Materials Literature
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The monomeric ferric hemepeptide from cytochrome c, N -acetylmicroperoxidase-8 (NAcMP8), retains the proximal His ligand and has a coordinated water molecule in the second axial site. It provides an opportunity for quantitatively studying in aqueous solution the coordination chemistry of an iron porphyrin with a singl…
The collective electronic oscillators method is used to construct an effective Frenkel exciton Hamiltonian for conjugated dendrimers with fractal geometry. Self-similarity and the high degree of symmetry utilized by decomposing the space of optical excitations into irreducible representations make it possible to compu…
The segmental dynamics of PMPS chains are determined in the bulk liquid and cross-linked networks of varying cross-link density by broad-band dielectric relaxation spectroscopy. A large fragility index [τ( T g */ T ) dependence], F 1/2 = 0.77, is found, independent of cross-link density, molecular weight, and T g . Al…
To answer the question of which fatty acid residue is the most effective, diacetyltartaric esters of monoglycerides (DATEMs) with fatty acids of chain lengths 6:0-20:0 were synthesized. The activity of synthesized DATEMs and commercial DATEM products was studied by means of rheological methods and a microscale baking…
Electron paramagnetic resonance (EPR) lineshapes of nitroxide spin probes in a variety of organic supercooled liquids and glasses were analyzed within the framework of the fast librational motion model. Computer simulation confirmed that the EPR lineshape may be fitted well by the librational model. For all systems st…
By means of extensive equilibrium molecular dynamics simulations we have investigated the behavior of the interfacial tension γ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced temperature T*=kBT/ε in the range 0.6⩽T*⩽3.0. We find that, unlike the monotonic decay obta…
In a comprehensive study of the M 2 S n and M‘S n alkali (M) and alkaline-earth (M‘) polysulfides, the alkali polysulfides K 2 S 2, Na 2 S 3 ·NH 3, and K 2 S 3 have been prepared by reaction of the metal with sulfur in liquid ammonia and subsequent heat treatments. Their Raman spectra have been analyzed in relation to…
A sample of Westvaco carbon was oxidized with ammonium persulfate and both initial and oxidized samples were washed with methanol. The samples were characterized using sorption of nitrogen, Boehm titration, potentiometric titration, IGC, FTIR, TPD, and thermal analysis. Then water adsorption isotherms were measured at…
Hydroxypolycarbonates (HPC) offer to the biomedical area hydroxyl functional polymers not now readily available to bind drugs, proteins, or carbohydrate polymers chemically or via hydrogen bonding to facilitate drug delivery and utility with subsequent biodegradibility to acceptable byproducts. The cyclic carbonate (…
A 1.8 μm diameter poly( N -vinylpyrrolidone)-stabilized polystyrene (PS) latex has been coated with poly(3,4-ethylenedioxythiophene) [PEDOT], an organic conducting polymer which exhibits good environmental stability. Despite its limited solubility, EDOT was successfully polymerized in aqueous solution using iron(III)…
A generalized continuum framework for the theory of solute transport in fluids is proposed and systematically developed. This framework rests on the introduction of a generic force balance for the solute, a balance distinct from the macroscopic momentum balance associated with the mixture. Special forms of such a forc…
The phase behavior of poly(styrene- b -butyl methacrylate), PS- b -PBMA, diblock copolymers was investigated by small-angle neutron scattering (SANS), neutron reflectometry (NR), and rheology. For a symmetrical P(dS- b -nBMA) diblock copolymer a lower critical order transition (LCOT) at 155 °C was found by SANS and rh…
Data from the literature on four dilute solution properties radius of gyration, second virial coefficient, intrinsic viscosity, and diffusion coefficient were analyzed for linear flexible-chain polymers of several species in both thermodynamically good solvents and ϑ solvents. Each property was expressed as an effecti…
Highly disperse oxides X/SiO 2 (synthesized by using high-temperature hydrolysis of a SiCl 4 and MCl n (M = Al, Ti) blend or chemical vapor deposition (CVD) technique for preparation of CVD-X (X = TiO 2, GeO 2 ) on a fumed silica substrate) were studied by means of 1 H NMR, one-pass temperature-programmed desorption t…
The removal efficiency of total organic carbon (TOC) from raw high-strength alcohol-distillery waste liquors was evaluated using three different treatments: thermolysis (T), noncatalytic wet oxidation (WO), and solid-catalyzed wet oxidation (CWO). The distillery liquors (TOC = 22 500 mg/L, sugars = 18 000 mg/L, and pr…
Silica “nanobubbles” are hollow spheres of silica that can be used as nanometer-sized containers for probe molecules. A method for the encapsulation of a fluorescent molecule into silica “nanobubbles” is reported. Fluorescein isothiocyanate (FITC) dye molecules were coadsorbed onto the surface of gold nanoparticles wi…
We present a new scheme for the construction of highly localized lattice Wannier functions. The approach is based on a heuristic criterion for localization and takes the symmetry constraints into account from the start. We compare the local modes thus obtained with those generated by other schemes and find that they a…
We calculate the differential cross-section of the direct double photo-ionization of He physisorbed on a polarizable surface. By including the influence of the surface potential in the correlated two-electron final state wavefunction, we show that the differential cross-section carries detailed information on the elec…
First principles calculations are used to investigate the band structure and the transport related properties of unfilled and filled 4d skutterudite antimonides. The calculations show that, while RhSb3 and p-type La(Rh,Ru)4Sb12 are unfavorable for thermoelectric application, n-type La(Rh,Ru)4Sb12 is very likely a high…
New opportunities are discussed for the pore-size engineering of mesoporous silicas using amines as swelling agents. It was shown that N, N -dimethylhexadecylamine (DMHA) is a convenient expander allowing for the synthesis of large-pore MCM-41 in mild conditions. Their pore size increased and the structural ordering d…