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: 2023
• Institución: Universidad Cooperativa de Colombia
• Repositorio: Repositorio UCC
• OAI Identifier: oai:repository.ucc.edu.co:20.500.12494/49552
• Acceso en línea: https://doi.org/10.1080/00319104.2015.1115329; https://www.scopus.com/inward/record.uri?eid=2-s2.0-84947911412&doi=10.1080%2f00319104.2015.1115329&partnerID=40&md5=6e9ae80ce817d365c0457e9769d302d9; https://hdl.handle.net/20.500.12494/49552
• Palabra clave: 1-DIOXANE; ACIDIC BEHAVIOR; BINARY MIXTURES; HYDROGEN ACCEPTOR; HYDROPHOBIC HYDRATION; IKBI; INDOMETHACIN; IN-MOLE-FRACTION; INVERSE PROBLEMS; MIXTURES; MOLECULES; PREFERENTIAL SOLVATION; SOLUBILITY; SOLVATION
• Rights: openAccess
• License: http://purl.org/coar/access_right/c_abf2