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Interactions of Sodium Salicylate with ß-Cyclodextrin and an Anionic Resorcin[4]arene: Mutual Diffusion Coefficients and Computational Study.
Galindres, Diana M; Espitia-Galindo, Nicolás; Valente, Artur J M; Sofio, Sara P C; Rodrigo, M Melia; Cabral, Ana M T D P V; Esteso, Miguel A; Zapata-Rivera, Jhon; Vargas, Edgar F; Ribeiro, Ana C F.
Afiliación
  • Galindres DM; Grupo de Fisicoquímica y Análisis Matemático (Physchemath), Facultad de Ciencias y Humanidades, Universidad de América, Avda Circunvalar No. 20-53, Bogotá 110321, Colombia.
  • Espitia-Galindo N; Grupo de Termodinámica de Soluciones, Departamento de Química, Facultad de Ciencias, Universidad de los Andes, Cra 1 No. 18A-12, Bogotá 111711, Colombia.
  • Valente AJM; Molecular Electronic Structure Group, Department of Chemistry, Universidad de los Andes, Carrera 1 No. 18A-10, Bogotá 111711, Colombia.
  • Sofio SPC; CQC-IMS, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal.
  • Rodrigo MM; CQC-IMS, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal.
  • Cabral AMTDPV; U.D. Química Física, Universidad de Alcalá, 28805 Alcalá de Henares, Spain.
  • Esteso MA; Faculty of Pharmacy, University of Coimbra, 3000-548 Coimbra, Portugal.
  • Zapata-Rivera J; U.D. Química Física, Universidad de Alcalá, 28805 Alcalá de Henares, Spain.
  • Vargas EF; Faculty of Health Sciences, Universidad Católica de Ávila, Calle Los Canteros s/n, 05005 Ávila, Spain.
  • Ribeiro ACF; Molecular Electronic Structure Group, Department of Chemistry, Universidad de los Andes, Carrera 1 No. 18A-10, Bogotá 111711, Colombia.
Int J Mol Sci ; 24(4)2023 Feb 15.
Article en En | MEDLINE | ID: mdl-36835327
The interaction between sodium salicylate (NaSal) and the two macrocycles 5,11,17,23-tetrakissulfonatomethylene-2,8,14,20-tetra(ethyl)resorcinarene (Na4EtRA) and ß-cyclodextrin (ß-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 ß-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.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Salicilato de Sodio / Beta-Ciclodextrinas Idioma: En Revista: Int J Mol Sci Año: 2023 Tipo del documento: Article País de afiliación: Colombia Pais de publicación: Suiza
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Salicilato de Sodio / Beta-Ciclodextrinas Idioma: En Revista: Int J Mol Sci Año: 2023 Tipo del documento: Article País de afiliación: Colombia Pais de publicación: Suiza