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...

Full description

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

Idioma:

id	COOPER2_f15d829b5b3d085a1b3d5617d2b0704d
oai_identifier_str	oai:repository.ucc.edu.co:20.500.12494/41689
network_acronym_str	COOPER2
network_name_str	Repositorio UCC
repository_id_str
spelling	Peña M.Á.Delgado, Daniel RicardoMartínez F.2021-12-16T22:15:42Z2021-12-16T22:15:42Z2016https://doi.org/10.14483/2248762X.872000319104https://hdl.handle.net/20.500.12494/41689Peña MÁ,Delgado DR,Martínez F. Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method. Phys Chem Liquids. 2016. 54. (4):p. 462-474. .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.0000-0002-4835-9739danielr.delgado@campusucc.edu.co474-462Taylor and Francis Ltd.Inverse problemsMixturesMoleculesSolubilitySolvation1-dioxaneAcidic behaviorHydrogen acceptorHydrophobic hydrationIKBIIn-mole-fractionIndomethacinPreferential solvationBinary mixturesPreferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals methodArtículohttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/publishedVersionPHYS CHEM LIQinfo:eu-repo/semantics/closedAccesshttp://purl.org/coar/access_right/c_14cbPublication20.500.12494/41689oai:repository.ucc.edu.co:20.500.12494/416892024-08-20 16:21:48.267metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.com
dc.title.spa.fl_str_mv	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
title	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
spellingShingle	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method Inverse problems Mixtures Molecules Solubility Solvation 1-dioxane Acidic behavior Hydrogen acceptor Hydrophobic hydration IKBI In-mole-fraction Indomethacin Preferential solvation Binary mixtures
title_short	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
title_full	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
title_fullStr	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
title_full_unstemmed	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
title_sort	Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method
dc.creator.fl_str_mv	Peña M.Á. Delgado, Daniel Ricardo Martínez F.
dc.contributor.author.none.fl_str_mv	Peña M.Á. Delgado, Daniel Ricardo Martínez F.
dc.subject.spa.fl_str_mv	Inverse problems Mixtures Molecules Solubility Solvation 1-dioxane Acidic behavior Hydrogen acceptor Hydrophobic hydration IKBI In-mole-fraction Indomethacin Preferential solvation Binary mixtures
topic	Inverse problems Mixtures Molecules Solubility Solvation 1-dioxane Acidic behavior Hydrogen acceptor Hydrophobic hydration IKBI In-mole-fraction Indomethacin Preferential solvation Binary mixtures
description	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.
publishDate	2016
dc.date.issued.none.fl_str_mv	2016
dc.date.accessioned.none.fl_str_mv	2021-12-16T22:15:42Z
dc.date.available.none.fl_str_mv	2021-12-16T22:15:42Z
dc.type.none.fl_str_mv	Artículo
dc.type.coar.fl_str_mv	http://purl.org/coar/resource_type/c_2df8fbb1
dc.type.coar.none.fl_str_mv	http://purl.org/coar/resource_type/c_6501
dc.type.coarversion.none.fl_str_mv	http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.driver.none.fl_str_mv	info:eu-repo/semantics/article
dc.type.redcol.none.fl_str_mv	http://purl.org/redcol/resource_type/ART
dc.type.version.none.fl_str_mv	info:eu-repo/semantics/publishedVersion
format	http://purl.org/coar/resource_type/c_6501
status_str	publishedVersion
dc.identifier.none.fl_str_mv	https://doi.org/10.14483/2248762X.8720
dc.identifier.issn.spa.fl_str_mv	00319104
dc.identifier.uri.none.fl_str_mv	https://hdl.handle.net/20.500.12494/41689
dc.identifier.bibliographicCitation.spa.fl_str_mv	Peña MÁ,Delgado DR,Martínez F. Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method. Phys Chem Liquids. 2016. 54. (4):p. 462-474. .
url	https://doi.org/10.14483/2248762X.8720 https://hdl.handle.net/20.500.12494/41689
identifier_str_mv	00319104 Peña MÁ,Delgado DR,Martínez F. Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method. Phys Chem Liquids. 2016. 54. (4):p. 462-474. .
dc.relation.ispartofjournal.spa.fl_str_mv	PHYS CHEM LIQ
dc.rights.accessrights.none.fl_str_mv	info:eu-repo/semantics/closedAccess
dc.rights.coar.none.fl_str_mv	http://purl.org/coar/access_right/c_14cb
eu_rights_str_mv	closedAccess
rights_invalid_str_mv	http://purl.org/coar/access_right/c_14cb
dc.format.extent.spa.fl_str_mv	474-462
dc.publisher.spa.fl_str_mv	Taylor and Francis Ltd.
institution	Universidad Cooperativa de Colombia
repository.name.fl_str_mv	Repositorio Institucional Universidad Cooperativa de Colombia
repository.mail.fl_str_mv	bdigital@metabiblioteca.com
_version_	1814247188863123456

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

Publicaciones similares