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首页> 外文期刊>RSC Advances >A correlation between the degradability of poly(butylene succinate)-based copolyesters and catalytic behavior with Candida antarctica lipase B
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A correlation between the degradability of poly(butylene succinate)-based copolyesters and catalytic behavior with Candida antarctica lipase B

机译：丁二酸丁二醇酯基共聚酯的降解性与南极假丝酵母脂肪酶B催化性能的相关性

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摘要

Polyesters can be degraded by Candida antarctica lipase B (CALB). Herein, the poly(butylene succinate) (PBS) based random copolyesters of a third monomer 1,3-propanediol (PDO), 1,5-pentanediol (PeD) and 1,6-hexanediol (HDO) were successfully synthesized using a melt polycondensation method, and the action of CALB in the buffer solution for 5 days was studied to analyze the degradation mechanism of the copolyesters with high number average molecular weight. Molecular simulations were employed to investigate the binding free energy and interaction between copolyesters and enzymes during degradation. In addition, the weight loss rate and liquid chromatography-mass spectrometry (LC-MS) were used to evaluate the degradability of the synthesized materials. The results showed that the degradation percentage of copolyesters modified with a third monomer were higher than that of pure PBS, with the order of the degradation performance being P(BS-co-PeD) > P(BS-co-HDO) > P(BS-co-PDO) > PBS. Notably, the maximum value, achieved in P(BS-co-20%PeD), was 85%. Molecular dynamics and docking simulations revealed the changes in CALB amino acid residues and binding free energy, demonstrating that both P(BS-co-PeD) and P(BS-co-HDO) polyesters can interact strongly with CALB, which can explain the enzymatic degradation behavior of the copolyesters from the molecular point of view. This research provides a new perspective in the study of interactions between lipase and polyesters.
机译：南极念珠菌脂肪酶B（CALB）可以降解聚酯。在这里，成功地使用熔融方法合成了第三单体1,3-丙二醇（PDO），1,5-戊二醇（PeD）和1,6-己二醇（HDO）的聚丁二酸丁二酯（PBS）基无规共聚酯。研究了缩聚法和CALB在缓冲液中5天的作用，以分析数均分子量高的共聚酯的降解机理。分子模拟被用来研究降解过程中结合自由能以及共聚酯和酶之间的相互作用。另外，使用失重率和液相色谱-质谱法（LC-MS）评价合成材料的降解性。结果表明，第三单体改性的共聚酯的降解率高于纯PBS，其降解性能的顺序为P（BS- co <​​/ em> -PeD）> P（BS- co <​​/ em> -HDO）> P（BS- co <​​/ em> -PDO）> PBS。值得注意的是，P（BS- co <​​/ em> -20％PeD）达到的最大值为85％。分子动力学和对接模拟揭示了CALB氨基酸残基和结合自由能的变化，表明P（BS- co <​​/ em> -PeD）和P（BS- co <​​/ em>- HDO）聚酯可以与CALB发生强烈相互作用，这可以从分子角度解释共聚酯的酶促降解行为。该研究为脂肪酶与聚酯之间相互作用的研究提供了新的视角。

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