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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Vydáno v:Front Chem
Hlavní autoři: Parise, Angela, De Simone, Bruna Clara, Marino, Tiziana, Toscano, Marirosa, Russo, Nino
Médium: Artigo
Jazyk:Inglês
Vydáno: Frontiers Media S.A. 2021
Témata:
Chemistry
On-line přístup: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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