Materials Literature
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The characteristics of local motion are explored by molecular dynamics simulations in a series of AB(2)-type dendrimer melts. Systems of generations 3-5 were simulated in a wide temperature range, allowing the assessment of effects associated with molecular size, proximity to the detected glasslike transitions, and th…
A n-butanol-soluble fraction of an ethanolic extract from the roots of Symplocos chinensis showed cytotoxic activity against several cancer cell lines. Bioassay-guided purification led to the isolation and characterization of eight new triterpenoid saponins, symplocososides L-S (1-8). The structures of 1-8 were elucid…
The hypothesis that supercooled water consists of two distinct liquid phases has been explored on the basis of their ability to hydrate nonpolar (Xe) and electrolytic (LiCl) species. Xe incorporated in the bulk of amorphous solid water survives in the deeply supercooled regime above the glass-transition temperature of…
The structure of natural fresnoite, Ba2TiSi2O8, from the sanbornite deposits of eastern Fresno County, California, has been solved and refined as an incommensurate structure in five-dimensional superspace. The structure is tetragonal, superspace group P4bm(alpha, alpha, 1/2)(-alpha, alpha, 1/2)0gg, cell parameters a=8…
The adsorption, growth and overlayer formation of ${\mathrm{C}}_{60}$ fullerene molecules on strain-relief patterns induced by 2 monolayers of Ag on Pt(111) (Ag(2ML)/Pt(111)) is investigated by means of scanning tunneling microscopy. The Ag(2ML)/Pt(111) template surface consists of periodic crossing dislocations separ…
Recently, it becomes possible to fabricate bulk metals having ultrafine grained or nanocrystalline structures of which grain size is in nano-meter dimensions. One of the promising ways to realize bulk nanostructured metals is severe plastic deformation (SPD) above logarithmic equivalent strain of 4. We have developed…
The ordered structure of Cr(2)N precipitates in high-nitrogen austenitic steel was investigated utilizing high-resolution neutron powder diffractometry (HRPD). On the basis of the Rietveld refinement of neutron diffraction patterns, the ordered Cr2N superstructure was confirmed to be trigonal (space group P31m), with…
Dense gamma-Al(2)O(3)condensates, with residual stress up to 3 GPa and ranging from nanometer to an unexpected micrometer size, were formed by pulsed laser ablation on Al target under oxygen background gas for a very rapid heating and cooling effect. Analytical electron microscopic observations indicated such nanopart…
Reversible aggregation of spheres is simulated using a novel method in which clusters of bound spheres diffuse collectively with a diffusion coefficient proportional to their radius. It is shown that the equilibrium state is the same as with other simulation techniques, but with the present method more realistic kinet…
Exchange coupling across the cyanide bridge in a series of novel cyanometalate complexes with CuII-NC-MIII (M = Cr and low-spin Mn, Fe) fragments has been studied using the broken-symmetry DFT approach and an empirical model, which allows us to relate the exchange coupling constant with sigma-, pi-, and pi*-type spin…
We analyze one thousand independent equilibrium trajectories of a system of 155 Lennard-Jones particles to separate in a model-free approach the role of temperature and the role of the explored potential energy landscape basin depth in the particle dynamics. We show that the diffusion coefficient D can be estimated as…
We focus on the assignment of function to and elucidation of structure-function relationships for a member of the mechanistically diverse enolase superfamily encoded by the Bradyrhizobium japonicum genome (bll6730; GI:27381841). As suggested by sequence alignments, the active site contains the same functional groups f…
Multifunctional Au(core)Co(3)O(4shell) nanocubes were synthesized through the introduction of chloroauric acid (HAuCl(4)) into a typical hydrothermal system after a solvothermal process was completed to form metastable Co(3)O(4) hollow nanospheres in the presence of sodium dodecyl benzenesulfonate (SDBS), which served…
Original experiments of dynamic mechanical analysis and small angle x-ray scattering on a deformed amorphous polymer below its glass transition temperature are reported. The mechanical treatment reveals high mobility zones induced by shearing and leads to a drastic increase in the molecular mobility of the system. The…
A class of new dendrimers consisting of hydrophobic oligo(p-phenylene vinylene) core branches and hydrophilic oligo(ethylene oxide) terminal chains was synthesized. These amphiphilic dendritic molecules are highly luminescent and exhibit critical micellization behaviors. They also show a lower critical solution temper…
In this contribution, we have studied structural and photophysical properties of aggregated CdS quantum dots (QDs) capped with 2-mercaptoethanol in aqueous medium. The hydrodynamic diameter of the nanostructures in aqueous solution was found to be approximately 160 nm with the dynamic light scattering (DLS) technique,…
One of the basic characteristics of the glass transition, the Prigogine-Defay ratio, connecting jumps of the thermal expansion coefficient, isothermal compressibility, and isobaric specific heat capacity in vitrification is rederived in the framework of the thermodynamics of irreversible processes employing the order-…
We investigate the nature of the hidden order parameter in the ordered phase of NpO2, which had been identified with a staggered arrangement of Gamma5 magnetic multipoles. By analyzing the existing experimental data, we show that the most likely driving order parameter is not provided by octupoles, as usually assumed,…
[Fe(TCNE)(NCMe)2][FeCl4] is isolated from the reaction of TCNE and FeCl2(NCMe)2 and orders as a ferrimagnet below 90 K and is the initial member of a new class of magnets. It is the first metal-TCNE magnet with direct bonding between metal ion and [TCNE]*- whose structure has been determined, and it possesses a novel…
The effect of CH and CD quenching on the luminescence lifetime of Er(3+) Nd(3+) and Yb(3+) in the Cs[Ln(HFA)(4)] system has been quantified, and we have shown that for Er(3+) ions the quenching is dominated by the nearest neighbor CH oscillators, whereas for Nd(3+) ions the roles of more distant CH oscillators and nea…