Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation

Se informa la solubilidad en equilibrio de la sulfadiazina (SD) en mezclas de {etilenglicol (EG) (1) + agua (2)} a temperaturas de (278,15 a 318,15) K. La solubilidad de la fracción molar de SD ( x 3 ) aumenta con el aumento de temperatura y también aumenta con el aumento de la proporción de EG. Var...

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Autores:: Cruz González, Ana María
Vargas Santana, Martha Sofía
Ortiz, Claudia Patricia
Cerquera, Néstor Enrique
Delgado, Daniel Ricardo
Martínez, Fleming
Jouyban, Abolghasem
Acree Jr, William Eugene

Tipo de recurso:: Article of journal

Fecha de publicación:: 2021

Institución:: Universidad Cooperativa de Colombia

Repositorio:: Repositorio UCC

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network_name_str	Repositorio UCC
repository_id_str
dc.title.spa.fl_str_mv	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
title	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
spellingShingle	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation Sulfadiazina {etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree IKBI Solvatación preferencial Sulfadiazine solvation {ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential IKBI
title_short	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
title_full	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
title_fullStr	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
title_full_unstemmed	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
title_sort	Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation
dc.creator.fl_str_mv	Cruz González, Ana María Vargas Santana, Martha Sofía Ortiz, Claudia Patricia Cerquera, Néstor Enrique Delgado, Daniel Ricardo Martínez, Fleming Jouyban, Abolghasem Acree Jr, William Eugene
dc.contributor.author.none.fl_str_mv	Cruz González, Ana María Vargas Santana, Martha Sofía Ortiz, Claudia Patricia Cerquera, Néstor Enrique Delgado, Daniel Ricardo Martínez, Fleming Jouyban, Abolghasem Acree Jr, William Eugene
dc.subject.spa.fl_str_mv	Sulfadiazina {etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree IKBI Solvatación preferencial
topic	Sulfadiazina {etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree IKBI Solvatación preferencial Sulfadiazine solvation {ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential IKBI
dc.subject.other.spa.fl_str_mv	Sulfadiazine solvation {ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential IKBI
description	Se informa la solubilidad en equilibrio de la sulfadiazina (SD) en mezclas de {etilenglicol (EG) (1) + agua (2)} a temperaturas de (278,15 a 318,15) K. La solubilidad de la fracción molar de SD ( x 3 ) aumenta con el aumento de temperatura y también aumenta con el aumento de la proporción de EG. Varía de 4.81 × 10 −6 en agua pura a 5.32 × 10 −4en EG puro a 298,15 K. El comportamiento de solubilidad se correlacionó con el modelo log-lineal extendido de Yalkowsky, el modelo de Jouyban-Acree y el modelo de Jouyban-Acree-van't Hoff y las desviaciones porcentuales medias obtenidas son 43,6%, 7,0% y 7,1%, respectivamente. A partir de la variación de la solubilidad con la temperatura, se realizó el análisis termodinámico aparente de disolución y mezcla en todas las mezclas y disolventes puros. Basado en las integrales inversas de Kirkwood-Buff (IKBI) se observa que SD se solvata preferentemente con agua en mezclas ricas en agua (0,00 < x 1 <0,24) pero preferentemente se solvata con EG en el intervalo (0,24 < x 1 <1,00).
publishDate	2021
dc.date.accessioned.none.fl_str_mv	2021-01-21T16:50:03Z
dc.date.available.none.fl_str_mv	2021-01-21T16:50:03Z 2022-12-31
dc.date.issued.none.fl_str_mv	2021-02-01
