Motivated by the surprising dielectric model predictions of alkali-halide ion pair potentials-of-mean-force in water due to Rashin, we reanalyze the theoretical bases of that comparison. We discuss recent, pertinent molecular simulation and integral equation results that have appeared for these systems. We implement di-electric model calculations to check the basic features of Rashin's calculat...

A hypothesis is proposed on a potential role of protein dielectricity as an unfolding factor in protein-protein interactions. It is suggested that large protein complexes and aggregation seeds can unfold target proteins by virtue of their effect on the dielectric properties of water at the protein-solvent interface. Here, similar to the effect of membrane surfaces, protein surface can cause dec...

in this paper, for the first time we have studied theoretically the effect of exchange-correlation holes around electrons in gaalas/gaas/gaalas nanostructure on the temperature-dependent dynamic dielectric function of two-dimensional electron gas by employing random phase, stls and hubbard approximations. also, we have investigated another interesting system which is coupled quantum wells struc...

Most chemistry and biochemistry occur in condensed media, in particular, aqueous solutions. Thus, the proper simulation of these processes has to take into account the solvent effects. Consequently, since the pioneer work of Born on ionic solvation, these solvent effects have been shown to be of fundamental importance for many chemical and biological processes and have then been receiving consi...

A new perspective of dielectric continuum theory is discussed. From this perspective a dynamical generalization of a boundary element algorithm is derived. This generalization is applied to compute the solvation dynamics relaxation function for chromophores in various solvents. Employing quantum chemical estimates of the chromophore’s charge distribution, the Richards–Lee estimate of its van de...

The increase in the standard partial molar volume of a symmetrical electrolyte on ion-pairing, A V, calculated from the experimental association constant at ambient pressure, the isothermal compressibility, the dielectric constant of the solvent and its pressure coefficient, is as good a measure of this quantity as values calculated from more elaborate experimental procedures, such as the press...

AbstractThe present work deals with studying the effect of solvent and temperature on solvolysis process using both pH-metric conductometric measurements. The pH conductivity different concentrations phenyl hydrazine hydrochloride in water (H2O), ethanol (EtOH) (EtOH-H2O) mixtures percentages EtOH; 30%, 50%, 70%, 100% (v/v) at temperatures from 293.15 to 308.15 K a step 5 were measured experime...

The dynamics of vibrational energy relaxation (VER) of the OH-stretching vibration of HOD in liquid-to-supercritical heavy water is studied as a function of temperature and solvent density by femtosecond mid-infrared spectroscopy. Using the dielectric constant of the fluid both, the OH-stretching absorption frequency and the VER rate, can be correlated phenomenologically with the average hydrog...

Purpose: The serum protein-binding characteristic of lamotrigine with sera from various species (horse, rat, rabbit and goat) was studied at different dielectric constants and temperatures to obtain an insight into the mechanism of interaction, evaluate the effect of dielectric constant on binding affinity, and to determine the effect of species variation on drug plasma-protein interaction. Met...