IRMPD Spectroscopy of Bare Monodeprotonated Genistein, an Antioxidant Flavonoid.

ABSTRACT: Genistein is a naturally occurring polyphenol belonging to the family of flavonoids with estrogenic properties and proven antioxidant, anti-inflammatory, and hormonal effects. Genistein and its derivatives are involved in radical scavenging activity by way of mechanisms based on sequential proton-loss electron transfer. In view of this role, a detailed structural characterization of its bare deprotonated form, [geni-H]^-, generated by electrospray ionization, has been performed by tandem mass spectrometry and infrared multiple photon dissociation (IRMPD) spectroscopy in the 800-1800 cm^-1 spectral range. Quantum chemical calculations at the B3LYP/6-311+G(d,p) level of theory were carried out to determine geometries, thermochemical data, and anharmonic vibrational proper

SUBMITTER: Paciotti R 

PROVIDER: S-EPMC9202291 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature