Quantitative non-targeted analysis: Bridging the gap between contaminant discovery and risk characterization
James P McCord1, Louis C Groff2,3, Jon R Sobus2
1Center for Environmental Measurement and Modeling, Office of Research and Development, U.S. Environmental Protection Agency, 109 T.W. Alexander Drive, Research Triangle Park, NC 27711, USA.
Environment International
|April 7, 2022
Summary
Non-targeted analysis (NTA) methods are advancing to provide quantitative chemical data. This enables better risk assessment and management for a growing number of chemicals.
Area of Science:
- Environmental Chemistry
- Toxicology
- Analytical Chemistry
Background:
- Traditional chemical risk assessments rely on targeted analytical methods, which struggle to keep pace with the increasing number of chemicals.
- Non-targeted analysis (NTA) has been used qualitatively for chemical identification and hazard assessment, but quantitative interpretation remains a challenge.
- Limited quantitative data from NTA hinders its direct application in risk-based decision-making.
Purpose of the Study:
- To highlight the influence of NTA data on chemical risk assessment processes.
- To survey existing literature on deriving quantitative estimates from NTA measurements.
- To present a framework for integrating NTA data into modern risk assessment.
Main Methods:
- Review of current chemical risk assessment paradigms and analytical methodologies.
- Survey of literature on quantitative approaches for NTA data interpretation.
- Development of a conceptual framework for NTA data integration.
Main Results:
- Advancements in NTA are bridging the gap towards quantitative data interpretation.
- Quantitative NTA data, combined with other high-throughput data and predictive models, can support risk-based decisions.
- Existing literature provides various approaches for deriving quantitative chemical estimates from NTA.
Conclusions:
- Quantitative NTA data is poised to become a valuable tool for 21st-century chemical risk assessment.
- The proposed framework facilitates the incorporation of NTA into contemporary risk assessment practices.
- This integration will enhance the ability to manage risks associated with a vast and growing chemical landscape.
