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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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Foilsithe in:ChemistryOpen
Main Authors: De Souza, Leonardo A., Da Silva, Haroldo C., De Almeida, Wagner B.
Formáid: Artigo
Teanga:Inglês
Foilsithe: John Wiley and Sons Inc. 2018
Ábhair:
Rochtain Ar Líne: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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