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

La solubilidad en equilibrio de la sulfamerazina (SMR) en etilenglicol puro (EG) y diecinueve {(EG) (1) + agua (2)} mezclas se reporta a temperaturas de (278.15 a 318.15) K. Solubilidad en fracción molar de SMR ( x 3 ) aumenta con el aumento de la temperatura y también aumenta con el aumento de la p...

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Autores:: Vargas-Santana, Martha Sofía
Cruz-González, Ana María
Ortiz, Claudia Patricia
Delgado, Daniel Ricardo
Martínez, Fleming
Peña, María Ángeles
Acree Jr., William E.
Jouyban, Abolghasem

Tipo de recurso:: Article of journal

Fecha de publicación:: 2021

Institución:: Universidad Cooperativa de Colombia

Repositorio:: Repositorio UCC

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dc.title.spa.fl_str_mv	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
title	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
spellingShingle	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation sulfamerazina {Etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree Solucion preferencial IKBI Q1 Sulfamerazine {Ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential solvation IKBI
title_short	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
title_full	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
title_fullStr	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
title_full_unstemmed	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
title_sort	Solubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation
dc.creator.fl_str_mv	Vargas-Santana, Martha Sofía Cruz-González, Ana María Ortiz, Claudia Patricia Delgado, Daniel Ricardo Martínez, Fleming Peña, María Ángeles Acree Jr., William E. Jouyban, Abolghasem
dc.contributor.advisor.none.fl_str_mv	Delgado, Daniel Ricardo
dc.contributor.author.none.fl_str_mv	Vargas-Santana, Martha Sofía Cruz-González, Ana María Ortiz, Claudia Patricia Delgado, Daniel Ricardo Martínez, Fleming Peña, María Ángeles Acree Jr., William E. Jouyban, Abolghasem
dc.subject.spa.fl_str_mv	sulfamerazina {Etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree Solucion preferencial IKBI
topic	sulfamerazina {Etilenglicol (1) + agua (2)} mezclas Solubilidad Modelo Jouyban-Acree Solucion preferencial IKBI Q1 Sulfamerazine {Ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential solvation IKBI
dc.subject.classification.spa.fl_str_mv	Q1
dc.subject.other.spa.fl_str_mv	Sulfamerazine {Ethylene glycol (1) + water (2)} mixtures Solubility Jouyban-Acree model Preferential solvation IKBI
description	La solubilidad en equilibrio de la sulfamerazina (SMR) en etilenglicol puro (EG) y diecinueve {(EG) (1) + agua (2)} mezclas se reporta a temperaturas de (278.15 a 318.15) K. Solubilidad en fracción molar de SMR ( x 3 ) aumenta con el aumento de la temperatura y también aumenta con el aumento de la proporción de EG. Varía de 1,71 × 10 −5 en agua pura a 7,78 × 10 −4en EG puro a 298,15 K. El comportamiento de la solubilidad se correlacionó mediante el modelo logarítmico lineal extendido de Yalkowsky, el modelo Jouyban-Acree y el modelo Jouyban-Acree-van't Hoff y las desviaciones porcentuales medias obtenidas son 80,1 %, 6,7 % y 6,6%, respectivamente. A partir de la variación de la solubilidad con la temperatura, se realizó el análisis termodinámico aparente de los procesos de disolución y mezcla en todas las mezclas y solventes puros. A partir de los cálculos de integrales inversas de Kirkwood-Buff (IKBI) se observa que SMR exhibe parámetros de solvatación preferenciales negativos bajos por EG en mezclas ricas en agua. De lo contrario, SMR se solvata preferentemente por EG en el intervalo (0.24 < x 1 < 1.00).
publishDate	2021
dc.date.issued.none.fl_str_mv	2021-09-01
dc.date.accessioned.none.fl_str_mv	2022-10-06T20:04:12Z
dc.date.available.none.fl_str_mv	2022-10-06T20:04:12Z 2024-12-01
dc.type.none.fl_str_mv	Artículo
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dc.identifier.issn.spa.fl_str_mv	0167-7322
dc.identifier.uri.spa.fl_str_mv	10.1016/j.molliq.2021.116330
dc.identifier.uri.none.fl_str_mv	https://hdl.handle.net/20.500.12494/46637
dc.identifier.bibliographicCitation.spa.fl_str_mv	Solubility of sulfamerazine in (ethylene glycol+ water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation MS Vargas-Santana, AM Cruz-González, CP Ortiz, DR Delgado, ... Journal of Molecular Liquids 337, 116330
