Functional dependency of structures of ionic liquids: do substituents govern the selectivity of enzymatic glycerolysis?
Functional dependency of structures of ionic liquids: do substituents govern the selectivity of enzymatic glycerolysis?
复制标题
离子液体结构的功能依赖性：取代基是否控制酶促甘油解的选择性？
DOI：
10.1039/b606900b
复制
发表时间：
2006-01-01
影响因子：
3.2
通讯作者：
Xu, Xuebing
中科院分区：
文献类型：
--
作者：
Guo, Zheng;Chen, Biqiang;Xu, Xuebing
通过调节离子液体的取代基来调节可逆多步反应的优先性的概念已经成功地以一组四铵基离子液体作为酶促甘油解的介质来举例说明。同时存在的长链疏水取代基和亲水乙氧基或羟基部分被发现，分别是必不可少的甘油三酯（TG）溶解和平衡移动。在离子液体与阳离子组成的长链和游离羟基的反应，得到显着更高的转化率的TG和更好的偏好单甘油酯的形成。有趣的是，COSMO-RS（量子化学模型程序）的预测结果与实验数据取得了很好的一致，绘制了离子液体的特定溶剂化，并证明离子液体、底物和产物之间的相互作用是决定反应的内在原因。演变和直接平衡移动。
The concept of regulating the preference of a reversible multi-step reaction by adjusting the substituents of ionic liquids (ILs) has been successfully exemplified with a group of tetraammonium-based ionic liquids as medium for the enzymatic glycerolysis. Simultaneous existence of long chain hydrophobic substituents and hydrophilic ethoxyl or hydroxyl moieties is found, respectively, to be essential for triglycerides (TG) dissolving and equilibrium shifting. The reactions in the ILs with cations consisting of long chain and free hydroxyl groups gave markedly higher conversion of TG and better preference to monoglyceride formation. Interestingly the predicted results from COSMO-RS (a quantum chemical model programme) achieved a good agreement with the experimental data, mapping out the specific solvation from the ILs as well as demonstrating the interaction between ILs, substrates and products being the intrinsic causes that govern reaction evolution and direct equilibrium shifting.