The solubility of KNO3 in the mixed solvent (water 85%+methanol 15%) were determined by using solvent evaporating method at different temperatures (25, 30, 40, 50, 60 ;C). In addition the equilibrium constant of ion pair formation, KIP, for K+NO3 – ion-pair on the basis of Fuoss contact ion pair model was calculated. Upon choosing the extended Debye-Hückel model for estimating the mean activity...

using the mixed solvents, (water +ethanol + propanol), the solubility of cdf2 was determined byevaporating method at 25° c. the results showed that the sollbility, s, of cdf2 decreases bydecreasing the dielectric constant of the mixed solvent .once the solubility of cdf2 was determined,the concentration solubility product, ksp(c)=4s3, was calculated .furthermore ,by estimating the meanactivity ...

We investigate theoretically charge regulation of weakly dissociating polyacids by potentiometric titration their aqueous solutions. By treating deprotonation and cation binding to the as reversible reactions in our model, ionization constant acid groups along polyacid chain is adjusted from its intrinsic value electrostatic correlations. If correlations are modeled with a Debye-Hückel free ene...

Pharmacophore models play an essential role in drug discovery. Generating pharmacophore models which encode accurate molecular recognition features are highly dependent on properly defined annotations. Simplistic or ill-defined pharmacophore annotations which do not capture subtle electronic or geometric effects lead to many inaccuracies. SMARTS patterns which are often used to specify annotati...

This work discusses the introduction of concentration dependency relative permittivity in context activity coefficient models at different stages derivation models. We evaluate an experimental correlation and Michelsen–Mollerup–Breil model for order to assess impact using these both Debye–Hückel Born equations. Our results show that effects introducing levels are significant quantitative. Using...

The physiological ligands for Na,K-ATPase (the Na,K-pump) are ions, and electrostatic forces, that could be revealed by their ionic strength dependence, are therefore expected to be important for their reaction with the enzyme. We found that the affinities for ADP3-, eosine2-, p-nitrophenylphosphate, and V(max) for Na,K-ATPase and K+-activated p-nitrophenylphosphatase activity, were all decreas...