Atom-pair engineering of single-atom nanozyme for boosting peroxidase-like activity

Shengjie Wei, Wenjie Ma, Minmin Sun, Pan Xiang, Ziqi Tian (), Lanqun Mao (), Lizeng Gao () and Yadong Li ()
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Shengjie Wei: Nankai University
Wenjie Ma: The Chinese Academy of Sciences (CAS)
Minmin Sun: Yangzhou University
Pan Xiang: Chinese Academy of Sciences
Ziqi Tian: Chinese Academy of Sciences
Lanqun Mao: Beijing Normal University
Lizeng Gao: Chinese Academy of Sciences
Yadong Li: Tsinghua University

Nature Communications, 2024, vol. 15, issue 1, 1-12

Abstract: Abstract Constructing atom-pair engineering and improving the activity of metal single-atom nanozyme (SAzyme) is significant but challenging. Herein, we design the atom-pair engineering of Zn-SA/CNCl SAzyme by simultaneously constructing Zn-N4 sites as catalytic sites and Zn-N4Cl1 sites as catalytic regulator. The Zn-N4Cl1 catalytic regulators effectively boost the peroxidase-like activities of Zn-N4 catalytic sites, resulting in a 346-fold, 1496-fold, and 133-fold increase in the maximal reaction velocity, the catalytic constant and the catalytic efficiency, compared to Zn-SA/CN SAzyme without the Zn-N4Cl1 catalytic regulator. The Zn-SA/CNCl SAzyme with excellent peroxidase-like activity effectively inhibits tumor cell growth in vitro and in vivo. The density functional theory (DFT) calculations reveal that the Zn-N4Cl1 catalytic regulators facilitate the adsorption of *H2O2 and re-exposure of Zn-N4 catalytic sites, and thus improve the reaction rate. This work provides a rational and effective strategy for improving the peroxidase-like activity of metal SAzyme by atom-pair engineering.

Date: 2024
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DOI: 10.1038/s41467-024-51022-4

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