109Ag chemical shift measurements of 0.02 up to 3 molar solutions of AgNOa, AgCl, and AgBr in solvent mixtures of H2O (W) and ethylamine (ea) were performed. The extremely long relaxation times T\ and T2 were determined with new techniques. The Ag+-ion in solvent mixtures of W and ea shows a strongly selective solvation by ea. The 109Ag chemical shift of the solvate complex [Ag ea2]+ surrounded...

The solvation energy and entropy at infinite dilution consist of a solute-solvent term and a solvent reorganization term representing the contributions of changes in solvent structure upon solute insertion. In the standard, homogeneous treatment of solutions, changes in solvent structure are expressed through derivatives of the homogeneous pair correlation function, which are very difficult to ...

In this study we investigated the interaction behavior between thirteen different small peptides and a hydrophobic surface using three progressively more complex methods of representing solvation effects: a united-atom implicit solvation method [CHARMM 19 force field (C19) with Analytical Continuum Electrostatics (ACE)], an all-atom implicit solvation method (C22 with GBMV), and an all-atom exp...

The solvation of infinitely dilute solutes in supercritical solvents is illustrated by integral equation calculations, according to a recently proposed molecularbased formalism that characterizes the solvent environment around individual species and connects it to the resulting macroscopic solvation behavior. The formalism is applied to the analysis of the solubility enhancement of nonelectroly...

effects of temperature and percentage of organic modifier were studied on retention and selectivity in rp-hplc using solvation parameter model. the system constants were determined by multiple linear regression analysis from experimental values in the retention factor for a group of different solutes with known descriptors by computer using the program spss/pc. the experimental results showed t...

effects of temperature and percentage of organic modifier were studied on retention and selectivity in rp-hplc using solvation parameter model. the system constants were determined by multiple linear regression analysis from experimental values in the retention factor for a group of different solutes with known descriptors by computer using the program spss/pc. the experimental results showed t...

Recent calorimetric measurements of the solvation enthalpies of some dipeptide analogs confirm our earlier prediction that the principle of group additivity is not valid for the interaction of the peptide group with water. We examine the consequences for understanding the properties of peptide solvation. A major consequence is that the current value of the peptide-solvation enthalpy, which is a...

Resonant-pump polarizability response spectroscopy (RP-PORS) is based on an optical heterodyne detected transient grating (OHD-TG) method with an additional resonant pump pulse. In RP-PORS, the resonant pump pulse excites the solute-solvent system and the subsequent relaxation of the solute-solvent system is monitored by the OHD-TG spectroscopy. RP-PORS is shown to be an excellent experimental ...

Resonant-pump polarizability response spectroscopy (RP-PORS) is based on an optical heterodyne detected transient grating (OHD-TG) method with an additional resonant pump pulse. In RP-PORS, the resonant pump pulse excites the solute–solvent system and the subsequent relaxation of the solute–solvent system is monitored by the OHD-TG spectroscopy. RP-PORS is shown to be an excellent experimental ...