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Multidimensional Engineering of Single-Atom Iron Nanozymes for Machine Learning-Assisted Multiplexed Sensing
Bingsong Yan1, Wendong Liu1, Shushu Chu1
1School of Materials Science and Engineering, University of Jinan, Jinan 250022, China.
Analytical Chemistry
|April 29, 2026
Summary
We engineered iron single-atom nanozymes with novel multidimensional coordination for enhanced H2O2 activation. This breakthrough enables sensitive detection of tetracycline antibiotics in water using a smartphone-based device.
Area of Science:
- Materials Science
- Nanotechnology
- Environmental Chemistry
Background:
- Single-atom nanozymes offer potential as alternatives to natural metalloenzymes but require precise structural control for optimal performance.
- Current challenges in nanozyme design include limitations in engineering active sites for efficient catalytic activity.
Purpose of the Study:
- To develop a facile strategy for producing iron single-atom nanozymes with multidimensional coordination engineering (Fe-N3B1/F).
- To investigate the impact of fluorine (F) and boron (B) coordination on the electronic structure and catalytic activity of iron sites.
- To establish a sensor platform for the detection of tetracycline antibiotics using the engineered nanozymes.
Main Methods:
- Synthesis of iron single-atom nanozymes with Fe-N3B1/F coordination.
- Theoretical calculations (e.g., DFT) and experimental characterization to analyze the electronic structure and reaction mechanisms.
- Fabrication of a cross-reactive sensor array integrated with machine learning algorithms.
- Development of a smartphone-based paper analytical device for on-site detection.
Main Results:
- The Fe-N3B1/F nanozymes exhibited significantly enhanced peroxidase-like activity due to modulated coordination environments, overcoming limitations of traditional Fe-N4 sites.
- The sensor array achieved intelligent pattern recognition of four homologous tetracycline antibiotics with approximately 80% accuracy.
- The integrated smartphone-based device enabled rapid, instrument-free quantification of tetracycline antibiotics in environmental water samples.
Conclusions:
- Multidimensional coordination engineering is a powerful strategy for designing high-performance single-atom nanozymes.
- The developed sensor platform demonstrates a multifunctional approach for environmental monitoring of antibiotic residues.
- This work paves the way for advanced, portable analytical devices for real-world applications.
