Quantum Mechanical Predictions of the Antioxidant Capability of Moracin C Isomers

The antioxidant capability of moracin C and iso-moracin C isomers against the OOH free radical was studied by applying density functional theory (DFT) and choosing the M05-2X exchange-correlation functional coupled with the all electron basis set, 6-311++G(d,p), for computations. Different reaction...

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Bibliografiska uppgifter
I publikationen:Front Chem
Huvudupphovsmän: Parise, Angela, De Simone, Bruna Clara, Marino, Tiziana, Toscano, Marirosa, Russo, Nino
Materialtyp: Artigo
Språk:Inglês
Publicerad: Frontiers Media S.A. 2021
Ämnen:
Chemistry
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC8097241/
https://ncbi.nlm.nih.gov/pubmed/33968905
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2021.666647
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