2025 BP4NTA Election

We are pleased to have three excellent candidates running in the 2025 election for BP4NTA steering committee members! All paid members are eligible to vote and will receive an email with voting instructions. Due to complications with website upgrades creating difficulties with membership renewals this year, anyone with a paid membership as of September 1, 2025 or later is eligible to vote in 2025. Though the election this year is not competitive, we still require a quorum of eligible voters to participate in order to appoint the new steering committee members. Get you votes in!

Vice Chair: Dr. Natalia Soares Quinete

(3 year term of vice chair/chair/past chair)

I’m Dr. Natalia Soares Quinete, and I’m honored to be considered for the role of Chair of the BP4NTA Steering Committee. Currently, I’m an Associate Professor in the Department of Chemistry and Biochemistry at Florida International University (North Miami, FL). My research focuses on the assessment and understanding of persistent organic pollutants and emerging contaminants —their sources, distribution, fate in environmental and biological systems, and potential impacts on human and animal health. To support this work, I’ve been developing and advancing analytical methods and tools for non-targeted analysis using mass spectrometry. Many of you may already know me through my participation in the ENTACT project led by the U.S. EPA, and as a member of the BP4NTA community since 2018. Over the years, I’ve contributed to leadership roles, serving as Chair of the Publications Committee, and actively participating in working groups such as the ChemSpace Tool, PFAS Working Group, and the Study Reporting Tool. These efforts have focused on promoting best practices and fostering collaboration across academic, governmental, and industry sectors. As Chair, my vision is to continue strengthening the impact of our network by promoting and refining best practices in non-targeted analysis, expanding partnerships across diverse sectors, and broadening participation and collaboration, especially from underrepresented regions and institutions.

I am deeply committed to BP4NTA and excited about the opportunity to help guide our community forward.

Operations Liaison: Anna Feerick

(2 year term)

Anna Feerick is a sixth-year graduate student at the University of California, Davis, and focuses on developing non-targeted prioritization approaches and machine learning applications to define chemical space. Since joining BP4NTA in 2022, she has been a member of the website management team and helped author a review paper on the chemical exposome. She has spent the last year as the webmaster and LinkedIn manager for BP4NTA and is looking to expand her responsibilities as the Operational Liaison. In addition to this work, she serves as the co-lead of the GC-NTA subgroup and is excited to continue BP4NTA’s communications with the broader non-targeted community.

Treasurer: Dr. Carrie McDonough

(2 year term)

I am an Associate Professor of Chemistry at Carnegie Mellon University, where I study bioaccumulation and toxicokinetics of novel and known organic contaminants. I use high-resolution mass spectrometry and bioanalytical tools to understand how external exposure to complex contaminant mixtures translates to internal dose. I look forward to getting more involved in BP4NTA and contributing to the community!

September Meeting: Dr. Jeremy Koelmel

Please join us for our monthly meeting on September 16th, 12 pm EST. Our featured speaker is Jeremy Koelmel, an Associate Research Scientist in Epidemiology at the Yale School of Public Health, who will present on “Non-Targeted Analysis in Exposomics: Global Perspectives from the NEXUS International Survey.”

Abstract: In this presentation, we will discuss the essential role of non-targeted analysis in exposomics, and assess the multi-omics landscape of measurement science covering: lipidomics, metabolomics, xenobiotics, adductomics, and other approaches. Results are based on a survey conducted with over 150 participants (including a large presence of BP4NTA members!) and consisting of over 200 questions, giving both high-level and granular information pertaining to multi-omics analysis. Results we will cover include the types of matrices analyzed, instrumentation and software used, and chemical coverage. Community strategies in sample preparation, acquisition, and data-processing methods will also be discussed.  Beyond the survey we will also discuss other Network for EXposomics in the U.S. (NEXUS) initiatives including the development of training materials for non-targeted analysis and exposomics and a user-friendly platform for processing non-targeted analysis data. NEXUS is a U24 Center for Exposome Research Coordination. NEXUS serves the broad biomedical research community by coordinating and advancing exposome research. The Center engages existing and ongoing exposome initiatives around the globe to promote methodological advancement and best practices, provide training and education, and foster national and international collaborations.

Please email us if you are having trouble accessing the Zoom meeting.

August Meeting: David Weil

Please join us for our monthly meeting on August 19th, 12 pm EST. Our featured speaker is David Weil, a Master Applications Scientist at Agilent who will present on “Challenges and Best Practices for Extractable and Leachable Nontargeted Analysis”

Abstract: Extractable Leachable (E&L) analysis is just one of the many application areas that currently utilize nontargeted data analysis workflows.  As pointed out in the recent publication from the BP4NTA group, E&L analysis faces many challenges starting with the complex nature of polymer extract samples and ending with compound identification.  The talk will start by giving a brief overview of E&L analysis; then overview the regulatory landscape and recent push for standardization, emphasize how “good” chromatography matters to reduce false positives and enhance separation/sensitivity and wrap up by talking about methods to improve compound identification leveraging third-party online content.  During the talk I will be give “Tips and Tricks” on ways to improve the quality of data being collected (MS and MSMS modes) and examples of where NTA required manual intervention.

