日用化学工业（中英文）2026，Vol.56Issue(2)：149-157,9.DOI:10.3969/j.issn.2097-2806.2026.02.002
苦参碱-脂肪酸型低共熔溶剂的微观形成机制研究
A study on the microscopic mechanism for the formation of deep eutectic solvents based on matrine and fatty acids
摘要
Abstract
Deep eutectic solvents(DESs)have great significance for application in the fields of metal processing,organic reactions,and extraction,due to their advantages in ease of preparation,eco-friendliness,safety,and excellent solubility.Matrine(Mat)and fatty acids(FAs)have been widely used in pharmaceuticals and cosmetics because of their biological activities.In this work,the DESs formed by Mat and FAs(Mat-FA DES)were obtained and the microscopic mechanism for formation of DES was systematically investigated at molecular level by experiments and molecular dynamics(MD)simulation.The results showed that there was competition between those interactions in such DESs,including the interaction between Mat and FA(Mat-FA),the self-association of Mat(Mat-Mat)and the self-association of FA(FA-FA).When the Mat-FA interaction dominated,the Mat and FA molecules would be uniformly distributed at molecular level and thus a stable DES was formed with a melting point below 25℃.It should be noted that,when the interaction of FA-FA was weaker in the system,the DES could be formed at higher FA concentration.The present work provided a theoretical support for understanding the formation of Mat-FA DES,which could extend the potential applications of DES systems.关键词
低共熔溶剂/苦参碱/脂肪酸/微观机制/分子动力学模拟Key words
deep eutectic solvent/matrine/fatty acid/microscopic mechanism/molecular dynamics simulation分类
化学化工引用本文复制引用
郭婉黄,叶志晟,亓超灵,周康夫,王飞飞,尚亚卓..苦参碱-脂肪酸型低共熔溶剂的微观形成机制研究[J].日用化学工业（中英文）,2026,56(2):149-157,9.基金项目
国家自然科学基金(No.22308094) （No.22308094）
云南特色植物提取实验室独立研究基金(2024YKZY001,2024YKZY003) （2024YKZY001,2024YKZY003）
中央高校基本科研业务费(222201717003,2022ZFJH004) （222201717003,2022ZFJH004）
