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A Theoretical Study of the Adsorption Process of B-aflatoxins Using Pyracantha koidzumii (Hayata) Rehder Biomasses

Employing theoretical calculations with density functional theory (DFT) using the B3LYP/6-311++G(d,p) functional and basis set, the interaction of the aflatoxin B(1) (AFB(1)) molecule and the functional groups present in the Pyracantha koidzumii biosorbent was investigated. Dissociation free energy...

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Detalles Bibliográficos
Autores principales:	Méndez-Albores, Abraham, Escobedo-González, René, Aceves-Hernández, Juan Manuel, García-Casillas, Perla, Nicolás-Vázquez, María Inés, Miranda-Ruvalcaba, René
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7290487/ https://www.ncbi.nlm.nih.gov/pubmed/32354011 http://dx.doi.org/10.3390/toxins12050283

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