the complexation reactions between tl+ and pb2+ ions and crown ethers 12-crown-4(12c4), 15-crown-5 (15c5), benzo-15-crown-5 (b15c5), 18-crown-6 (18c6), dicyclohexyl-18-crown-6 (dc18c6) and aza-18-crown-6 (a18c6) were studied in 90% acetonitrile and 90% ethanol solutions at 25 °c, using an a.c. polarographic technique. the stoichiometry and stability of the complexes were determined by monitorin...

The solvation of the ruthenium(II) tris(bipyridine) ion ([Ru(bpy)3](2+)) is investigated with molecular dynamics simulations of lithium halide solutions in polar solvents. The anion distribution around the [Ru(bpy)3](2+) complex exhibits a strong solvent dependence. In aqueous solution, the iodide ion forms a solvent shared complex with [Ru(bpy)3](2+), but not in the other solvents. Between Cl(...

The proper estimation of the influence of the many-body dynamic solvent microstructure on a pairwise electrostatic interaction (PEI) at the protein-solvent interface is very important for solving many biophysical problems. In this work, the PEI energy was calculated for a system that models the interface between a protein and an aqueous solvent. The concept of nonlocal electrostatics for interf...

t1easurements of the influence of solvent on the rate of photochemical isomerization are described. The results are discussed in terms of models of one-dimensional activated barrier crossing. The possible influence of a frequency dependent friction is suggested for isomerizations with sharp barriers. BARRIER CROSSING IN SOLUTION

In a combined experimental and computational study of a group of para-substituted azobenzenes, the effects of substituents and solvent on the kinetics of thermal cis-to-trans isomerisation have been examined and the success of DFT calculations in predicting kinetic parameters assessed. Mono-substituted species are predicted to isomerise by inversion in both non-polar and polar solvent, whereas ...

We perform a statistical analysis of solvent accessibility and hydrophobicity profiles of a representative set of proteins. The joint probability distribution is well fitted to a multivariable Gaussian, which takes a relatively simple form when expressed in terms of the Fourier transforms of the profiles. This allows us to quantify the asymmetric manner by which these profiles influence each ot...

  Objective(s): It has been suggested that the efficiency of dry poder inhaler (DPI) is generally low. Therefore, the aim of the present research work was to use the solvent treatment of the carrier in DPIformulations to see the possibility of inducing desirable characteristics.   Materials and Methods: Lactose sieve fractions of 63-90 μm were submerged in ethanol or 80% v/v etha...

A novel hot embossing/low temperature ethanol solvent bonding method for the fabrication of polymethylmethacrylate (PMMA) field flow fractionation devices has been developed. The separation channel on a PMMA substrate was generated by a hot embossing process without vacuum. Special temperature-pressure profiles were used to analyze the influence of the hot embossing parameters. After the hot em...

Specific rates of solvolysis in hydroxylic solvents available for the solvolysis of 2-thiophenesulfonyl chloride and phenylmethanesulfonyl chloride are supplemented by determining the values in fluoroalcohol-containing solvents. The data sets are then correlated using the extended Grunwald-Winstein equation. For both substrates, it is found that a single correlation controls the influence of so...