D-Band-Center-Engineered Platinum-Based Nanozyme for Personalized Pharmacovigilance

Area of Science:

• Materials Science
• Nanotechnology
• Biochemistry

Background:

• Nanozymes offer promising alternatives to natural enzymes in catalysis and sensing.
• Developing high-performance nanozymes with tailored catalytic properties is crucial for advanced applications.
• CO-releasing molecule-3 (CORM-3) analysis requires sensitive and efficient detection methods.

Purpose of the Study:

• To design and screen a high-efficiency nanozyme for sensitive CORM-3 detection.
• To investigate the catalytic mechanism and electronic structure of the nanozyme using computational methods.
• To evaluate the practical application of the nanozyme in drug metabolism.

Main Methods:

• Screening of a platinum-zinc-cadmium (PtZnCd) nanozyme using density functional theory (DFT).
• Evaluation of peroxidase-like (POD-like) catalytic activity and comparison with related nanozymes (PtZn, PtCd, Pt).
• In vitro and in vivo validation in zebrafish and mice models for drug metabolism assessment.

Main Results:

• The PtZnCd nanozyme exhibited significantly higher POD-like reactivity (72.89 min⁻¹) compared to PtZn, PtCd, and Pt.
• DFT calculations revealed enhanced d-orbital coupling in PtZnCd, leading to improved electron transfer and catalytic efficiency.
• The nanozyme demonstrated successful application in drug metabolism studies, validating its practical utility.

Conclusions:

• Transition-metal doping, specifically PtZnCd, is an effective strategy for engineering high-performance nanozymes.
• The PtZnCd nanozyme offers a sensitive and efficient platform for CORM-3 analysis and drug metabolism evaluation.
• Unique d-orbital coupling features are key to the enhanced catalytic performance of the designed nanozyme.