Dissociation Mode of the O–H Bond in Betanidin, pK(a)-Clusterization Prediction, and Molecular Interactions via Shape Theory and DFT Methods

Betanidin (Bd) is a nitrogenous metabolite with significant bioactive potential influenced by pH. Its free radical scavenging activity and deprotonation pathway are crucial to studying its physicochemical properties. Motivated by the published discrepancies about the best deprotonation routes in Bd,...

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Detalles Bibliográficos
Autores principales: Ramírez-Velásquez, Iliana María, Bedoya-Calle, Álvaro H., Vélez, Ederley, Caro-Lopera, Francisco J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9917436/
https://www.ncbi.nlm.nih.gov/pubmed/36769241
http://dx.doi.org/10.3390/ijms24032923

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9917436/
https://www.ncbi.nlm.nih.gov/pubmed/36769241
http://dx.doi.org/10.3390/ijms24032923

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