Materials Literature
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Anthracene and related compounds function as lifetime-extending cofactors in the (meso-tetraphenylporphine)Mn(III) chloride-catalyzed epoxidation of olefins. An experiment with a chiral porphyrin catalyst shows that enantioselectivity is preserved in the presence of the cofactor. Additional experiments show that (a) t…
The atomic structures of 124 single-walled carbon nanotubes, described by their diameter and helicity or equivalently by the two chiral indices $(u,v)$ that define the perimeter of each nanotube, have been determined unambiguously by nanobeam electron diffraction. A mapping of 70 possible nanotubes in the range of 1.2…
Purpose To study the effects of isomers of organic compounds such as phenylenediamine, toluidine and nitroaniline as inhibitors for the corrosion of carbon steel in sulfuric acid. Design/methodology/approach Standard methods have been adopted in this study such as weight loss, polarization tests, impedance measurement…
The lack of an ``isosbestic'' point in the oxygen-oxygen atom radial distribution functions (RDFs) for the $\mathrm{HDA}\ensuremath{\rightarrow}\mathrm{LDA}$ ice transformation at ambient pressure derived from molecular dynamics (MD) calculations show unequivocally that intermediate phases are not equilibrium mixtures…
A new strategy for creation of radicals on an inert polymer surface has been developed. This new method combines free radical polymerization with a surface graft polymerization. The polymer film, poly(dimethylsiloxane) (PDMS), was selected as an inert model material and was immersed into acetone containing azo-bis-iso…
The reaction of [(3,5-Me(2)-C(5)H(3)N)(2)Zn(ESiMe(3))(2)] (E = Se, Te) with cadmium(II) acetate in the presence of PhESiMe(3) and P(n)Pr(3) at low temperature leads to the formation of single crystals of the ternary nanoclusters [Zn(x)()Cd(10)(-)(x)()E(4)-(EPh)(12)(P(n)()Pr(3))(4)] [E = Se, x = 1.8 (2a), 2.6 (2b); Te,…
To determine the effect of biomaterial surface chemistry on leukocyte interaction and activity at the material/tissue interface, human peripheral blood monocytes and lymphocytes were cultured on a series of poly(ethylene terephthalate) (PET)-based biomaterials. Both monocytes and lymphocytes were isolated from whole h…
We have investigated the dynamics of poly(vinly acetate) using broadband dielectric spectroscopy (DS) covering over 14 decades in frequency up to 20 GHz and high-resolution quasielastic neutron-scattering (QENS) technique. The dielectric results have been interpreted in terms of the phenomenological Kohlrausch-William…
Abstract Summary: Nylon 6/clay nanocomposites (N6CN) with different cooling histories were investigated by differential scanning calorimetry (DSC) and variable‐temperature X‐ray diffraction (XRD). Above the melting temperature, new endothermic peaks appeared in the DSC trace for N6CN. All the neat nylon 6 samples pres…
${\mathrm{Sc}}_{2}{\mathrm{W}}_{3}{\mathrm{O}}_{12}$ is known to display both negative thermal expansion and significant ${\mathrm{Sc}}^{3+}$ conductivity. Monochromatic synchrotron x-ray powder diffraction was used to study ${\mathrm{Sc}}_{2}{({\mathrm{WO}}_{4})}_{3}$ at pressures up to 10 GPa in diamond anvil cells.…
Abstract Summary: A step‐by‐step ‘all‐electrochemical’ approach has been presented to develop a multilayer structure of conducting polymers for gas sensors. The integrated structure includes a sensitive layer (polyaniline, PANI) and a conductive bridge consisting of poly(3,4‐ethylenedioxythiophene) (PEDOT). Good sensi…
We report on the refinement of anionic and cationic nanoparticles of nonstoichometric polyelectrolyte complexes (PEC) by consecutive centrifugation, which was studied by dynamic light scattering (DLS), atomic force microscopy (AFM), colloid titration and infrared spectroscopy (IR). PEC dispersions were prepared by mix…
The multicanonical basin hopping (MUBH) method, which uses a multicanonical weight in the basin hopping (BH) Monte Carlo method, was found to be very efficient for global optimization of large-scale systems such as Lennard-Jones clusters containing more than 150 atoms. We have implemented an asynchronous parallel vers…
Temperature-dependent micro-Raman studies of orthorhombic $\mathrm{Ca}\mathrm{Fe}{\mathrm{O}}_{3}$ and rhombohedral ${\mathrm{La}}_{0.33}{\mathrm{Sr}}_{0.67}\mathrm{Fe}{\mathrm{O}}_{3}$ were carried out with an aim to study the role of a lattice in the formation of the charge-disproportioned state $({\mathrm{Fe}}^{4+}…
Basic fibroblast growth factor (b-FGF) may have a role in tissue-engineered chondrogenesis. However, when applied in solution, b-FGF rapidly diffuses from the implant site. In another approach for tissue engineering, poly-lactide-based copolymers have shown promise as scaffolds for chondrocytes used to tissue engineer…
The concept of self-sensing active magnetic bearings (AMBs) is to eliminate the position sensors and estimate the position of the levitated object by measuring the bearing coil current. The main interest of this approach consists in reducing production costs and hardware complexity. Although the idea of self-sensing i…
Recently a microscopic theory for the dynamics of suspensions of long thin rigid rods was presented, confirming and expanding the well-known theory by Doi and Edwards [The Theory of Polymer Dynamics (Clarendon, Oxford, 1986)] and Kuzuu [J. Phys. Soc. Jpn. 52, 3486 (1983)]. Here this theory is put to the test by compar…
We investigate O(2) interaction with various metalloporphyrins (MnP, FeP, CoP, and NiP) using ab initio calculations based on density-functional theory. We discuss the trends in the activation barriers for the O-O bond cleavage in relation to the geometric, vibrational, electronic, and energetic properties of the syst…
The production and migration of carbon interstitials in carbon nanotubes under electron irradiation is studied experimentally and theoretically. It is shown that the threshold for displacing carbon atoms and the defect production rate strongly depend on the diameter of the nanotubes. Multiwalled nanotubes shrink by a…
When the nucleation of a stable crystalline phase directly in a supersaturated old phase is greatly retarded, the crystal nuclei might nucleate within faster-forming particles of an intermediate phase. Here we present a theoretical investigation of the kinetics of this two-step nucleation of crystals and derive genera…