Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method

ABSTRACT: The preferential solvation parameters (dx1,3) of indomethacin (IMC) in 1,4-dioxane + water binary mixtures were derived from their thermodynamic properties by means of the inverse Kirkwood–Buff integrals method. dx1,3 is negative in water-rich and 1,4-dioxane-rich mixtures but positive in cosolvent compositions from 0.17 to 0.69 in mole fraction of 1,4-dioxane at 298.15 K. It is conjecturable that in water-rich mixtures, the hydrophobic hydration around the aromatic and methyl groups of the drug plays a relevant role in the solvation. The higher solvation by 1,4-dioxane in mixtures of similar cosolvent compositions could be mainly due to polarity effects. Finally, the preference of this drug for water in 1,4-dioxane-rich mixtures could be explained in terms of the higher acidic behavior of water molecules interacting with the hydrogen-acceptor groups present in IMC. © 2015 Taylor & Francis.

• Autores: Peña M.Á.; Delgado, Daniel Ricardo; Martínez F.
• Tipo de recurso: Article of journal
• Fecha de publicación: 2016
• Institución: Universidad Cooperativa de Colombia
• Repositorio: Repositorio UCC
• OAI Identifier: oai:repository.ucc.edu.co:20.500.12494/41689
• Acceso en línea: https://doi.org/10.14483/2248762X.8720; https://hdl.handle.net/20.500.12494/41689
• Palabra clave: Inverse problems; Mixtures; Molecules; Solubility; Solvation; 1-dioxane; Acidic behavior; Hydrogen acceptor; Hydrophobic hydration; IKBI; In-mole-fraction; Indomethacin; Preferential solvation; Binary mixtures
• Rights: closedAccess
• License: http://purl.org/coar/access_right/c_14cb