N435 Enzymatic Degradation Difference and Molecular Modeling of Hydrophilic Modified PBS-based Copolymer

作者：Zhang Min^*; Zhang Yi; Li Chengtao; Qin Jiaxiang; Gao Rang; Ma Xiaoning; Qiu Jianhui

来源：Chemical Journal of Chinese Universities, 2015, 36(3): 568-574.

DOI：10.7503/cjcu20140966

• Polybutylene succinate
• Oxygen ether bond
• Lipase Novozym 435
• Enzymatic degradation
• Molecular docking simulation

By lipase Novozym435, enzymatic degradation of copolymers poly(butylene succinate-diglycolic butanediol) ester [P(BS-co-BDGA)] and poly(butylene succinate-diethylene glycol succinate) ester [P(BS-co-DEGS)] which contain ether oxygen bond at different positions of alcohol binding segment and acid binding segment in the main chain of PBS, was performed in the aqueous system. And molecular (locking simulations explore the recognition of enzyme on hydrophilic substrate and the interaction mechanisms. In order to study the degradation law of PBS modified copolymers, the mass loss rate, hydrophilicity and thermal properties of the copolymer films and the degradation products were investigated. The results show that with the passage of time, mass loss rate of the copolymer films is increased, increasing the hydrophilicity and the thermal decomposition temperature; after degradation for 5 d, oligomeric species of P(BS-co-BDGA) are more than P(BS-co-DEGS). Combined with the results of molecular docking, P(BS-co-BDGA) ester bond of ether bond in an acid binding segment docking with the Novozym435 enzyme active sites is more stable than P(BS-co-DEGS) ester bond of ether bond in an alcohol binding segment, so under the action of the enzyme. The degradation effect of P(BS-co-BDGA) is better than P(BS-co-DEGS); and in the synthesized composition range, when the addition amount of DGA is 20% (molar fraction), degradation effect is best.

• 出版日期2015-3-10
• 单位陕西科技大学