dc.type.none.fl_str_mv	Artículo
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dc.identifier.issn.spa.fl_str_mv	01677322
dc.identifier.uri.spa.fl_str_mv	https://doi.org/10.1016/j.molliq.2020.115058
dc.identifier.uri.none.fl_str_mv	https://hdl.handle.net/20.500.12494/32737
dc.identifier.bibliographicCitation.spa.fl_str_mv	Cruz et al. Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation, Journal of Molecular Liquids Volume 323, 1 February 2021, 115058
identifier_str_mv	01677322 Cruz et al. Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation, Journal of Molecular Liquids Volume 323, 1 February 2021, 115058
url	https://doi.org/10.1016/j.molliq.2020.115058 https://hdl.handle.net/20.500.12494/32737
dc.relation.isversionof.spa.fl_str_mv	https://bbibliograficas.ucc.edu.co:2152/science/article/pii/S0167732220373001#!
dc.relation.ispartofjournal.spa.fl_str_mv	Journal of Molecular Liquids
dc.relation.references.spa.fl_str_mv	J.T. Rubino Cosolvents and cosolvency J.C. Swarbrick, J. Boylan (Eds.), Encyclopedia of Pharmaceutical Technology, vol. 3, Marcel Dekker, New York (NY) (1988), pp. 375-398 Y. Marcus On the preferential solvation of drugs and PAHs in binary solvent mixtures J. Mol. Liq., 140 (2008), pp. 61-67 A. Jouyban Handbook of Solubility Data for Pharmaceuticals CRC Press, Boca Raton (FL) (2010) A. Avdeef Absorption and Drug Development, Solubility, Permeability and Charge State Wiley-Interscience, Hoboken (NJ) (2003) Y. Marcus Preferential solvation in mixed solvents P.E. Smith, E. Matteoli, J.P. O’Connell (Eds.), Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics, CRC Press, Taylor & Francis Group, Boca Raton (FL) (2013), pp. 65-92 S. Gelone, J.A. O’Donell Anti-infectives A.R. Gennaro (Ed.), Remington: The Science and Practice of Pharmacy (21st edn.), Lippincott Williams & Wilkins, Philadelphia (PA) (2005) P.H. Elworthy, E.C. Worthington The solubility of sulphadiazine in water–dimethylformamide mixtures J. Pharm. Pharmacol., 20 (1968), pp. 830-835 D.R. Delgado, F. Martínez Solution thermodynamics of sulfadiazine in ethanol + water mixtures J. Mol. Liq., 187 (2013), pp. 99-105 D.R. Delgado, F. Martínez Solubility and solution thermodynamics of some sulfonamides in 1-propanol + water mixtures J. Solut. Chem., 43 (2014), pp. 836-852 M.M. Muñoz, D.R. Delgado, M.A. Peña, A. Jouyban, F. Martínez Solubility and preferential solvation of sulfadiazine, sulfamerazine and sulfamethazine in propylene glycol + water mixtures at 298.15 K J. Mol. Liq., 204 (2015), pp. 132-136 S. Akay, B. Kayan, D. Cunbin, J. Wang Research of sulfadiazine using subcritical water and water + alcohol mixtures as the solvent: solubility and thermodynamic property J. Mol. Liq., 253 (2018), pp. 270-276 H. Yue, Y. Zhao, X. Ma, J. Gong Ethylene glycol: properties, synthesis, and applications Chem. Soc. Rev., 41 (2012), pp. 4218-4244 H.M. Trimble Solubilities of salts in ethylene glycol and in its mixtures with water Ind. Eng. Chem., 23 (1931), pp. 165-167 A. Osol, C.C. Pines Solubility of iodine in glycol-water solutions J. Am. Pharm. Assoc. Sci. Ed., 41 (1952), pp. 634-637 F. Serpa, R. Vidal, J. Filho, C. Dariva, E. Franceschi, A. Santos, M. Heredia, G. Banda, C. Figueiredo, J. Nascimento, J. Ciambelli Solubility and Thermodynamic Properties of Carbon Dioxide in MEG/Water Mixtures, III Iberoamerican Conference on Supercritical Fluids Cartagena de Indias, Colombia (2013) W. Li, H. Lin, N. Song, G. Chen, X. Li, H. Zhao Equilibrium solubility investigation and thermodynamic aspects of biologically active gimeracil (form P) dissolved in aqueous co-solvent mixtures of isopropanol, N,N-dimethylformamide, ethylene glycol and dimethyl sulfoxide J. Chem. Thermodyn., 133 (2019), pp. 19-28
