Ontology highlight
ABSTRACT:
SUBMITTER: Spiegel M
PROVIDER: S-EPMC8122748 | biostudies-literature | 2021 Apr
REPOSITORIES: biostudies-literature
Spiegel Maciej M Gamian Andrzej A Sroka Zbigniew Z
Molecules (Basel, Switzerland) 20210422 9
Flavonoids, phenolic acids, and anthocyanidins are widely studied polyphenolics owing to their antiradical activity. Recently, beetroot dyes have drawn an attention as possible radical scavengers, but scant information can be found on this topic. In this study selected compounds were investigated using computational chemistry methods. Implicit water at physiological pH was chosen as the environment of interest. Betalains' dissociation process and electronic structure were examined, as well as th ...[more]