Kinetics and Mechanism of Solvent Influence on the Lipase-Catalyzed 1,3-Diolein Synthesis.
Kinetics and Mechanism of Solvent Influence on the Lipase-Catalyzed 1,3-Diolein Synthesis.
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溶剂对脂肪酶催化1,3-二油酸合成的影响动力学及机理
DOI：
10.1021/acsomega.0c03284
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发表时间：
2020-09-29
期刊：
影响因子：
4.1
通讯作者：
Du W
中科院分区：
文献类型：
--
作者：
ZitianWang;Dai L;Liu D;Liu H;Du W
由于富含1，3-二酰基甘油的油脂能抑制内脏脂肪的沉积，防止体重增加，1，3-二酰基甘油制剂近年来受到越来越多的关注。Lipozyme TL IM催化油酸与单甘油的酯化反应是生产1，3-二酰基甘油的有效方法。在酯化反应过程中，溶剂对双甘油酯的合成和1，3-双甘油酯的合成都有明显的影响。本工作研究了溶剂对酯化反应和Lipozyme TL IM性能影响的相关动力学和机理。结果表明，酯化速率常数和酰基迁移速率常数均与溶剂的logP呈正相关，而脂肪酶的位点专一性与溶剂的logP呈负相关。与甘油酯的1位相比，1-单油酸2位的酰化反应对溶剂logP更为敏感。分子动力学模拟表明，不同logP的溶剂在很大程度上影响了Lipozyme TL IM的结构，包括RMSD、氢键和径向分布函数，从而导致了脂肪酶的催化活性和选择性的变化。
1,3-Diacylglycerol preparation has roused increasing attention in recent years as the 1,3-diacylglycerol-rich oils can suppress the deposition of visceral fat and prevent the body weight increasing. Lipozyme TL IM-mediated esterification of oleic acid with monoolein was effective for 1,3-diacylglycerol production. During the esterification process, the solvent shows obvious influence on the diolein synthesis as well as the 1,3-diolein production. This work investigated the related kinetics and mechanism of the solvent effect on the esterification and Lipozyme TL IM performance. The results indicated that both the esterification rate constant and the acyl migration rate constant positively correlated with the logP of the solvent, while the site specificity of lipase has negative correlation with solvent logP. The acylation toward the 2-position of 1-monoolein was more sensitive to the solvent logP compared to the 1-position of glycerides. Molecular dynamics simulation revealed that solvents with different logP influenced the structure of Lipozyme TL IM including RMSD, hydrogen bond, and radial distribution function to a large extent, which subsequently led to the catalytic activity and selectivity variation of the lipase.
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影响因子：
3.4
作者：
Ducret, A;Trani, M;Lortie, R
通讯作者：
Lortie, R
影响因子：
5.7
作者：
Chen, Zi-Shi;Wu, Yi-Da;Zhu, Jie
通讯作者：
Zhu, Jie
Lipozyme TL IM催化油酸与甘油酯化制备1,3-二油酸酯的研究
影响因子：
--
作者：
Wang, Zitian;Du, Wei;Liu, Dehua
通讯作者：
Liu, Dehua
影响因子：
3.3
作者：
Monhemi, Hassan;Housaindokht, Mohammad Reza;Bozorgmehr, Mohammad Reza
通讯作者：
Bozorgmehr, Mohammad Reza
影响因子：
--
作者：
Diao X;Guan H;Kong B;Zhao X
通讯作者：
Zhao X