Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures

La solubilidad del triclocarbán (TCC) se determinó en mezclas de codisolvente de {etilenglicol (EG) + agua} a 7 temperaturas (288,15–318,15 K). La solubilidad de TCC aumenta al aumentar la temperatura y la polaridad del sistema de codisolvente disminuye al aumentar la concentración de EG. En ese cas...

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

Tipo de recurso:: Article of journal

Fecha de publicación:: 2021

Institución:: Universidad Cooperativa de Colombia

Repositorio:: Repositorio UCC

Idioma:

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repository_id_str
dc.title.spa.fl_str_mv	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
title	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
spellingShingle	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures Triclocarban Solubilidad Van Hoff Cosolvencia IKBI Solvatación preferencial Triclocarban Preferential solvation IKBI Cosolvency Van Hoff Solubility
title_short	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
title_full	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
title_fullStr	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
title_full_unstemmed	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
title_sort	Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures
dc.creator.fl_str_mv	Cruz González, Ana María Vargas Santana, Martha Sofía Ortiz, Claudia Patricia Cerquera, Néstor Enrique Delgado, Daniel Ricardo Fleming, Martínez 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 Fleming, Martínez Jouyban, Abolghasem Acree Jr, William Eugene
dc.subject.spa.fl_str_mv	Triclocarban Solubilidad Van Hoff Cosolvencia IKBI Solvatación preferencial
topic	Triclocarban Solubilidad Van Hoff Cosolvencia IKBI Solvatación preferencial Triclocarban Preferential solvation IKBI Cosolvency Van Hoff Solubility
dc.subject.other.spa.fl_str_mv	Triclocarban Preferential solvation IKBI Cosolvency Van Hoff Solubility
description	La solubilidad del triclocarbán (TCC) se determinó en mezclas de codisolvente de {etilenglicol (EG) + agua} a 7 temperaturas (288,15–318,15 K). La solubilidad de TCC aumenta al aumentar la temperatura y la polaridad del sistema de codisolvente disminuye al aumentar la concentración de EG. En ese caso, el TCC alcanza su mínima solubilidad en agua pura a 288.15 K y su máxima solubilidad en EG a 318 K. Las funciones termodinámicas se calcularon mediante la ecuación de van Hoff, y se determinó que el proceso es endotérmico y, según la entropía entalpía El análisis de compensación está impulsado por la entropía en mezclas ricas en agua y por la entalpía en mezclas intermedias y ricas en EG. De acuerdo con las funciones de transferencia, TCC tiende a transferir de medios polares a menos polares. En cuanto al análisis de solvatación preferencial, realizado mediante el modelo IKBI,
publishDate	2021
dc.date.accessioned.none.fl_str_mv	2021-01-21T16:45:56Z
dc.date.available.none.fl_str_mv	2021-01-21T16:45:56Z 2022-12-30
dc.date.issued.none.fl_str_mv	2021-03-01
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.2020.115222
dc.identifier.uri.none.fl_str_mv	https://hdl.handle.net/20.500.12494/32736
dc.identifier.bibliographicCitation.spa.fl_str_mv	Cruz González, A. M., Vargas Santana, M.S., Polania-Orozco, S. J., Ortiz, C. P., Enrique Cerquera, N., Martínez, F., Delgado. R. D., Jouybangh, A., AcreeJri, W. (2021). Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures. Journal of Molecular Liquids Volume 325, 1 March 2021, 115222
identifier_str_mv	01677322 Cruz González, A. M., Vargas Santana, M.S., Polania-Orozco, S. J., Ortiz, C. P., Enrique Cerquera, N., Martínez, F., Delgado. R. D., Jouybangh, A., AcreeJri, W. (2021). Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures. Journal of Molecular Liquids Volume 325, 1 March 2021, 115222
