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https://hdl.handle.net/10316/107436
Title: | Interactions of Sodium Salicylate with β-Cyclodextrin and an Anionic Resorcin[4]arene: Mutual Diffusion Coefficients and Computational Study | Authors: | Galindres, Diana Espitia-Galindo, Nicolás Valente, Artur J. M. Sofio, Sara Rodrigo, M. Melia Cabral, Ana M. T. D. P. V. Esteso, Miguel Á. Zapata-Rivera, Jhon Vargas, Edgar F. Ribeiro, Ana C. F. |
Keywords: | β-cyclodextrin; sodium sulfonated resorcinarenes; sodium salicylate; diffusion by Taylor technique; transport properties; computational calculations | Issue Date: | 15-Feb-2023 | Publisher: | MDPI | Project: | UID/QUI/UI0313/2020 Faculty of Science and Vicerrectoria de Investigaciones at the Universidad de los Andes, Colombia, through the project INV-2020-99-2009 Faculty of Sciences and Humanities and the Comité de Ciencia y Tecnología at the Fundación Universidad de América through the project “IHU-007-2022” Minciencias by the doctoral fellowship (Doctorado Nacional-6172) |
Serial title, monograph or event: | International Journal of Molecular Sciences | Volume: | 24 | Issue: | 4 | Abstract: | The interaction between sodium salicylate (NaSal) and the two macrocycles 5,11,17,23-tetrakissulfonatomethylene-2,8,14,20-tetra(ethyl)resorcinarene (Na4EtRA) and β-cyclodextrin (β-CD) has been studied by the determination of ternary mutual diffusion coefficients, and spectroscopic and computational techniques. The results obtained by the Job method suggest that the complex formation is given in a 1:1 ratio for all systems. The mutual diffusion coefficients and the computational experiments have shown that the β-CD-NaSal system presents an inclusion process, whereas the Na4EtRA-NaSal system forms an outer-side complex. This fact is also in line with the results obtained from the computational experiments, where the calculated solvation free energy has been found to be more negative for the Na4EtRA-NaSal complex because of the partial entry of the drug inside the Na4EtRA cavity. | URI: | https://hdl.handle.net/10316/107436 | ISSN: | 1422-0067 | DOI: | 10.3390/ijms24043921 | Rights: | openAccess |
Appears in Collections: | FFUC- Artigos em Revistas Internacionais I&D CQC - Artigos em Revistas Internacionais |
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Galindres2023IntJMolSci.pdf | 3.01 MB | Adobe PDF | View/Open |
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