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 no:ChemistryOpen
Main Authors: De Souza, Leonardo A., Da Silva, Haroldo C., De Almeida, Wagner B.
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2018
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Acesso em linha: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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