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将计算工具和实验研究结合起来,以缓解内分泌干扰物:对生物催化和吸附过程的审查

Maria Cristina Silva¹, Alexandre A de Castro², Karla Lara Lopes¹

¹Department of Natural Sciences (DCNAT), Federal University of São João del-Rei, São João del Rei, Brazil.

|October 3, 2023

概括

内分泌干扰剂 (EDC) 带来了环境挑战. 本综述探讨了用于EDC去除的基于酶和吸附技术,强调了开发更有效缓解策略的计算工具.

科学领域:

环境科学环境科学
生物技术是生物技术.
计算化学计算化学

背景情况:

内分泌干扰物 (EDC) 是复杂化学成分的新兴污染物,带来了重大的环境挑战.
传统的治疗方法往往无法完全去除EDC,因此需要先进的替代方法.
使用降解酶的吸附过程和生物催化是缓解EDC的有希望的环保方法.

研究的目的:

审查EDC的发生,分类和毒性.
专注于基于酶和吸附技术,从环境矩阵中消除EDC.
解决缺乏关于吸附机制和酶-EDC相互作用的理论讨论的问题.

主要方法:

对当前EDC处理技术的文献综述.
强调吸附性和基于酶的降解方法.
探索诸如分子对接和动态等计算工具.

主要成果:

吸附过程和生物催化是EDC去除的关键替代方案.
在理论上对吸附机制和酶-EDC相互作用的理解存在差距.
计算方法可以阐明这些相互作用,并指导技术的发展.

结论:

计算工具,包括分子对接和动态,对于理解EDC缓解机制至关重要.
这些工具可以帮助设计新型吸附剂和高效的生物催化工艺.
将理论计算与实验研究相结合,将加速开发有效的EDC缓解技术.

关键词:

吸附方式吸附方式吸附方式计算化学是一种计算化学.消除内分泌干扰物的去除酶是一种酶.污水处理污水处理污水处理

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