A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations

The affinity of the polyether ionophore salinomycin to bind IA/IB metal ions was accessed using the Gibbs free energy of the competition reaction between SalNa (taken as a reference) and its rival ions: [M(+)-solution] + [SalNa] → [SalM] + [Na(+)-solution] (M = Li, K, Rb, Cs, Cu, Ag, Au). The DFT/PC...

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Detalles Bibliográficos
Autores principales: Dudev, Todor, Cheshmedzhieva, Diana, Dorkov, Peter, Pantcheva, Ivayla
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779476/
https://www.ncbi.nlm.nih.gov/pubmed/35056843
http://dx.doi.org/10.3390/molecules27020532

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8779476/
https://www.ncbi.nlm.nih.gov/pubmed/35056843
http://dx.doi.org/10.3390/molecules27020532

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