浸出芝麻油脱色过程中芝麻素与细辛素异构化机制及调控

浸出芝麻油脱色阶段芝麻素通过异构化转化为细辛素，从而赋予其更好的感官及更高的营养价值，是提高芝麻油营养价值的关键因素之一。因此，在芝麻油脱色精炼过程中芝麻素与细辛素的异构化机制就是决定精炼芝麻油价值的关键性科学问题。本项目首先建立芝麻素、细辛素及其异构化中间态的精准检测方案；进而利用量子化学探索芝麻脱色精炼加工过程中芝麻素与细辛素异构化机制，并根据建立的检测方案分析芝麻素与细辛素在脱色过程中的变化规律，验证并得到其在脱色过程中的分子路径；同时研究芝麻素与细辛素的功效差异；根据芝麻素与细辛素的异构化分子路径构建其反应动力学模型，结合其构效差异探究细辛素形成的关键控制节点。本项目旨在阐明芝麻素与细辛素在脱色过程中的分子路径及其关键调控机制。研究成果可为精准控制芝麻油脱色过程芝麻素的转化，提高浸出芝麻油营养价值提供理论基础和技术指导。

During the decolorization stage of sesame oil, sesamin was transformed into ararinin by isomerization, thus giving it better sensory and higher nutritional value, which was one of the key factors to improve the nutritional value of sesame oil. Therefore, the isomerization mechanism of sesamin and ararinin during the decolorization of refinement process for sesame oil was the key scientific issue to determine the value of refinement sesame oil. This project first establishes a precise detection scheme for sesamin, asarone and their isomerization intermediates, and then explores the isomerization mechanism of sesamin and asarone during the process of sesame decolorization refinement by quantum chemistry. According to the established detection scheme, the variation rule of sesamin and asarone during the process of decolorization will be analyzed, and their molecular paths during the process of decolorization will be corrected and studied at the same time. According to the molecular pathway of isomerization of sesamin and asarone, the reaction kinetics model will be constructed, and the key control nodes of asarone formation will be explored based on their structure-activity differences. This project aims to elucidate the molecular pathways and key regulatory mechanisms of sesamin and asarone during decolorization process. The research results could provide theoretical basis and technical guidance for precisely controlling sesamin transformation during sesame oil decolorization, and further improving the nutritional value of sesame oil leaching.