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A Framework for Utilizing High-Resolution Mass Spectrometry and Non-Targeted Analysis in Rapid Response and Emergency Situations
Citation:
Phillips, A., A. Williams, J. Sobus, E. Ulrich, J. Gundersen, C. Miller, AND S. Newton. A Framework for Utilizing High-Resolution Mass Spectrometry and Non-Targeted Analysis in Rapid Response and Emergency Situations. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, 41(5):1117-1130, (2022). https://doi.org/10.1002/etc.5196
Impact/Purpose:
Rapid response scenarios involving unknown chemicals are common. While non-targeted analysis (NTA) approaches can aid in unknown chemicals identification, they have not been widely utilized in rapid response scenarios likely because time constraints involved in a rapid response do not allow for the rigorous data analysis required to perform NTA. The EPA has developed tools to streamline NTA data processing which now make NTA a more viable tool in rapid response scenarios. Therefore, it is important that EPA explore the possibility and practicality of using NTA as a companion to current use low-resolution targeted and screening methods to better characterize potential risk. Ultimately, an emergency response team equipped with state-of-the-art tools like HRMS instruments and cheminformatic platforms facilitating high-throughput NTA workflows and rapid toxicity comparison could be better prepared to assess unknown chemical releases compared to those relying on low-resolution methods alone.
Description:
Unknown chemical releases constitute a large portion of the rapid response situations to which the US Environmental Protection Agency is called on to respond. Workflows used to address unknown chemical releases currently involve screening for a large array of known compounds using many different targeted methods. When matches are not found, expert analytical chemistry knowledge is used to propose possible candidates from the available data, which generally includes low-resolution mass spectra and situational clues such as the location of the release, nearby industrial operations, and other field-reported facts. The past decade has witnessed dramatic improvements in capabilities for identifying unknown compounds using high-resolution mass spectrometry (HRMS) and nontargeted analysis (NTA) approaches. Complementary developments in cheminformatics tools have further enabled an increase in NTA throughput and identification confidence. Together with the expanding availability of HRMS instrumentation in monitoring laboratories, these advancements make NTA highly relevant to rapid response scenarios. In this article, we introduce the concept of NTA as it relates to rapid response needs and describe how it can be applied to address unknown chemical releases. We advocate for the consideration of HRMS-based NTA approaches to support future rapid response scenarios.
URLs/Downloads:
DOI: A Framework for Utilizing High-Resolution Mass Spectrometry and Non-Targeted Analysis in Rapid Response and Emergency Situations
https://pubmed.ncbi.nlm.nih.gov/34416028/