url	https://doi.org/10.1016/j.molliq.2020.115222 https://hdl.handle.net/20.500.12494/32736
dc.relation.isversionof.spa.fl_str_mv	https://bbibliograficas.ucc.edu.co:2152/science/article/pii/S016773222037464X#!
dc.relation.ispartofjournal.spa.fl_str_mv	Journal of Molecular Liquids
dc.relation.references.spa.fl_str_mv	R. Khan, A. Zeb, N. Roy, R.T. Magar, H.J. Kim, K.W. Lee, S.W. Lee Biochemical and structural basis of triclosan resistance in a novel enoyl-acyl carrier protein reductase Antimicrob. Agents Chemother., 62 (2018) (e00648-18) L. Zhu, H. Bi, J. Ma, Z. Hu, W. Zhang, J.E. Cronan, H. Wang The two functional enoyl-acyl carrier protein reductases of enterococcus faecalis do not mediate triclosan resistance MBio, 4 (2013) (e00613-13) T.E.A. Chalew, R.U. Halden Environmental exposure of aquatic and terrestrial biota to triclosan and triclocarban J. Am. Water Resour. Assoc., 45 (2009), pp. 4-13 D.R. Delgado, E.M. Mogollon-Waltero, C.P. Ortiz, M. Peña, O.A. Almanza, F. Martínez, A. Jouyban Enthalpy-entropy compensation analysis of the triclocarban dissolution process in some {1,4-dioxane (1) + water (2)} mixtures J. Mol. Liq., 271 (2018), pp. 522-529 T.M. Tran, H.T. Trinh, H.Q. Anh, T. Van Le, S.N. Le, T.B. Minh Characterization of triclosan and triclocarban in indoor dust from home micro-environments in Vietnam and relevance of non-dietary exposure Sci. Total Environ., 732 (2020), p. 139326 Z.F. Chen, H.B. Wen, X. Dai, S.C. Yan, H. Zhang, Y.Y. Chen, Z. Du, G. Liu, Z. Cai Contamination and risk profiles of triclosan and triclocarban in sediments from a less urbanized region in China J. Hazard. Mater., 357 (2018), pp. 376-383 Z.F. Chen, G.G. Ying, Y.S. Liu, Q.Q. Zhang, J.L. Zhao, S.S. Liu, J. Chen, F.J. Peng, H.J. Lai, C.G. Pan Triclosan as a surrogate for household biocides: an investigation into biocides in aquatic environments of a highly urbanized region Water Res., 58 (2014), pp. 269-279 C.M. Marques, S. Moniz, J.P. de Sousa, A.P. Barbosa-Povoa, G. Reklaitis Decision-support challenges in the chemical-pharmaceutical industry: Findings and future research directions Comput. Chem. Eng., 134 (2020), p. 106672 E. Strade, D. Kalnina, J. Kulczycka Water efficiency and safe re-use of different grades of water - Topical issues for the pharmaceutical industry Water Resour. Ind., 24 (2020), p. 100132 A. Fàbregas-Fernández, E. García-Montoya, P. Pérez-Lozano, J.M. Suñé-Negre, J.R. Ticó, M. Miñarro Quality assurance in research: incorporating ISO9001:2000 into a GMP quality management system in a pharmaceutical R+D+I center Accred. Qual. Assur., 15 (2010), pp. 297-304 H.C. Poynton, W.E. Robinson Contaminants of emerging concern, with an emphasis on nanomaterials and pharmaceuticals Green Chemistry: An Inclusion Approach, Elsevier Inc. (2018), pp. 291-315 A.M. Romero-Nieto, N.E. Cerquera, F. Martínez, D.R. Delgado Thermodynamic study of the solubility of ethylparaben in acetonitrile + water cosolvent mixtures at different temperatures J. Mol. Liq., 287 (2019), p. 110894 J.M. Brausch, G.M. Rand A review of personal care products in the aquatic environment: environmental concentrations and toxicity Chemosphere, 82 (2011), pp. 1518-1532 Q. Bu, B. Wang, J. Huang, S. Deng, G. Yu Pharmaceuticals and personal care products in the aquatic environment in China: a review J. Hazard. Mater., 262 (2013), pp. 189-211 H. Montaseri, P.B.C. Forbes A review of monitoring methods for triclosan and its occurrence in aquatic environments, TrAC—Trends Anal. Chem., 85 (2016), pp. 221-231 M. Kajta, J. Rzemieniec, A. Wnuk, W. Lasoń Triclocarban impairs autophagy in neuronal cells and disrupts estrogen receptor signaling via hypermethylation of specific genes Sci. Total Environ., 701 (2020), p. 134818