identifier_str_mv	0167-7322 10.1016/j.molliq.2021.116330 Solubility of sulfamerazine in (ethylene glycol+ water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation MS Vargas-Santana, AM Cruz-González, CP Ortiz, DR Delgado, ... Journal of Molecular Liquids 337, 116330
url	https://hdl.handle.net/20.500.12494/46637
dc.relation.isversionof.spa.fl_str_mv	https://www.sciencedirect.com/science/article/abs/pii/S0167732221010540#!
dc.relation.ispartofjournal.spa.fl_str_mv	Journal of Molecular Liquids
dc.relation.references.spa.fl_str_mv	J.T. Rubino, Cosolvents and cosolvency, in: J.C. Swarbrick, J. Boylan (editors), Encyclopedia of Pharmaceutical Technology, Marcel Dekker, New York (NY), 1988, vol. 3, p. 375-398. S.H. Yalkowsky, Solubility and Solubilization in Aqueous Media, American Chemical Society and Oxford University Press, New York (NY), 1999. P. Bustamante, B. Escalera, A. Martin, E. Selles A modification of the extended Hildebrand approach to predict the solubility of structurally related drugs in solvent mixtures J. Pharm. Pharmacol., 45 (1993), pp. 253-257 S. Romero, A. Reillo, B. Escalera, P. Bustamante The behaviour of paracetamol in mixtures of aprotic and amphiprotic-aprotic solvents. Relationship of solubility curves to specific and nonspecific interactions Chem. Pharm. Bull (Tokyo), 44 (1996), pp. 1061-1066 P. Bustamante, S. Romero, A. Peña, B. Escalera, A. Reillo Nonlinear enthalpy-entropy compensation for the solubility of drugs in solvent mixtures: Paracetamol, acetanilide and nalidixic acid in dioxane-water J. Pharm. Sci., 87 (1998), pp. 1590-1596 Y. Marcus On the preferential solvation of drugs and PAHs in binary solvent mixtures J. Mol. Liq., 140 (2008), pp. 61-67 Y. Marcus Preferential solvation of drugs in binary solvent mixtures Pharm. Anal. Acta, 8 (2017), p. 1000537 D.R. Delgado, F. Martínez Solubility and solution thermodynamics of sulfamerazine and sulfamethazine in some ethanol + water mixtures Fluid Phase Equilib., 360 (2013), pp. 88-96 D.R. Delgado, F. Martínez Solubility and solution thermodynamics of some sulfonamides in 1-propanol + water mixtures J. Solution Chem., 43 (2014), pp. 836-852
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dc.publisher.spa.fl_str_mv	Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Civil, Neiva Elsevier
dc.publisher.program.spa.fl_str_mv	Ingeniería Civil
dc.publisher.place.spa.fl_str_mv	Neiva
institution	Universidad Cooperativa de Colombia
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spelling	Delgado, Daniel RicardoVargas-Santana, Martha SofíaCruz-González, Ana MaríaOrtiz, Claudia PatriciaDelgado, Daniel RicardoMartínez, FlemingPeña, María ÁngelesAcree Jr., William E.Jouyban, Abolghasem3372022-10-06T20:04:12Z2024-12-012022-10-06T20:04:12Z2021-09-010167-732210.1016/j.molliq.2021.116330https://hdl.handle.net/20.500.12494/46637Solubility of sulfamerazine in (ethylene glycol+ water) mixtures: Measurement, correlation, dissolution thermodynamics and preferential solvation MS Vargas-Santana, AM Cruz-González, CP Ortiz, DR Delgado, ... Journal of Molecular Liquids 337, 116330La solubilidad en equilibrio de la sulfamerazina (SMR) en etilenglicol puro (EG) y diecinueve {(EG) (1) + agua (2)} mezclas se reporta a temperaturas de (278.15 a 318.15) K. Solubilidad en fracción molar de SMR ( x 3 ) aumenta con el aumento de la temperatura y también aumenta con el aumento de la proporción de EG. Varía de 1,71 × 10 −5 en agua pura a 7,78 × 10 −4en EG puro a 298,15 K. El comportamiento de la solubilidad se correlacionó mediante el modelo logarítmico lineal extendido de Yalkowsky, el modelo Jouyban-Acree y el modelo Jouyban-Acree-van't Hoff y las desviaciones porcentuales medias obtenidas son 80,1 %, 6,7 % y 6,6%, respectivamente. A partir de la variación de la solubilidad con la temperatura, se realizó el análisis termodinámico aparente de los procesos de disolución y mezcla en todas las mezclas y solventes puros. A partir de los cálculos de integrales inversas de Kirkwood-Buff (IKBI) se observa que SMR exhibe parámetros de solvatación preferenciales negativos bajos por EG en mezclas ricas en agua. De lo contrario, SMR se solvata preferentemente por EG en el intervalo (0.24 < x 1 < 1.00).The equilibrium solubility of sulfamerazine (SMR) in neat ethylene glycol (EG) and nineteen {(EG) (1) + water (2)} mixtures is reported at temperatures from (278.15 to 318.15) K. Mole fraction solubility of SMR (x3) increases with temperature arising and also increases with the EG proportion increasing. It varies from 1.71 × 10−5 in neat water to 7.78 × 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 80.1%, 6.7% and 