食品与机械2024，Vol.40Issue(1)：11-16,6.DOI:10.13652/j.spjx.1003.5788.2023.80405
量子化学计算白藜芦醇与芝麻酚在油脂中的抗氧化协同作用
Quantum chemistry calculation of antioxidant synergistic effect of resveratrol and sesamol in oil
摘要
Abstract
Objective:This study focused on the antioxidant synergistic mechanism between resveratrol and sesamol.Methods:The levels of free radicals and peroxide free radicals in sunflower seed oil were assessed using the 2,2-diphenyl-l-picrylhydrazyl(DPPH)and hydrogen peroxide assays,respectively.The proportion of resveratrol and sesamol were optimized by integrating the measurements with the determination of the induction period.Additionally,quantum chemical simulations were employed to elucidate the underlying reaction processes.Results:Upon heating sunflower seed oil supplemented with resveratrol and sesamol at 180 ℃ for 2 hours,the total content of free radicals was determined as(0.08± 0.03)mol/L and(0.20±0.03)mol/L,respectively,in comparison to(0.44+0.01)mol/L in the control sample.Resveratrol exhibited the highest inhibitory efficiency,while sesamol has the strongest scavenging ability of peroxide radicals.The optimal concentrations for their synergistic effect in purified sunflower seed oil were determined as 1 400,200 mg/kg,and resveratrol had protective effect on sesamol at the degradation rate of 180 ℃.Conclusion:By utilizing quantum chemical methods,it was found that a dynamic equilibrium process exists between the two compounds.As the amount of resveratrol added is seven times that of sesamol,and the reaction is more inclined to supply hydrogen to sesamol radicals by resveratrol.关键词
芝麻酚/白藜芦醇/自由基/量子计算/协同作用Key words
sesamol/resveratrol/free radical/quantum computation/synergistic effect引用本文复制引用
高伟洪,曲潇笛,姚云平,李昌模..量子化学计算白藜芦醇与芝麻酚在油脂中的抗氧化协同作用[J].食品与机械,2024,40(1):11-16,6.基金项目
国家重点研发计划(编号:2019YFC160620202) （编号:2019YFC160620202）