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dc.publisher.spa.fl_str_mv	Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Industrial, Neiva Elsevier B.V.
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spelling	Cruz González, Ana MaríaVargas Santana, Martha SofíaOrtiz, Claudia PatriciaCerquera, Néstor EnriqueDelgado, Daniel RicardoFleming, MartínezJouyban, AbolghasemAcree Jr, William Eugene3252021-01-21T16:45:56Z2022-12-302021-01-21T16:45:56Z2021-03-0101677322https://doi.org/10.1016/j.molliq.2020.115222https://hdl.handle.net/20.500.12494/32736Cruz González, A. M., Vargas Santana, M.S., Polania-Orozco, S. J., Ortiz, C. P., Enrique Cerquera, N., Martínez, F., Delgado. R. D., Jouybangh, A., AcreeJri, W. (2021). Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures. Journal of Molecular Liquids Volume 325, 1 March 2021, 115222La solubilidad del triclocarbán (TCC) se determinó en mezclas de codisolvente de {etilenglicol (EG) + agua} a 7 temperaturas (288,15–318,15 K). La solubilidad de TCC aumenta al aumentar la temperatura y la polaridad del sistema de codisolvente disminuye al aumentar la concentración de EG. En ese caso, el TCC alcanza su mínima solubilidad en agua pura a 288.15 K y su máxima solubilidad en EG a 318 K. Las funciones termodinámicas se calcularon mediante la ecuación de van Hoff, y se determinó que el proceso es endotérmico y, según la entropía entalpía El análisis de compensación está impulsado por la entropía en mezclas ricas en agua y por la entalpía en mezclas intermedias y ricas en EG. De acuerdo con las funciones de transferencia, TCC tiende a transferir de medios polares a menos polares. En cuanto al análisis de solvatación preferencial, realizado mediante el modelo IKBI,The solubility of triclocarban (TCC) was determined in {ethylene glycol (EG) + water} cosolvent mixtures at 7 temperatures (288.15–318.15 K). The solubility of TCC increases with increasing temperature and the polarity of the cosolvent system decreases with increasing EG concentration. In that case, TCC reaches its minimum solubility in pure water at 288.15 K and maximum solubility in EG at 318 K. The thermodynamic functions were calculated using the van Hoff equation, and it was determined that the process is endothermic and, according to entropy enthalpy compensation analysis, is driven by entropy in water-rich mixtures, and by enthalpy in intermediate and EG-rich mixtures. According to transfer functions, TCC tends to transfer from polar to less polar media. Regarding preferential solvation analysis, carried out using the IKBI model, TCC is preferentially solvated by water in water-rich mixtures and by EG in intermediate and EG-rich mixtures.Highlights. -- Abstract. -- Graphical abstract. -- Keywords. -- 1. Introduction. -- 2. Experimental methods. -- 3. Results and discussion. -- 4. Conclusions. -- Declaration of Competing Interest. -- Acknowledgments. -- 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=es10Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Industrial, NeivaElsevier B.V.Ingeniería IndustrialNeivahttps://bbibliograficas.ucc.edu.co:2152/science/article/pii/S016773222037464X#!Journal of Molecular LiquidsR. Khan, A. Zeb, N. Roy, R.T. Magar, H.J. Kim, K.W. Lee, S.W. Lee Biochemical and structural basis of triclosan resistance in a novel enoyl-acyl carrier protein reductase Antimicrob. Agents Chemother., 62 (2018) (e00648-18)L. Zhu, H. Bi, J. Ma, Z. Hu, W. Zhang, J.E. Cronan, H. Wang The two functional enoyl-acyl carrier protein reductases of enterococcus faecalis do not