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...
- 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
- Idioma:
- 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
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Peña M.Á.Delgado, Daniel ricardoMartínez F.2023-05-24T16:21:31Z2023-05-24T16:21:31Z01/01/2016https://doi.org/10.1080/00319104.2015.1115329https://www.scopus.com/inward/record.uri?eid=2-s2.0-84947911412&doi=10.1080%2f00319104.2015.1115329&partnerID=40&md5=6e9ae80ce817d365c0457e9769d302d900319104https://hdl.handle.net/20.500.12494/49552Peña M.Á.,Delgado Daniel ricardo,Martínez F..Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method.PHYS CHEM LIQ. 2016. 54. (4):p. 462-474ABSTRACT: 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.co462-474Taylor and Francis Ltd.1-DIOXANEACIDIC BEHAVIORBINARY MIXTURESHYDROGEN ACCEPTORHYDROPHOBIC HYDRATIONIKBIINDOMETHACININ-MOLE-FRACTIONINVERSE PROBLEMSMIXTURESMOLECULESPREFERENTIAL SOLVATIONSOLUBILITYSOLVATIONPreferential 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/openAccesshttp://purl.org/coar/access_right/c_abf2Publication20.500.12494/49552oai:repository.ucc.edu.co:20.500.12494/495522024-08-20 16:22:02.089metadata.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 1-DIOXANE ACIDIC BEHAVIOR BINARY MIXTURES HYDROGEN ACCEPTOR HYDROPHOBIC HYDRATION IKBI INDOMETHACIN IN-MOLE-FRACTION INVERSE PROBLEMS MIXTURES MOLECULES PREFERENTIAL SOLVATION SOLUBILITY SOLVATION |
| 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 |
1-DIOXANE ACIDIC BEHAVIOR BINARY MIXTURES HYDROGEN ACCEPTOR HYDROPHOBIC HYDRATION IKBI INDOMETHACIN IN-MOLE-FRACTION INVERSE PROBLEMS MIXTURES MOLECULES PREFERENTIAL SOLVATION SOLUBILITY SOLVATION |
| topic |
1-DIOXANE ACIDIC BEHAVIOR BINARY MIXTURES HYDROGEN ACCEPTOR HYDROPHOBIC HYDRATION IKBI INDOMETHACIN IN-MOLE-FRACTION INVERSE PROBLEMS MIXTURES MOLECULES PREFERENTIAL SOLVATION SOLUBILITY SOLVATION |
| 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 |
2023 |
| dc.date.issued.none.fl_str_mv |
01/01/2016 |
| dc.date.accessioned.none.fl_str_mv |
2023-05-24T16:21:31Z |
| dc.date.available.none.fl_str_mv |
2023-05-24T16:21:31Z |
| dc.type.none.fl_str_mv |
Artículo |
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http://purl.org/coar/resource_type/c_2df8fbb1 |
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http://purl.org/coar/resource_type/c_6501 |
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http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| dc.type.driver.none.fl_str_mv |
info:eu-repo/semantics/article |
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http://purl.org/redcol/resource_type/ART |
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info:eu-repo/semantics/publishedVersion |
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http://purl.org/coar/resource_type/c_6501 |
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publishedVersion |
| dc.identifier.none.fl_str_mv |
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 |
| dc.identifier.issn.spa.fl_str_mv |
00319104 |
| dc.identifier.uri.none.fl_str_mv |
https://hdl.handle.net/20.500.12494/49552 |
| dc.identifier.bibliographicCitation.spa.fl_str_mv |
Peña M.Á.,Delgado Daniel ricardo,Martínez F..Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method.PHYS CHEM LIQ. 2016. 54. (4):p. 462-474 |
| url |
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 |
| identifier_str_mv |
00319104 Peña M.Á.,Delgado Daniel ricardo,Martínez F..Preferential solvation of indomethacin in 1,4-dioxane + water mixtures according to the inverse Kirkwood–Buff integrals method.PHYS CHEM LIQ. 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/openAccess |
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http://purl.org/coar/access_right/c_abf2 |
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openAccess |
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http://purl.org/coar/access_right/c_abf2 |
| dc.format.extent.spa.fl_str_mv |
462-474 |
| 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 |
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bdigital@metabiblioteca.com |
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1814247214295285760 |