A Framework for Utilizing High Resolution Mass Spectrometry and Non-Targeted Analysis (NTA) in Rapid Response and Emergency Situations Abstract

Abstract for SETAC

Impact/Purpose

Chemical releases of unknown compositions occur daily, with over 9,000 calls reporting unknown discharges to the environment logged by the National Response Center (NRC) in 2019 alone. By the very virtue of their unknown identity, these releases pose potential risk to human and ecological receptors in the affected area and cause unique challenges for rapid responders and risk managers called on to characterize, contain, and remediate contamination associated with the event. With a variety of mobile assets bringing analytical capabilities to the site of the event, a broad network of chemists and brick-and-mortar analytical laboratories, and dedicated on-scene coordinators to monitor and direct response efforts, the U.S. Environmental Protection Agency (U.S. EPA) plays a key role in responding to chemical releases in rapid response scenarios. Current approaches used to characterize unknown chemical releases include a suite of low-resolution targeted and screening methods. Several cheminformatic tools developed (or currently in development) at the U.S. EPA, enabling semi-automated non-targeted analysis (NTA) workflows necessary for quick data turnaround times, have made NTA more applicable to emergency risk management. As such, high resolution mass spectrometry (HRMS)-based NTA approaches could improve confidence in chemical identifications made to support on-scene decision making and, in some cases, facilitate quicker response times when a release of an unknown substance occurs. While rarely used in current rapid response protocols, the application of NTA has clear precedent in research involving drinking and surface water monitoring, assessments of illicit drug intake in clinical settings, and both long and short-term evaluation of contaminant mobilization following public health and natural disasters. In light of these examples and recent cheminformatic advancements, we propose a framework for utilizing HRMS and NTA in rapid response and emergency situations. In future efforts, a series of mock scenarios will determine the practicality of our proposed framework. Ultimately, this research will better educate NTA practitioners about the data requirements and timelines governing an effective response, while also disseminating key NTA tools to chemists that support emergency responses.

Citation

Flynn, 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 (NTA) in Rapid Response and Emergency Situations Abstract. SETAC Annual Meeting, Portland, OR, November 14 - 18, 2021.