by a combination of MALDI…
The interactions of single-walled carbon nanotubes (SWNTs) with ferritin protein in water were investigated. It was found that SWNTs are naturally protein-affinitive in an aqueous ferritin solution, resulting in significant ferritin−SWNT conjugation and the solubilization of the nanotubes. The conjugation is further e…
We predict a diblock copolymer melt in the lamellar phase with added spherical nanoparticles that have an affinity for one block to have a lower tensile modulus than a pure diblock copolymer system. This weakening is due to the swelling of the lamellar domain by nanoparticles and the displacement of polymer by elastic…
The determination of density profiles with knowing the phase information of complex reflection coefficient for neutron specularly reflected from a film, yields unique results. Recently it has been shown that the phase can be determined by using controlled variation of the scattering length density of the fronting (inc…
A reliable semi-empirical Hamiltonian for materials simulations must allow electron screening and charge redistribution effects. Using the framework of linear combination of atomic orbitals (LCAO), a self-consistent and environment-dependent (SCED) Hamiltonian has been constructed for quantum mechanics based simulatio…