Abstract Nanozymes, nanomaterials with enzyme-like activities, are becoming powerful competitors and potential substitutes for natural enzymes because of their excellent performance, including design from scratch, controllable activity, and environmental resistance. In recent years, various nanozymes have been discovered or designed, and gradually applied to molecular detection, biomedical treatment and environmental management. Nevertheless, nanozymes are often regarded as fascinating and confusing black boxes as their catalytic mechanisms remain largely indistinct. Interestingly, recent researches have shed light into these black boxes. It appears that the enzymatic activities of nanozymes are closely related to their size, surface lattice, surface modification and composition, etc. Some regular structure–activity relationships have been elucidated in recent reports. In this review, we systematically summarized the studies on the structure–activity relationship of nanozymes in recent years, aiming to illustrate the catalytic mechanism of nanozymes and clarify the key factors regulating their behavior, so as to provide ideas and inspiration for the de novo design of nanozymes.

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纳米酶的结构和活性：纳米酶从头设计的启示

摘要 纳米酶是一种具有类酶活性的纳米材料，由于其优异的性能，包括从头设计、活性可控和环境耐受性，正在成为天然酶的有力竞争者和潜在替代品。近年来，各种纳米酶被发现或设计，并逐渐应用于分子检测、生物医学治疗和环境管理。然而，纳米酶通常被认为是迷人且令人困惑的黑匣子，因为它们的催化机制在很大程度上仍不清楚。有趣的是，最近的研究揭示了这些黑匣子。看来纳米酶的酶活性与其大小、表面晶格、表面改性和组成等密切相关。最近的报告阐明了一些规则的结构-活性关系。本综述系统总结了近年来纳米酶构效关系的研究，旨在阐明纳米酶的催化机理，阐明调控其行为的关键因素，为从头设计提供思路和启示。纳米酶。