Pharmacy College, Fujian University of Traditional Chinese Medicine, Fuzhou, China.
Biomed Chromatogr. 2023 Feb;37(2):e5541. doi: 10.1002/bmc.5541. Epub 2022 Nov 26.
In this study, deep eutectic solvent (DES), as a new green solvent, was used to extract bioactive alkaloids from Ephedrae Herba using supersonic extraction. In a variety of tested hydrophilic and hydrophobic DESs, DES composed of choline chloride and xylitol was proved to be the most efficient solvent. Factors affecting extraction efficiency, including the mole ratio of hydrogen bond acceptor/hydrogen bond donor, water contention, and solid/liquid ratio, were optimized individually. Under optimal conditions, the yield of ephedrine (EP) and pseudoephedrine obtained using this new method was 14.24 and 4.32 mg/g, respectively, which was higher than that using the traditional solvent (acidified water and methanol). Furthermore, the extraction mechanism of DES and EP was investigated using molecular dynamics simulation study. Structural properties such as radial distribution functions and average number of hydrogen bonds were then computed. The results showed that hydrogen bonds and van der Waals forces are important driving forces of extraction; in addition, the hydrogen bonds between the Cl atom of choline chloride and N atom of EP played a dominant part in the extraction process. Based on the extraction principle, the extraction method using choline chloride as extraction solvent was also discussed.
在这项研究中，深共晶溶剂 (DES) 作为一种新型绿色溶剂，被用于通过超声提取从麻黄草中提取生物活性生物碱。在各种测试的亲水性和疏水性 DES 中，由氯化胆碱和木糖醇组成的 DES 被证明是最有效的溶剂。单独优化了影响提取效率的因素，包括氢键供体/氢键受体的摩尔比、水含量和固液比。在最佳条件下，使用这种新方法获得的麻黄碱 (EP) 和伪麻黄碱的产率分别为 14.24 和 4.32mg/g，高于使用传统溶剂（酸化水和甲醇）的产率。此外，还使用分子动力学模拟研究了 DES 和 EP 的提取机制。然后计算了结构特性，如径向分布函数和平均氢键数。结果表明，氢键和范德华力是提取的重要驱动力；此外，氯化胆碱的 Cl 原子与 EP 的 N 原子之间的氢键在提取过程中起主导作用。基于提取原理，还讨论了使用氯化胆碱作为提取溶剂的提取方法。
