植物油萃取食源性香料中不同极性抗氧化物及其溶解机理研究

The green chemistry development has facilitated green solvent discovery and high value-added valorisation of bioresources. In this work, vegetable oils as alternative green solvents in the extraction of natural bioactive compounds will be investigated, as well as their dissolving mechanisms. Firstly, the database for target bioactive molecules in food-grade spices like rosemary, major and minor components in vegetable oils will be established by the modeling of classic Hansen solubility parameters (HSP) and modern conductor-like screening model for real solvents (COSMO-RS). The theoretical dissolving power of vegetable oils for the target solutes above will be simulated and then verified by real experimental extractions. Secondly, both type and dosage of endogenous surfactants will be optimized for the extraction of phenolic compounds using vegetable oils as solvents, in which dose-effect and structure-activity relationships between hydrophilic antioxidant and lipid oxidation can be disclosed with the help of solvent modeling results so as to ascertain the underlying basis of the more complex supramolecular chemistry beyond polar paradox theory. The last not the least, selected vegetables oils may be also used as optimal solvents in the absolute oil extraction intensified by innovative techniques like ultrasound. This novel process will prove its feasibility under optimal conditions in comparison with conventional organic solvent extraction in terms of procedures, efficiency, composition and the quality of extracts as well. The results in this study can provide new solutions and lay the foundation for both hydrophilic antioxidant extractions in vegetable oils and green productions of vegetable oils with a high oxidative stability, which have important scientific significance and great potential for applications.

“绿色化学”的发展促进了绿色溶剂的研制和生物质资源的高值化利用。为了寻找可替代性绿色溶剂，本项目对植物油溶剂萃取食源性香料中不同极性抗氧化物及其溶解机理进行系统研究。采用传统汉森溶解度模型与现代真实似导体溶剂模型方法为迷迭香等香料中目标活性成分与植物油中主副成分建立数据库，模拟植物油溶剂对目标溶质的溶解力，并与实际萃取结果进行比较验证，揭示植物油内源性表面活性剂种类与水溶性抗氧化萃取物效力之间的量效与构效关系，探明“极性相悖论”背后更复杂的超分子化学理论基础；采用超声波等技术与最优植物油溶剂结合对香料净油进行萃取，并与传统技术在工序、效率、组分、产品品质等方面进行比较，验证植物油作为可替代性绿色溶剂萃取天然抗氧化物的可行性。本研究结果将为天然植物油溶剂萃取水溶性抗氧化物、为食品工业绿色制造高氧化稳定性强化植物油产品奠定理论基础并提供新的技术解决方案，具有重要的科学意义和潜在的应用价值。

本课题对植物油作为可替代性绿色溶剂直接萃取迷迭香中不同极性抗氧化物进行研究，采用汉森溶解度模型（HSP）与真实似导体溶剂（COSMO-RS）模型方法为目标活性成分与植物油中主副成分建立了数据库，模拟了植物油溶剂与目标溶质间的相互作用力，优化了植物油内源性表面活性剂种类和剂量，并与实际萃取结果进行比较，揭示了植物油溶剂的溶解机理。结合Apelblat模型和阿伦尼乌斯方程计算结果，分析不同温度条件下水溶性迷迭香酸在大豆油中的溶解特性，进一步解释其效力与脂肪氧化的关系。结合超声波技术，使用葵花籽油作溶剂进行“生态净油”萃取，优化技术参数后与传统技术在工序、效率、组分、产品品质等方面进行比较，再次验证了植物油作为可替代性绿色溶剂的可行性。另外，HSP模型被发现也可用于油脂萃取可替代性溶剂的快速筛选，COSMO-RS模型可弥补HSP的不足用来更好地预测复杂多组分体系。上述研究为油溶剂萃取水溶性抗氧化物提供新的解决方案，也可为食品工业绿色生产高氧化稳定性植物油及其添加剂产品奠定基础，具有重要的科学意义和潜在的应用价值。