Preferential Solvation of Drugs in Binary Solvent Mixtures

Abstract

The preferential solvation of many drugs in binary solvent mixtures, as derived by means of the quasi-lattice quasi-chemical and the inverse Kirkwood-Buff integrals methods from solubility and other thermodynamic data, is reviewed. The preferences were described in terms of the local mole fractions of the solvent components in the solvation sphere of the drug molecule and their differences with respect to these mole fractions in the bulk: the preferential solvation parameters. When data were available at several temperatures these preferences were described in terms of the enthalpic and entropic contributions.

Modelling the Preferential Solvation of Ferulic Acid in {2-Propanol (1) + Water (2)} Mixtures at 298.15 K

“…The preferential solvation parameter of ferulic acid (compound 3) by 2-propanol (compound 1) in the {2-propanol (1) + water (2)} mixtures is defined as: 6,7 2,3…”

“…are obtainable from the inverse Kirkwood-Buff integrals for the individual solvent components analyzed in terms of some thermodynamic quantities as shown in the following equations: 6,7  …”

“…5As has been previously described, 6,7 in these equations κT is the isothermal compressibility of the {2-propanol (1) + water (2)} mixtures (which is calculated as an additive property by using the mixtures compositions and the reported values for neat solvents), 1 ) with respect to the water proportion in the mixtures. 6,7 Vcor is the correlation volume and r3 is the molecular radius of ferulic acid calculated by means of Eqn. (8) with NAv as the Avogadro's number.…”

“…The aim of this communication is merely to expand the results of numerical analyses in term of the preferential solvation of ferulic acid by 2-propanol (1) and water (2) in the saturated mixtures based on the inverse Kirkwood-Buff integrals. 6,7 These complementary analyses provide more information for better understanding of the dissolution process of ferulic acid in the investigated solutions.…”

Solubility modelling, solution thermodynamics and preferential solvation of hymecromone in binary solvent mixtures of N,N-dimethylformamide + methanol, ethanol or n-propanol

“…Specically, the temperature of solvent-assisted crystallization of hymecromone is almost in the temperature range from 273 K to 320 K. On the basis of the considerations mentioned above, in this work, we carry out the systematic studies on solubility of hymecromone in neat solvents and mixed solvents formed by DMF, methanol, ethanol and n-propanol at temperature range from (278.15 to 313.15) K, and correlation with different models. In the following, the inverse Kirkwood-Buff integrals (IKBI) approach [23][24][25] is applied to evaluate the preferential solvation of hymecromone in the binary mixtures analyzed.…”