Cryptate inclusion complexes, effects on solute-solute and solute-solvent interactions and on ionic reactivity

Solvation of diclofenac in water from atomistic molecular dynamics simulations - interplay between solute-solute and solute-solvent interactions.

The solubility-permeability relationship of active pharmaceutical ingredients determines the efficacy of their usage. Diclofenac (DCL), which is a widely used nonsteroidal anti-inflammatory drug, is characterized by extremely good membrane permeability, but low water solubility limiting drug effectiveness. The present research focuses on the fundamental explanation of this limitation using the ...

Effects of solvent and solute drag on transmembrane diffusion

The present study compares and quantitates both solvent drag and solute drag forces in a system with both heteropore and homopore membranes. It is shown that tracer solute permeability can be increased if solution flow or driver solute flux is in the direction of tracer diffusion. Either force can decrease tracer permeability if the force can decrease tracer permeability if the force is opposit...

Effects of Solute-Solute Interactions on Protein Stability Studied Using Various Counterions and Dendrimers

Much work has been performed on understanding the effects of additives on protein thermodynamics and degradation kinetics, in particular addressing the Hofmeister series and other broad empirical phenomena. Little attention, however, has been paid to the effect of additive-additive interactions on proteins. Our group and others have recently shown that such interactions can actually govern prot...

Dynamics around solutes and solute-solvent complexes in mixed solvents.

Ultrafast 2D-IR vibrational echo experiments, IR pump-probe experiments, and FT-IR spectroscopy of the hydroxyl stretch of phenol-OD in three solvents, CCl4, mesitylene (1, 3, 5 trimethylbenzene), and the mixed solvent of mesitylene and CCl4 (0.83 mole fraction CCl4), are used to study solute-solvent dynamics via observation of spectral diffusion. Phenol forms a complex with Mesitylene. In the ...

Elementary solute-solvent interactions and the photophysical properties of photoacids