Recent Advances in Oxidase-like Nanozymes: Mechanisms, Prediction Models, and Applications

Area of Science:

• Nanomaterials Science
• Catalysis
• Biochemistry

Background:

• Nanozymes are nanomaterials with enzyme-like catalytic properties.
• Oxidase (OXD)-like nanozymes have emerged with significant potential across various applications.
• This perspective focuses on recent advancements in OXD-like nanozymes.

Purpose of the Study:

• To systematically review recent progress in OXD-like nanozymes.
• To discuss their catalytic mechanisms, advantages, and applications.
• To explore computational methods for predicting activity and guiding design.

Main Methods:

• Literature review of metals, metal oxides, carbon materials, MOFs, and single/double-atom catalysts.
• Analysis of catalytic mechanisms (4e- and 2e- pathways) for key substrates.
• Examination of first-principles calculations and machine learning applications.

Main Results:

• OXD-like nanozymes exhibit diverse enzyme-like activities.
• Detailed discussion of reaction pathways for substrates like TMB, glucose, and AA.
• Integration of computational approaches for nanozyme design and activity prediction.

Conclusions:

• OXD-like nanozymes offer broad applicability in therapy, sensing, and industry.
• Understanding catalytic mechanisms is crucial for optimizing performance.
• Computational tools are vital for accelerating the rational design of novel nanozymes.