mediate triclosan resistance MBio, 4 (2013) (e00613-13)T.E.A. Chalew, R.U. Halden Environmental exposure of aquatic and terrestrial biota to triclosan and triclocarban J. Am. Water Resour. Assoc., 45 (2009), pp. 4-13D.R. Delgado, E.M. Mogollon-Waltero, C.P. Ortiz, M. Peña, O.A. Almanza, F. Martínez, A. Jouyban Enthalpy-entropy compensation analysis of the triclocarban dissolution process in some {1,4-dioxane (1) + water (2)} mixtures J. Mol. Liq., 271 (2018), pp. 522-529T.M. Tran, H.T. Trinh, H.Q. Anh, T. Van Le, S.N. Le, T.B. Minh Characterization of triclosan and triclocarban in indoor dust from home micro-environments in Vietnam and relevance of non-dietary exposure Sci. Total Environ., 732 (2020), p. 139326Z.F. Chen, H.B. Wen, X. Dai, S.C. Yan, H. Zhang, Y.Y. Chen, Z. Du, G. Liu, Z. Cai Contamination and risk profiles of triclosan and triclocarban in sediments from a less urbanized region in China J. Hazard. Mater., 357 (2018), pp. 376-383Z.F. Chen, G.G. Ying, Y.S. Liu, Q.Q. Zhang, J.L. Zhao, S.S. Liu, J. Chen, F.J. Peng, H.J. Lai, C.G. Pan Triclosan as a surrogate for household biocides: an investigation into biocides in aquatic environments of a highly urbanized region Water Res., 58 (2014), pp. 269-279C.M. Marques, S. Moniz, J.P. de Sousa, A.P. Barbosa-Povoa, G. Reklaitis Decision-support challenges in the chemical-pharmaceutical industry: Findings and future research directions Comput. Chem. Eng., 134 (2020), p. 106672E. Strade, D. Kalnina, J. Kulczycka Water efficiency and safe re-use of different grades of water - Topical issues for the pharmaceutical industry Water Resour. Ind., 24 (2020), p. 100132A. Fàbregas-Fernández, E. García-Montoya, P. Pérez-Lozano, J.M. Suñé-Negre, J.R. Ticó, M. Miñarro Quality assurance in research: incorporating ISO9001:2000 into a GMP quality management system in a pharmaceutical R+D+I center Accred. Qual. Assur., 15 (2010), pp. 297-304H.C. Poynton, W.E. Robinson Contaminants of emerging concern, with an emphasis on nanomaterials and pharmaceuticals Green Chemistry: An Inclusion Approach, Elsevier Inc. (2018), pp. 291-315A.M. Romero-Nieto, N.E. Cerquera, F. Martínez, D.R. Delgado Thermodynamic study of the solubility of ethylparaben in acetonitrile + water cosolvent mixtures at different temperatures J. Mol. Liq., 287 (2019), p. 110894J.M. Brausch, G.M. Rand A review of personal care products in the aquatic environment: environmental concentrations and toxicity Chemosphere, 82 (2011), pp. 1518-1532Q. Bu, B. Wang, J. Huang, S. Deng, G. Yu Pharmaceuticals and personal care products in the aquatic environment in China: a review J. Hazard. Mater., 262 (2013), pp. 189-211H. Montaseri, P.B.C. Forbes A review of monitoring methods for triclosan and its occurrence in aquatic environments, TrAC—Trends Anal. Chem., 85 (2016), pp. 221-231M. Kajta, J. Rzemieniec, A. Wnuk, W. Lasoń Triclocarban impairs autophagy in neuronal cells and disrupts estrogen receptor signaling via hypermethylation of specific genes Sci. Total Environ., 701 (2020), p. 134818TriclocarbanSolubilidadVan HoffCosolvenciaIKBISolvatación preferencialTriclocarbanPreferential solvationIKBICosolvencyVan HoffSolubilityThermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixturesArtículohttp://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/3f00316d-e22b-452a-8933-6e60d88174bc/download3bce4f7ab09dfc588f126e1e36e98a45MD5220.500.12494/32736oai:repository.ucc.edu.co:20.500.12494/327362024-08-10 20:59:45.108metadata.onlyhttps://repository.ucc.edu.coRepositorio Institucional Universidad Cooperativa de 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Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures

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