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Published on: November 10, 2016
Machine Learning-Assisted Surface Ligand Engineering Strategy for Enhanced Sensitivity of Immunoassay Platform
Jinbo Cao1, Tiemei Li2, Yao Wang2
1Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, GDMPA Key Laboratory for Process Control and Quality Evaluation of Chiral Pharmaceuticals, School of Chemistry, South China Normal University, Guangzhou 510006, Guangdong, P. R. China.
Analytical Chemistry
|June 5, 2026
Summary
We developed a new nanozyme (D-PtPdOs) with enhanced catalytic activity for detecting Pseudomonas aeruginosa. This nanozyme, combined with machine learning, enables ultrasensitive and intelligent point-of-care diagnostics.
Area of Science:
- Biomaterials Science
- Nanotechnology
- Analytical Chemistry
Background:
- Nanozymes offer potential for point-of-care (POC) diagnostics but suffer from limited catalytic activity.
- Surface engineering is crucial for enhancing nanozyme performance in clinical applications.
Purpose of the Study:
- To develop a trimetallic nanozyme (D-PtPdOs) with superior peroxidase-like activity via surface charge-transfer ligand modulation.
- To integrate the enhanced nanozyme with machine learning (ML) algorithms for ultrasensitive and intelligent detection of *Pseudomonas aeruginosa* ( *P. aeruginosa*).
Main Methods:
- Surface engineering of trimetallic nanoparticles using charge-transfer ligands (d-histidine) to tune electron density.
- Density functional theory (DFT) calculations to elucidate the mechanism of enhanced catalytic activity.
- Integration of the D-PtPdOs nanozyme into enzyme-linked immunosorbent assay (ELISA) and lateral flow immunoassay (LFIA) platforms.
- Application of ML algorithms for high-precision classification and quantitative prediction of *P. aeruginosa* infection levels.
Main Results:
- The D-PtPdOs nanozyme exhibited significantly enhanced peroxidase-like activity compared to natural horseradish peroxidase (HRP).
- DFT calculations confirmed enhanced H2O2 adsorption and reduced activation energy barrier due to d-histidine modification.
- D-PtPdOs-based ELISA and LFIA platforms achieved 14.58-fold and 250-fold sensitivity enhancements, respectively, over conventional methods.
- ML integration enabled accurate *P. aeruginosa* detection in complex human blood samples, mitigating matrix interference.
Conclusions:
- Surface ligand engineering is a viable strategy to overcome catalytic limitations in nanozymes.
- The D-PtPdOs nanozyme offers a promising alternative to HRP for ultrasensitive immunoassays.
- The integration of nanozymes, ML, and immunoassays advances the development of intelligent POC diagnostic platforms.
