迷迭香酸抗氧化作用的动力学及分子机制研究

This program aims at researching the electronic structure and spin density of rosmarinic acid by NMR, IR, Raman spectra and DFT theoretical calculation. The antioxidant activity sites and the relations between antioxidant activity and structure of rosmarinic acid will be analyzed. The antioxidant activity of rosmarinic acid will be researched by dynamics analysis in oil system.The antioxidant mechanism of rosmarinic acid will be deduced through the results of experimental dates and theoretical calculation, which is applied to more understand the antioxidant reactions of polyphenolic compound. More favorable basis for designing and synthesis of more efficient and non-toxic natural antioxidants will be provided in this project.

本项目旨在通过NMR、IR、Raman光谱法和DFT理论计算来研究迷迭香酸的电子结构、自旋密度分布等特性来分析其抗氧化活性位点及其结构－抗氧化性的关系，并利用动力学研究迷迭香酸在不同油脂体系中的抗氧化活性，结合实验数据和理论分析推测出迷迭香酸的抗氧化机理，为完善多酚化合物的抗氧化机理和设计合成更高效、无毒的天然抗氧化剂提供有利的依据。

研究了迷迭香酸对DPPH自由基的清除能力以及其反应动力学、总抗氧化能力、还原能力以及迷迭香酸在食用油中的应用研究，得出了迷迭香酸具有较强的抗氧化活性和添加迷迭香酸的花生油的自动氧化反应为一级反应和活化能为4.27×104 kJ/mol。