Lock and key-based nanozyme model to understand the substituent effect on the hydrolysis of organophosphate-based nerve agents by Zr-incorporated cerium oxide

Abstract

Nanozymes are efficient class of synthetic enzymes capable of performing multi-step redox sensitive enzyme mimetic reactions on their surface with high turnover frequency and recyclability. It has been shown that the introduction of vacancies on the CeO2 surface transforms it into phosphotriesterase-like mimetic nanozyme, which can be used for the hydrolysis of neurotoxic organophosphate-based nerve agents. Further, the introduction of Zr in CeO2 nanozyme provides structural stability along with generating vacancies in the surface which can perform simultaneously two-step hydrolysis of the nerve agents. Herein, we describe the reasons for the difference in the degradation pathways used for various substituted organophosphate substrates and the selectivity involved by Zr-incorporated CeO2 nanozyme resembling a lock-and-key fit enzyme model.