Bioremediators are cells or non-living subcellular entities of biological origin employed to degrade target pollutants. Rational, mechanistic design can substantially improve the performance of bioremediators for applications, including waste treatment and food safety. We highlight how such improvements can be informed at the cellular level by theoretical observations especially in the context of phenotype plasticity, cell signaling, and community assembly. At the molecular level, we suggest enzyme design using techniques such as Small Angle Neutron Scattering and Density Functional Theory. To provide an example of how these techniques could be synergistically combined, we present the case-study of the interaction of the enzyme laccase with the food contaminant aflatoxin B1. In designing bioremediators, we encourage interdisciplinary, mechanistic research to transition from an observation-oriented approach to a principle-based one.

中文翻译：

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设计生物修复剂：机械模型指导细胞和分子的专业化。

生物修复剂是用于降解目标污染物的生物来源的细胞或非生物亚细胞实体。合理的机械设计可以显着提高生物修复剂在各种应用中的性能，包括废物处理和食品安全。我们强调如何通过理论上的观察，尤其是在表型可塑性，细胞信号转导和社区组装的背景下，在细胞水平上告知此类改善。在分子水平上，我们建议使用小角度中子散射和密度泛函理论等技术进行酶设计。为了提供这些技术可以如何协同结合的例子，我们提供了酶漆酶与食品污染物黄曲霉毒素B1相互作用的案例研究。在设计生物修复剂时，我们鼓励跨学科，