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Mechanism of Antioxidant Activity of Betanin, Betanidin and Respective C15-Epimers via Shape Theory, Molecular Dynamics, Density Functional Theory and Infrared Spectroscopy.
Molecules. 2022 Mar 21;27(6):2003. doi: 10.3390/molecules27062003.
Molecules. 2022.
PMID: 35335368
Free PMC article.
Dissociation Mode of the O-H Bond in Betanidin, pKa-Clusterization Prediction, and Molecular Interactions via Shape Theory and DFT Methods.
Ramírez-Velásquez IM, Bedoya-Calle ÁH, Vélez E, Caro-Lopera FJ.
Ramírez-Velásquez IM, et al.
Int J Mol Sci. 2023 Feb 2;24(3):2923. doi: 10.3390/ijms24032923.
Int J Mol Sci. 2023.
PMID: 36769241
Free PMC article.
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