Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of (1)H NMR Chemical Shifts

As the knowledge of the predominant molecular structure of antioxidant and anticancer flavonoid rutin in solution is very important for understanding the mechanism of action, a quantum chemical investigation of plausible rutin structures including solvent effects is of relevance. In this work, DFT c...

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Publicado en:ChemistryOpen
Autores principales: De Souza, Leonardo A., Da Silva, Haroldo C., De Almeida, Wagner B.
Formato: Artigo
Lenguaje:Inglês
Publicado: John Wiley and Sons Inc. 2018
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6234759/
https://ncbi.nlm.nih.gov/pubmed/30460171
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800209
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