COMP 329 |
| The individual variation within each of the different classes of falvonoids is the number and arrangement of hydroxyl groups. Free radical scavenging capabilities of flavonoids might be due to ionization and proton displacements of hydroxyl groups at pH below physiological conditions, hence restoring intermolecular hydrogen bonding. This study will investigate the correlations between the structural characteristics of major flavonoids to that of their activities in biochemical functions, in particular as scavengers of free radicals and antagonists to the effects of oxidative stress. Structure-activity relationships of a series of antioxidants in relation to the localized hydroxyl groups and the extent of multiple bonds conjugation will be thoroughly explored by studying the kinetics of such scavenging reaction spectrophotometerically. We are also using Density Functional Theory (DFT) to calculate the energy of the minimized and optimized structures of the flavonoids of interests in different solvents. DFT methods will also be used to give an insight into the electronic structures some classes of flavoniods trying to correlate that to their relative antioxidant affinities. |
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Poster Session
6:00 PM-8:00 PM, Tuesday, August 21, 2007 BCEC -- Ballroom Foyer, Poster
Sci-Mix
Division of Computers in Chemistry |