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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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發表在:ChemistryOpen
Main Authors: De Souza, Leonardo A., Da Silva, Haroldo C., De Almeida, Wagner B.
格式: Artigo
語言:Inglês
出版: John Wiley and Sons Inc. 2018
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在線閱讀: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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