zhpsЖурнал прикладной спектроскопииZhurnal Prikladnoii Spektroskopii0514-7506B. I. Stepanov Institute of Physics of the National Academy of Scienceszhps-1284Research Article******Компьютерное моделирование, мультиспектроскопический и деградационный анализ взаимодействия лакказы Trametes versicolor с бисфенолом ЕComputational Simulation, Multi-Spectroscopic and Degradation Analysis of the Interaction between Trametes versicolor Laccase and Bisphenol ELinX.LinXiaolian

Гуйлинь

Guilin

LiuH.LiuHongyan

Гуйлинь

Guilin

lhyglite@126.comXuМ.XuMinhua

Гуйлинь

Guilin

ShiМ.ShiMengjie

Гуйлинь

Guilin

YiZ.YiZhongsheng

Гуйлинь

Guilin

QinL.QinLitang

Гуйлинь

Guilin

ChenH.ChenHuiying

Гуйлинь

Guilin

Главная лаборатория электрохимических и магнитохимических функциональных материалов Гуанси; Колледж химии и биоинженерии Гуйлиньского технологического университетаGuangxi Key Laboratory of Electrochemical and Magneto-Chemical Functional Materials; College of Chemistry and Bioengineering, Guilin University of TechnologyКолледж химии и биоинженерии Гуйлиньского технологического университетаCollege of Chemistry and Bioengineering, Guilin University of TechnologyГлавная лаборатория теории и технологии контроля загрязнения окружающей среды ГуансиThe Guangxi Key Laboratory of Theory and Technology for Environmental Pollution Control20232503202390235210Copyright © Lin X., Liu H., Xu М., Shi М., Yi Z., Qin L., Chen H., 20232023Lin X., Liu H., Xu М., Shi М., Yi Z., Qin L., Chen H.Lin X., Liu H., Xu M., Shi M., Yi Z., Qin L., Chen H.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://zhps.ejournal.by/jour/article/view/1284

Взаимодействие между лакказой Trametes versicolor, одного из основных ферментов, используемых для биоразложения загрязнителей окружающей среды, и бисфенолом E (BPE) изучено с помощью компьютерного моделирования и мультиспектрального анализа. Показано, что BPE может эффективно разлагаться сырой лакказой Trametes versicolor при оптимальных условиях инкубации. Кинетическое исследование использовано для характеристики кинетических особенностей лакказно-каталитической деградации BPE. Результаты расчетов свидетельствуют о том, что реакция может протекать самопроизвольно. Спектральный анализ показывает, что вторичная структура лакказы изменяется после взаимодействия лакказы с BPЕ. Эффективность разложения BPE составляет £93.64% после реакции в течение 6 ч, максимальная скорость каталитической реакции — 1764мг/(л·мин). Реакции описываются кинетическим уравнением первого порядка, когда начальная концентрация субстрата <5 моль/л.

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 oflaccaseis 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·min). The reactions follow a first-order kinetic equation when the initial concentration of the substrate is lower than 5 mol/L.

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The authors declare that there are no conflicts of interest present.