Computational Simulation, Multi-Spectroscopic and Degradation Analysis of the Interaction Between Trametes versicolor Laccase and Bisphenol E

作者：Lin, Xiaolian; Liu, Hongyan^*; Xu, Minhua; Shia, Mengjie; Yi, Zhongsheng; Qin, Litang; Chen, Huiying

来源：Journal of Applied Spectroscopy, 2023, 90(2): 466-475.

DOI：10.1007/s10812-023-01555-1

• bisphenol E
• computational simulation
• degradation
• spectral analysis
• Trametes versicolor laccase

Trametes versicolor laccase, one of the main enzymes used for the biodegradation of environmental pollutants, has received much attention in the degradation of phenolic pollutants. In this study, the binding energy between the Trametes versicolor laccase and bisphenol E (BPE) is first calculated by means of computational simulation. Moreover, the interaction between Trametes versicolor laccase and bisphenol E is studied with multi-spectroscopy. The results show that bisphenol E can be effectively degraded by crude Trametes versicolor laccase under optimal incubation conditions. The kinetic study is used to characterize the kinetic features of the laccase-catalytic degradation of BPE. The calculation results suggest that the reaction can proceed spontaneously. Spectral analyses show that the secondary structure of laccase is changed after the interaction between laccase and bisphenol E. The degradation efficiency of BPE is up to 93.64% after reacting for 6 h, and the maximum catalytic reaction rate is 0.1764 mg/(L center dot min). The reactions follow a first-order kinetic equation when the initial concentration of the substrate is lower than 5 mol/L.

• 单位
  桂林理工大学