Structural analysis of adsorption processes of 5FU and imiquimodon hydrogels using AMBER/PM3 hybrid model

Structural analysis of adsorption processes of 5FU and imiquimodon hydrogels using AMBER/PM3 hybrid model

AMBER/PM3 hybrid model allowed determining the structural properties of 5FU and imiquimod individually and after the adsorption of chitosan hydrogels crosslinked with genipin, respectively. It was observed that the Gibbs free energy (ΔG) decreases with the adsorption, but indicates thermodynamic sta...

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Bibliographic Details
Main Authors: Norma Aurea Rangel-Vázquez, Dulce Nallely Villanueva-García, Jonathan Kalla
Format: Article
Language:English
Published: Universidad Nacional de Colombia 2018-05-01
Series:Revista Colombiana de Química
Subjects:
5FU
Imiquimod
AMBER
PM3
FTIR
MESP
Gibbs
Online Access:https://revistas.unal.edu.co/index.php/rcolquim/article/view/67352

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