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鱼油多不饱和脂酰甘油酯非水相酶促合成率与底物摩尔比例、反应温度、溶剂分子性质及溶剂系统中的最初水分含量有密切关系。溶剂分子的量子化学特性对非水相酶促酯化反应具有极为重要的影响。酯化率依溶剂分子最高占有轨道能量的增高及前沿轨道能差的减少而增加。溶剂分子电荷密度、静电势及前沿轨道系数对酯化率无显著影响。说明溶剂分子内不存在作用中心，溶剂分子主要是为非水相酶促酯化反应提供易于形成酶一底物电荷转移复合物的诱导场环境。
The non-aqueous enzymatic synthesis of polyunsaturated fatty acid glycerides of fish oil is closely related to the molar ratio of the substrate, the reaction temperature, the molecular properties of the solvent and the initial moisture content in the solvent system. The quantum chemical properties of solvent molecules have an extremely important effect on the enzymatic esterification of non-aqueous phase. The esterification rate increases with the increase of the energy of the highest occupied molecular orbital and the decrease of the frontal orbital energy. Solvent molecular charge density, electrostatic potential and frontier orbital coefficients had no significant effect on the esterification rate. Indicating that there is no solvent center of the role of molecules, solvent molecules mainly for the non-aqueous enzymatic esterification reaction easy to form enzyme-substrate charge-transfer complexes induced field environment.