Reorientational relaxation and rotational–translational coupling in water clusters in a d.c. external electric field

Molecular dynamics simulations have been carried out for small water clusters (N=16, 32, 64) in a d.c. electric field at T=200 K. It was shown that for relatively weak fields, there was a significant decrease of reorientational and structural relaxation times for all cluster sizes examined. Regarding the molecular reorientational motions, in the strong field regime, a decoupling of tumbling and spinning librations was observed. Reorientational relaxation times of the dipole and vector joining the two hydrogen atoms were found to follow different relaxation laws, with the former decreasing and the latter increasing with electric field increase. These trends were qualitatively explained by invoking the Debye model with field-dependent friction for dipole librations and the symmetric double-well for spinning rotations on a plane perpendicular to the field axis. Finally, the interdependence of the reorientation on the translational modes of the cluster was indicated, with the translationally slow molecules being rotationally slow as well and vice versa.     

Oil Migration in Chocolate

Oil migration in filled chocolates limits shelf life due to texture changes and loss of visual appeal. Spatial and temporal oil concentration changes of a two-layer chocolate and peanut butter filling system, which models a filled chocolate, were monitored by magnetic resonance imaging. Formulations of chocolate varied with respect to particle size, milk fat content and emulsifier level. Sorption-time experimental data was used to establish the best fit diffusion coefficient for a Fickian diffusion model. On the basis of the comparison of spatial experimental data to the model, Fickian diffusion alone does not account for oil migration. Authors' address: Michael J. McCarthy, Department of Food Science and Technology, University of California, One Shields Avenue, Davis, CA 95616, USA     

Off-shell effects in quasielastic electron nucleus scattering

Using the Ward-Takahashi identity, on-shell condition, bound Dirac equation and off-shell expansion, a reduced version of half off-shell virtual photon nucleon vertex has been suggested. The vertex are decomposed into several different order terms: the on-shell terms, first and second off-shell terms. The off-shell behaviour of the form factors is discussed in the one meson loop model. Using the reduced vertex and parametrized off-shell form factors the quasielastic response functions are calculated for several nuclei at ¦q¦–k_f and for⁵⁶Fe at large ¦q¦ up to 1.14 GeV/c and at ?q²=0.9 (GeV/c)². The Coulomb sums are evaluated and a comparison of the theoretical prediction with data is given. The off-shell electron nucleon cross section is calculated and compared with the “cc1” off-shell extrapolation.     

Polyamide Layer Chromatography. VIII. Preparation of Polyamide Layer on Poly(ethylene terephthalate) Film and its Application to Aromatic Nitro Compounds

Poly(ethylene terephthalate) film was used as supporter for preparation of polyamide layer. The most convenient method of preparation was described. This layer can be cut into any size and its sensitivity is higher than the glass plate supported layer. Twenty aromatic nitro compounds were used to show the behavior of polyester film based polyamide layer.     

Antihydrophobic solvent effects: an experimental probe for the hydrophobic contribution to enzyme-inhibitor binding

The hydrophobic component to the binding affinities of one acyclic phosphinate (4) and three macrocyclic phosphonamidate inhibitors (1-3) to the zinc peptidase thermolysin was probed by varying the solvent composition. Increasing the percentage of ethanol in the buffer solution over the range 0-9% increases the inhibition constants, K(i), by up to an order of magnitude. This approach represents an experimental method for distinguishing solvation from conformational or other effects on protein-ligand binding. The size of the "antihydrophobic effect" is correlated with the amount of hydrophobic surface area sequestered from solvent on association of the inhibitor and enzyme, although it is attenuated from that calculated from the surface tension of ethanol-water mixtures. The results are consistent with the Lum-Chandler-Weeks explanation for the size dependence of the hydrophobic effect.     

Liquid chromatography-diode array detection-electrospray ionisation mass spectrometry/nuclear magnetic resonance analyses of the anti-hyperglycemic flavonoid extract of Genista tenera. Structure elucidation of a flavonoid-C-glycoside

The anti-hyperglycemic flavonoid extract obtained from Genista tenera was first studied by liquid chromatography (LC)-diode array detection (DAD) which showed the presence of two major compounds. One of them was identified as genistein-7-O-glucoside. Luteolin-7-O-glucoside was detected as a minor constituent, while luteolin-7,3'-di-O-glucoside and rutin were found in trace amounts. LC-DAD-ESI-MS and NMR were used to confirm the structure of these compounds and allowed the elucidation of the structure of the unknown major compound, which is the flavonoid 5,7,4'-trihydroxyisoflavone-8-C-glucoside.