6.6%, respectively. From the variation of solubility with temperature, the apparent thermodynamic analysis of dissolution and mixing processes was performed in all the mixtures and neat solvents. From inverse Kirkwood-Buff integrals (IKBI) calculations is observed that SMR exhibits low negative preferential solvation parameters by EG in water-rich mixtures. Otherwise, SMR is 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 CRediT authorship contribution statement Declaration of Competing Interest Acknowledgements Appendix A. Supplementary material Referenceshttps://scienti.minciencias.gov.co/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.com/citations?hl=es&user=OW0mejcAAAAJ&view_op=list_works&sortby=pubdate15Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Civil, NeivaElsevierIngeniería CivilNeivahttps://www.sciencedirect.com/science/article/abs/pii/S0167732221010540#!Journal of Molecular LiquidsJ.T. Rubino, Cosolvents and cosolvency, in: J.C. Swarbrick, J. Boylan (editors), Encyclopedia of Pharmaceutical Technology, Marcel Dekker, New York (NY), 1988, vol. 3, p. 375-398.S.H. Yalkowsky, Solubility and Solubilization in Aqueous Media, American Chemical Society and Oxford University Press, New York (NY), 1999.P. Bustamante, B. Escalera, A. Martin, E. Selles A modification of the extended Hildebrand approach to predict the solubility of structurally related drugs in solvent mixtures J. Pharm. Pharmacol., 45 (1993), pp. 253-257S. Romero, A. Reillo, B. Escalera, P. Bustamante The behaviour of paracetamol in mixtures of aprotic and amphiprotic-aprotic solvents. Relationship of solubility curves to specific and nonspecific interactions Chem. Pharm. Bull (Tokyo), 44 (1996), pp. 1061-1066P. Bustamante, S. Romero, A. Peña, B. Escalera, A. Reillo Nonlinear enthalpy-entropy compensation for the solubility of drugs in solvent mixtures: Paracetamol, acetanilide and nalidixic acid in dioxane-water J. Pharm. Sci., 87 (1998), pp. 1590-1596Y. Marcus On the preferential solvation of drugs and PAHs in binary solvent mixtures J. Mol. Liq., 140 (2008), pp. 61-67Y. Marcus Preferential solvation of drugs in binary solvent mixtures Pharm. Anal. Acta, 8 (2017), p. 1000537D.R. Delgado, F. Martínez Solubility and solution thermodynamics of sulfamerazine and sulfamethazine in some ethanol + water mixtures Fluid Phase Equilib., 360 (2013), pp. 88-96D.R. Delgado, F. Martínez Solubility and solution thermodynamics of some sulfonamides in 1-propanol + water mixtures J. Solution Chem., 43 (2014), pp. 836-852sulfamerazina{Etilenglicol (1) + agua (2)} mezclasSolubilidadModelo Jouyban-AcreeSolucion preferencialIKBIQ1Sulfamerazine{Ethylene glycol (1) + water (2)} mixturesSolubilityJouyban-Acree modelPreferential solvationIKBISolubility of sulfamerazine in (ethylene glycol + water) mixtures: Measurement, correlation, dissolution 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/articlehttp://purl.org/redcol/resource_type/ARTinfo:eu-repo/semantics/publishedVersionAtribución – No comercialinfo:eu-repo/semantics/closedAccesshttp://purl.org/coar/access_right/c_14cbPublicationORIGINALSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdfSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdfArticuloapplication/pdf767697https://repository.ucc.edu.co/bitstreams/78e08f19-1a98-45c5-972b-63b55d1581fa/downloadf61f86ef1a933bc80860f22cec742502MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://repository.ucc.edu.co/bitstreams/477ac31a-dfd5-4579-b4bb-9ac8de709dcc/download8a4605be74aa9ea9d79846c1fba20a33MD52THUMBNAILSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdf.jpgSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdf.jpgGenerated Thumbnailimage/jpeg5886https://repository.ucc.edu.co/bitstreams/39575916-90ed-4b58-be3a-1b0f2a28fceb/download9afcfc76ee3367cd8810e6af3a18ead5MD53TEXTSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdf.txtSolubility of sulfamerazine in (ethylene glycol + water) mixtures Measurement, correlation, dissolution thermodynamics and preferential solvation.pdf.txtExtracted texttext/plain68470https://repository.ucc.edu.co/bitstreams/171222bd-6982-4dbf-a8f3-1c171ae89738/download7590ea6d1c95c6550bb0110057da2404MD5420.500.12494/46637oai:repository.ucc.edu.co:20.500.12494/466372024-08-20 16:19:41.918open.accesshttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de Colombiabdigital@metabiblioteca.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

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

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