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DFT study of the radical scavenging activity of isoxanthohumol, humulones (α-acids) and iso-α-acids from beer
Abstract Humulones and iso-humulones are potent natural antioxidants found in beer. In this study, density functional theory (DFT) method was applied for elucidating the structure-antioxidant activity relationship and molecular mechanism of antioxidant activity of eight bioactive humulones previously identified in different beer samples: isoxanthohumol, ( R )- and ( S )-adhumulone, cis - and trans -iso-adhumulone, cis - and trans -iso-n-humulone, and desdimetyhyl-octahydro-iso-cohumulone....
Download 2021 Miljan Bigović , Dušanka Milojković-Opsenica , Petar Ristivojević , Maja Vitorović-Todorović , Mire Zloh , Ilija N. Cvijetić
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