Publications

Call For Papers: Non-Targeted Analysis of the Environment

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This joint Special Issue from Environmental Science & Technology (ES&T) and Environmental Science & Technology Letters (ES&T Letters) is seeking new developments and applications of cutting-edge techniques and data science tools in non-targeted high-resolution mass spectrometry to enable NTA of environmental media, wildlife exposomes, and of the built environment to support human exposome studies. Approaches and applications can range from comprehensive molecular characterization (e.g. formula or structure prediction), to suspect screening of prioritized contaminants, to data acquisition strategies that support unbiased screening and discovery of novel contaminants. Papers that apply or develop open-science tools and resources are particularly encouraged. Submit your manuscript by November 28, 2024.

Topics include, but are not limited to:

  • Advancement of mass spectrometric methods including new sample preparation methods and data processing and prioritization strategies for non-targeted analysis
  • Suspect and non-targeted screening of chemical contaminants across diverse environmental media
  • Non-targeted analysis of the built environment to support human exposome and health studies
  • Identification and characterization of unknown chemicals with non-targeted analysis
  • Advancement of open-science tools and resources for non-targeted analysis

For more information, please check out the announcement at https://axial.acs.org/earth-space-and-environmental-chemistry/call-for-papers-non-targeted-analysis-of-the-environment.

New Publication – Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry

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Recent breakthroughs in High-Resolution Mass Spectrometry (HRMS) have revolutionized chemical analysis, allowing for the detection of thousands of compounds in a single sample without the need for traditional reference standards. Now, a groundbreaking Perspective in Analytical Chemistry explores how computational methods coupled with HRMS are shaping the future of chemical prioritization for ecological and human health.

🔬 Discover the latest strategies for prioritizing chemicals based on their physicochemical properties, structure, exposure, and toxicity, as well as regulatory status.

💡 Dive into innovative “online” and “offline” prioritization techniques that streamline the identification and quantification process, ensuring high-quality research and effective communication of results.

📈 Learn how these cutting-edge methods have already been successfully implemented in the field, uncovering chemicals of elevated risk to both human and ecological environments.

Click here to access the paper: Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry

New Publication – Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances

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The recently published article in Analytical and Bioanalytical Chemistry entitled: Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and polyfluoroalkyl substances presents a framework for evaluating the performance of quantitative non-targeted analysis (qNTA) methods with respect to accuracy, uncertainty, and reliability. New performance metrics are introduced and examined across five quantitative approaches applied to measurements of 29 per- and polyfluoroalkyl substances (PFAS). The purpose of this article is to initiate necessary discussions on the standardization of qNTA performance assessment methods and metrics and to carefully examine sources of error and bias in qNTA studies of chemical stressors.

New Publication – PFAS ghosts: how to identify, evaluate, and exorcise new and existing analytical interference

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The recently published article in Analytical and Bioanalytical Chemistry titled: PFAS ghosts: how to identify, evaluate, and exorcise new and existing analytical interference was a BP4NTA collaborative effort and included EPA, FDA, State laboratories, Industry, and academic researchers. The article aims to address analytical interferences in PFAS studies that use liquid chromatography-mass spectrometry (LC–MS). These interferences can arise when the matrix under study (e.g. surface water, tissue, soil) contains additional compounds that mimic PFAS signals in the instrumentation, leading to false positives. The main goals of this study were to (1) establish a public database for all currently known analytical interferences, (2) allow for the expansion of the database by the scientific community, and (3) to establish guidelines on how to interrogate new data for potential suspected interferents. By sharing this information, this research aims to help reduce troubleshooting time and costs for the research community as well as improve PFAS reporting accuracy in the scientific literature.

NORMAN guidance paper on non-target screening

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NORMAN, a peer organization of BP4NTA with many colleagues from Europe, has recently published a guidance document on suspect and non-target screening in environmental monitoring. The article is open access and available here. BP4NTA content is cited in several places – notably for reporting recomendations!

Congrats to our NORMAN friends on their substantial publication! It looks like an excellent resource for folks interested in NTA.