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dc.publisher.spa.fl_str_mv	Elsevier B.V. Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Industrial, Neiva
dc.publisher.program.spa.fl_str_mv	Ingeniería Industrial
dc.publisher.place.spa.fl_str_mv	Neiva
institution	Universidad Cooperativa de Colombia
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spelling	Cruz González, Ana MaríaVargas Santana, Martha SofíaOrtiz, Claudia PatriciaCerquera, Néstor EnriqueDelgado, Daniel RicardoMartínez, FlemingJouyban, AbolghasemAcree Jr, William Eugene3232021-01-21T16:50:03Z2022-12-312021-01-21T16:50:03Z2021-02-0101677322https://doi.org/10.1016/j.molliq.2020.115058https://hdl.handle.net/20.500.12494/32737Cruz et al. Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation, Journal of Molecular Liquids Volume 323, 1 February 2021, 115058Se informa la solubilidad en equilibrio de la sulfadiazina (SD) en mezclas de {etilenglicol (EG) (1) + agua (2)} a temperaturas de (278,15 a 318,15) K. La solubilidad de la fracción molar de SD ( x 3 ) aumenta con el aumento de temperatura y también aumenta con el aumento de la proporción de EG. Varía de 4.81 × 10 −6 en agua pura a 5.32 × 10 −4en EG puro a 298,15 K. El comportamiento de solubilidad se correlacionó con el modelo log-lineal extendido de Yalkowsky, el modelo de Jouyban-Acree y el modelo de Jouyban-Acree-van't Hoff y las desviaciones porcentuales medias obtenidas son 43,6%, 7,0% y 7,1%, respectivamente. A partir de la variación de la solubilidad con la temperatura, se realizó el análisis termodinámico aparente de disolución y mezcla en todas las mezclas y disolventes puros. Basado en las integrales inversas de Kirkwood-Buff (IKBI) se observa que SD se solvata preferentemente con agua en mezclas ricas en agua (0,00 < x 1 <0,24) pero preferentemente se solvata con EG en el intervalo (0,24 < x 1 <1,00).The equilibrium solubility of sulfadiazine (SD) in {ethylene glycol (EG) (1) + water (2)} mixtures at temperatures from (278.15 to 318.15) K is reported. Mole fraction solubility of SD (x3) increases with temperature arising and also increases with the EG proportion increasing. It varies from 4.81 × 10−6 in neat water to 5.32 × 10−4 in neat EG at 298.15 K. Solubility behavior was correlated by the extended log-linear model of Yalkowsky, the Jouyban-Acree model, and Jouyban-Acree-van't Hoff model and the obtained mean percentage deviations are 43.6%, 7.0% and 7.1%, respectively. From the variation of solubility with temperature the apparent thermodynamic analysis of dissolution and mixing was performed in all the mixtures and neat solvents. Based on the inverse Kirkwood-Buff integrals (IKBI) is observed that SD is preferentially solvated by water in water-rich mixtures (0.00 < x1 < 0.24) but preferentially solvated by EG in the interval (0.24 < x1 < 1.00).Highlights. -- Abstract. -- Keywords. -- 1. Introduction. -- 2. Experimental. -- 3. Results and discussion. -- 4. Conclusions. -- Declaration of Competing Interest. -- Acknowledgements. -- References.http://scienti.colciencias.gov.co:8081/cvlac/visualizador/generarCurriculoCv.do?cod_rh=0001402116https://orcid.org/0000-0002-4835-9739https://scienti.minciencias.gov.co/gruplac/jsp/visualiza/visualizagr.jsp?nro=00000000004151danielr.delgado@campusucc.edu.cohttps://scholar.google.es/citations?user=OW0mejcAAAAJ&hl=es10Elsevier B.V.Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Industrial, NeivaIngeniería IndustrialNeivahttps://bbibliograficas.ucc.edu.co:2152/science/article/pii/S0167732220373001#!Journal of Molecular LiquidsJ.T. Rubino Cosolvents and cosolvency J.C. Swarbrick, J. Boylan (Eds.), Encyclopedia of Pharmaceutical Technology, vol. 3, Marcel Dekker, New York (NY) (1988), pp. 375-398Y. Marcus On the preferential solvation of drugs and PAHs in binary solvent mixtures J. Mol. Liq., 140 (2008), pp. 61-67A. Jouyban Handbook of Solubility Data for Pharmaceuticals CRC Press, Boca Raton (FL) (2010)A. Avdeef Absorption and Drug Development, Solubility, Permeability and Charge State Wiley-Interscience, Hoboken (NJ) (2003)Y. Marcus Preferential solvation in mixed solvents P.E. Smith, E. Matteoli, J.P. O’Connell (Eds.), Fluctuation Theory of Solutions: Applications in Chemistry, Chemical Engineering, and Biophysics, CRC Press, Taylor & Francis Group, Boca Raton (FL) (2013), pp. 65-92S. Gelone, J.A. O’Donell Anti-infectives A.R. Gennaro (Ed.), Remington: The Science and Practice of Pharmacy (21st edn.), Lippincott Williams & Wilkins, Philadelphia (PA) (2005)P.H. Elworthy, E.C. Worthington The solubility of sulphadiazine in water–dimethylformamide mixtures J. Pharm. Pharmacol., 20 (1968), pp. 830-835D.R. Delgado, F. Martínez Solution thermodynamics of sulfadiazine in ethanol + water mixtures J. Mol. Liq., 187 (2013), pp. 99-105D.R. Delgado, F. Martínez Solubility and solution thermodynamics of some sulfonamides in 1-propanol + water mixtures J. Solut. Chem., 43 (2014), pp. 836-852M.M. Muñoz, D.R. Delgado, M.A. Peña, A. Jouyban, F. Martínez Solubility and preferential solvation of sulfadiazine, sulfamerazine and sulfamethazine in propylene glycol + water mixtures at 298.15 K J. Mol. Liq., 204 (2015), pp. 132-136S. Akay, B. Kayan, D. Cunbin, J. Wang Research of sulfadiazine using subcritical water and water + alcohol mixtures as the solvent: solubility and thermodynamic property J. Mol. Liq., 253 (2018), pp. 270-276H. Yue, Y. Zhao, X. Ma, J. Gong Ethylene glycol: properties, synthesis, and applications Chem. Soc. Rev., 41 (2012), pp. 4218-4244H.M. Trimble Solubilities of salts in ethylene glycol and in its mixtures with water Ind. Eng. Chem., 23 (1931), pp. 165-167A. Osol, C.C. Pines Solubility of iodine in glycol-water solutions J. Am. Pharm. Assoc. Sci. Ed., 41 (1952), pp. 634-637F. Serpa, R. Vidal, J. Filho, C. Dariva, E. Franceschi, A. Santos, M. Heredia, G. Banda, C. Figueiredo, J. Nascimento, J. Ciambelli Solubility and Thermodynamic Properties of Carbon Dioxide in MEG/Water Mixtures, III Iberoamerican Conference on Supercritical Fluids Cartagena de Indias, Colombia (2013)W. Li, H. Lin, N. Song, G. Chen, X. Li, H. Zhao Equilibrium solubility investigation and thermodynamic aspects of biologically active gimeracil (form P) dissolved in aqueous co-solvent mixtures of isopropanol, N,N-dimethylformamide, ethylene glycol and dimethyl sulfoxide J. Chem. Thermodyn., 133 (2019), pp. 19-28Sulfadiazina{etilenglicol (1) + agua (2)} mezclasSolubilidadModelo Jouyban-AcreeIKBISolvatación preferencialSulfadiazine solvation{ethylene glycol (1) + water (2)} mixturesSolubilityJouyban-Acree modelPreferentialIKBISolubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvationArtículohttp://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1http://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionAtribución – Sin Derivarinfo:eu-repo/semantics/embargoedAccesshttp://purl.org/coar/access_right/c_f1cfPublicationLICENSElicense.txtlicense.txttext/plain; charset=utf-84334https://repository.ucc.edu.co/bitstreams/e444570f-d95a-4ad7-ac88-499a0940272a/download3bce4f7ab09dfc588f126e1e36e98a45MD5220.500.12494/32737oai:repository.ucc.edu.co:20.500.12494/327372024-08-10 20:59:42.497metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de 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

Solubility of sulfadiazine in (ethylene glycol + water) mixtures: Measurement, correlation, thermodynamics and preferential solvation

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