4.6 Article

Structure-Activity Relationship of Flavonoids Active Against Lard Oil Oxidation Based on Quantum Chemical Analysis

Journal

MOLECULES
Volume 14, Issue 1, Pages 46-52

Publisher

MDPI
DOI: 10.3390/molecules14010046

Keywords

Flavonoid; Structure-Activity Relationship; Quantum Chemistry; Antioxidant

Funding

  1. National Natural Science Foundation of China [20806029]
  2. Science and Technology Plan of Henan Institute of Science and Technology [7040]

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In this study, the antioxidant activities of 15 flavonoids against lard oil oxidation were determined by using the Rancimat test. Quercetin, dihydromyricetin, luteolin and kaempferol showed the strongest antioxidant activity, with protection factor values (PF) of 11.50, 11.29, 4.24 and 2.49, respectively. The role of conjugated hydroxyl groups of the B and C ring is discussed. By using the following descriptors: Delta H-f (the difference in heat of formation between flavonoids and their free radicals resulted after hydrogen atom donation) and H-BC (the number of conjugated hydroxyl groups of the B and C ring), the result obtained in the antioxidant Rancimat test could be successfully explained.

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