Cis-trans异构对脂肪酸热氧化行为和HepG2细胞氧化损伤的影响研究

油脂氧化一直是受人关注的重要课题，然而目前关于反式脂肪酸的氧化机制及其氧化产物危害作用的研究甚少。根据顺式不饱和脂肪酸氧化理论和烷烃双键的反应特点，我们推测Cis-trans异构影响脂肪酸热氧化行为并对HepG2细胞氧化损伤造成差异。鉴于此，本项目拟采用油酸为研究对象，利用量子化学密度泛函理论方法对顺式和反式油酸热氧化反应机制进行理论计算，明确其理论机理；构建单一顺式和反式油酸模拟体系研究其氧化产物形成途径；通过体外细胞实验探讨顺式和反式油酸氧化产物对 HepG2细胞的毒性和氧化损伤作用差异。通过现代量子化学理论计算与传统实验相结合方法，从活化能、热力学和氧化动力学等角度阐明Cis-trans异构对油酸热氧化稳定性、氧化产物以及氧化产物对HepG2细胞活性作用的影响，以便为其他TFAs氧化产物形成和危害作用机制的研究提供理论基础，同时为预防TFAs氧化产物的潜在危害风险提供科学依据。

Lipid oxidation has always been an important topic that attracts people's attention. However, there are few studies on the oxidation mechanism of trans-unsaturated fatty acids and their oxidation products’ harm. According to the cis-unsaturated oxidative oxidation theory and the reaction characteristics of alkane double bonds, it was speculated that cis-trans isomerism affects the thermal oxidation behavior of fatty acids and causes their different oxidative damage in HepG2 cells. This project intends to calculate and clarify the theoretical mechanism on the thermal oxidation of cis/trans oleic acid by density functional theory using oleic acid as the material. Establishing a single cis/trans oleic acid simulation system to explore the formation pathway of their oxidation products. In addition, using cell model in vitro to explore different toxicity and oxidative damage of cis-trans oleic acids oxidation products to HepG2 cells. Combining quantum chemical theoretical calculation and traditional experiments to investigate the effects of cis-trans oleic acid isomerism on the thermal oxidation stability, as well as the damage effects of their oxidation products to HepG2 cells based on activation energy, thermodynamics, and oxidation kinetics. This project provides a theoretical basis for the researches on the formation and harm mechanism of other trans-unsaturated fatty acid oxidation products. It also provides a scientific basis for preventing the potential hazard risks of trans-unsaturated fatty acid oxidation products.