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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 325 2021-01-21T16:45:56Z 2022-12-30 2021-01-21T16:45:56Z 2021-03-01 01677322 https://doi.org/10.1016/j.molliq.2020.115222 https://hdl.handle.net/20.500.12494/32736 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 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, 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=0001402116 https://orcid.org/0000-0002-4835-9739 https://scienti.minciencias.gov.co/gruplac/jsp/visualiza/visualizagr.jsp?nro=00000000004151 danielr.delgado@campusucc.edu.co https://scholar.google.es/citations?user=OW0mejcAAAAJ&hl=es 10 Universidad Cooperativa de Colombia, Facultad de Ingenierías, Ingeniería Industrial, Neiva Elsevier B.V. Ingeniería Industrial Neiva https://bbibliograficas.ucc.edu.co:2152/science/article/pii/S016773222037464X#! Journal of Molecular Liquids 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. 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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 Triclocarban Solubilidad Van Hoff Cosolvencia IKBI Solvatación preferencial Triclocarban Preferential solvation IKBI Cosolvency Van Hoff Solubility Thermodynamic analysis of the solubility of triclocarban in ethylene glycol + water mixtures Artículo http://purl.org/coar/resource_type/c_6501 http://purl.org/coar/version/c_970fb48d4fbd8a85 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Atribución – Sin Derivar info:eu-repo/semantics/embargoedAccess http://purl.org/coar/access_right/c_f1cf Publicationmetadata.only