Kinetic modeling of the reversal of antioxidant potency of α-, β-, γ- and δ-tocopherols in methyl linoleate peroxidation

Levon Tavadyan, Sona Martoyan, Gaspar Kocharyan, Afaf Kamal-Eldin

Research output: Contribution to journalArticlepeer-review

Abstract

Extended, chemically detailed kinetic models at the molecular basis are constructed to identify the reactions involved in the reversal of the antioxidant action of α-, β-, γ- and δ-tocopherols during methyl linoleate oxidation. The reaction mechanisms were numerically simulated and subjected to analysis to quantify the significance of individual chemical steps by the value-based method. Results of the obtained kinetic models agreed well with the experimental data. The significant individual reactions contributing to the observed antioxidant and pro-oxidant behavior of the different tocopherols were identified. It is revealed that the reverse order of antioxidant potency and a complex nonlinear dependency of the antioxidant potency of tocopherols with the increase in their concentration are due to the increasing contribution of pro-oxidant relative to the antioxidant reactions. Once the approach presented here can be applied to more complex systems, engineered optimization of antioxidant protection strategies may be reached.

Original languageEnglish
Article number134866
JournalFood Chemistry
Volume406
DOIs
Publication statusPublished - Apr 16 2023

Keywords

  • Antioxidants
  • Kinetic model
  • Lipid peroxidation
  • methyl linoleate (PubChem CID: 5284421)
  • Numerical simulation
  • Tocopherols
  • Vitamin E
  • α-tocopherol (PubChem CID: 1742129)
  • β-tocopherol (PubChem CID: 6857447)
  • γ-tocopherol (PubChem CID: 92729)
  • δ-tocopherol (PubChem CID:92094)

ASJC Scopus subject areas

  • Analytical Chemistry
  • Food Science

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