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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...
Autores principales: | Dudev, Todor, Cheshmedzhieva, Diana, Dorkov, Peter, Pantcheva, Ivayla |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
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 |
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