Sessions/Workshops

May 15^th is the deadline to submit an abstract for the SETAC Ft. Worth meeting (Oct 20-24, 2024). We found 7 sessions relevant to the BP4NTA membership, highlighted below. All sessions can be found in Track 4, Chemistry and Exposure Assessment. Session titles include:

• Advanced Monitoring and Assessment Approaches for Improved Treatment of Contaminants of Emerging Concern and PFAS in Wastewater
• Bridging the Gap Between the Unknown and the Known for PFAS Analysis
• Identifying and Linking Environmental Exposure to Biological Effects
• Quantitative Non-Targeted Analysis (qNTA): Bridging the Gap Between Characterization and Quantitation
• The Practicalities of Non-Targeted Analysis To Support Decision Making
• Understanding the Ecological Effects and Rolling Out Solutions for Tire Road Wear Particles and Related Chemicals
• Challenges in PFAS Analyses and Detection

The PNNL m/q Initiative is developing multi-dimensional and integrated experimental and computational methods to unambiguously identify small molecules without the need for authentic reference compounds. This initiative is hosting a symposium at ACS 2024 March 17-18 in New Orleans on the state-of-the-art in reference-free identification using mass spectrometry and featuring key leaders in the community.

The following session will be held at the South East Regional Meeting of ACS in Durham, North Carolina, October 25-28, 2023:

Title: Methods and Applications of High Resolution Mass Spectrometry

Chairs: Elin Ulrich and James McCord

High resolution mass spectrometry (HRMS) instrumentation has utility for answering questions in public health, environmental, agricultural, biological ‘omics, medical, regulatory, and other topic areas. Whether small (e.g., metabolites, pollutants) or large (e.g., proteins) molecules are of interest, HRMS can be a useful data collection tool. Applications of HRMS require care to ensure confident and reproducible detection, identification, classification, and quantification of species of interest – whether known or unknown. This session will discuss development and applications of HRMS across topic areas. Topics of interest for this session include (but are not limited to): instrumentation and related advances (e.g., ion mobility, chromatography/online sample prep, detectors); methods development; performance evaluation for HRMS methods (e.g., selectivity, sensitivity, reporting uncertainty); quality assurance; and real-world applications of HRMS.

The following session will be held at the South East Regional Meeting of ACS in Durham, North Carolina, October 25-28, 2023:

Title: Data Analysis Workflows for Non Targeted Analysis Studies

Chairs: Alex Chao, Antony Williams

Description: Increasingly, chemical monitoring and characterization studies are shifting towards high resolution mass spectrometry (HRMS) based non-targeted analysis (NTA, also called untargeted analysis or non-targeted screening) approaches which allow discovery of a greater scope of chemicals than traditional targeted methods. By their very nature, NTA approaches generate orders of magnitude greater amounts of chemical feature data; in order to identify the most significant and relevant chemicals present, researchers may perform post-acquisition analyses on NTA data, often via automated methods. These analyses range from retrieving chemical analytical data, metadata, and quantitative structure–activity relationship (QSPR) predictions to support chemical identifications, to performing statistical analyses and/or combining data from parallel studies to support prioritization of chemical features. Topics of interest for this session include (but are not limited to): software analyses, chemical databases, chromatography and spectral predictions, statistical analyses, prioritization of features, machine learning analyses, multi-study data integration (i.e., geospatial, temporal, metabolomics, lipidomics, genomics, transcriptomics, etc.), and applications of approaches on real world NTA data.