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Novel Algorithms for Comprehensive Untargeted Detection of Doping Agents in Biological Samples
Fuyu Guan1,2, Youwen You1,2, Savannah Fay1,2
1Department of Clinical Studies, School of Veterinary Medicine, University of Pennsylvania, New Bolton Center Campus, 382 West Street Road, Kennett Square, Pennsylvania 19348, United States.
Analytical Chemistry
|May 21, 2021
Summary
A new untargeted drug detection (UDD) method uses advanced algorithms and liquid chromatography-high-resolution mass spectrometry to identify unknown doping agents in equine plasma, advancing sports anti-doping efforts.
Area of Science:
- Analytical Chemistry
- Biochemistry
- Forensic Science
Background:
- Current targeted doping analysis methods are limited to detecting known substances.
- A need exists for comprehensive detection of both known and emerging doping agents.
Purpose of the Study:
- To develop and validate a novel untargeted drug detection (UDD) methodology for sports doping analysis.
- To overcome the limitations of targeted methods by detecting unknown compounds.
Main Methods:
- Fifty-seven known doping agents were spiked into equine plasma and analyzed as unknowns.
- Liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) was employed for analysis.
- Metabolomic software processed raw data, and novel algorithms (Ratio of the Mean and Outlier Index) were developed for detection.
Main Results:
- The UDD methodology successfully identified 53 of 57 spiked drugs by name or chemical formula.
- Detection limits ranged from picograms to nanograms per milliliter.
- The approach identified xenobiotics and endogenous substances in real race samples, validating its efficacy.
Conclusions:
- This study presents the first fully untargeted drug detection methodology for sports anti-doping.
- The developed UDD approach represents a significant advancement, paving the way for AI-driven detection of doping agents.