Please email us if you are having trouble accessing the Zoom meeting.

July Meeting: Dr. Carrie McDonough

Please join us for the monthly BP4NTA meeting on July 22 at 12 pm US Eastern Time. Note that this is delayed a week from our normal schedule due to a speaker conflict! The Zoom link was sent out in an email to all BP4NTA members. Please email BP4NTA directly if you’d like access and have not received the email. Our featured speaker is Carrie McDonough, who will present on her work on PFAS using high-resolution mass spectrometry (HRMS), ion mobility spectrometry (IMS), and FluoroMatch

Abstract: We are continuously exposed to mixtures of per/polyfluoroalkyl substances (PFASs) via drinking water, diet, indoor dust, and commercial products. These mixtures include highly persistent perfluoroalkyl acids (PFAAs) and their precursors. There are thousands of PFAS precursors (i.e., PFASs that can be transformed via environmental and biological processes to form PFAAs) with a wide range of physical/chemical properties. However, few of these compounds are available as neat standards, which are necessary for unequivocal identification, quantification, and toxicity assays. Here, I will discuss our work using in vitro and in vivo techniques applied directly to complex PFAS mixtures containing known and unknown PFASs. These techniques enable us to identify, prioritize, and assess bioaccumulation potential of novel PFASs that are overlooked by traditional monitoring methods. I will also discuss recent results from our work using high-resolution mass spectrometry (HRMS), ion mobility spectrometry (IMS), and the open-source software FluoroMatch to characterize these PFAS mixtures and track compositional changes between external exposure and internal dose. These approaches were used to characterize serum, urine, kidney, and liver tissue from mice dosed via gavage with an electrochemically-fluorinated aqueous film-forming foam (AFFF). N-glucuronidated C4-C6 perfluoroalkyl sulfonamides (N-glu-FASAs) were identified in urine excreted throughout the dosing study, highlighting glucuronidation as a significant chain-length-dependent excretion pathway for FASAs and substituted FASAs after dealkylation. Chromatographic patterns and drift time spectra suggest that doubly glucuronidated FASAs were also formed and excreted in urine. Longer-chain (>C8) FASAs primarily accumulated in liver and kidney tissues and were not detected in post-depuration serum. Some examples of applications of these techniques to prioritize detection of novel PFASs in challenging trace-level samples and complex environmental mixtures will also be discussed.

June Meeting: BP4NTA Updates

The June BP4NTA webinar will serve as an update meeting to share progress on BP4NTA efforts. There will be updates from the following Sub-committees:

  • Study Planning Team
  • Educational Committee
  • GC-NTA Committee

Additionally, a proposal will be made to establish an Education & Learning subcommittee.

Please join us on June 17th at 12 pm EDT for more information.

Release of AMOS: the Analytical Methods and Open Spectral database and web-based application

BP4NTA member Antony Williams, alongside Gregory Janesch, Tyler Carr, and Saku Sivasupramaniam, are proud to announce that the Analytical Methods and Open Spectral Database application is now online and publicly available at https://hcd.rtpnc.epa.gov/amos/, and the manual is here: https://www.epa.gov/comptox-tools/amos-analytical-methods-and-open-spectral-database-help.

AMOS, the Analytical Methods and Open Spectra Database and Web Application, delivers access to >6500 analytical methods, >35,000 chemical fact sheets, and >900,000 spectra indexed to their associated chemical substances. The application uses cheminformatics approaches to allow for “methods read-across”, searching for similar structures to those of interest to identify useful methods as starting points.

For those interested in learning more, the AGRO branch of ACS is hosting a special training workshop with Dr. Antony Williams of the US EPA Center of Computational Toxicology and Exposure on June 12th at 1:00 p.m. EST. He will provide an overview of the AMOS application and a short introduction to the Cheminformatics Modules providing access to associated Hazard and Safety data.

You can find more information here: https://www.agrodiv.org/news/special-event-training-workshop-for-new-amos-database/

Example of an AMOS search using 6PPD-Quinone

BP4NTA Meet-up at the ASMS Conference

Are you interested in non-target analysis and attending ASMS 2025 in Baltimore? Make sure not to miss the BP4NTA Social Gathering!

Sonja Klee, BP4NTA Secretary, is organizing a BP4NTA meet-up at the upcoming ASMS conference. If you are interested in attending, please reach out to her on LinkedIn and fill out the scheduling poll here: https://doodle.com/group-poll/participate/erV6EP2e

If possible, please complete the poll by the end of the day on May 22. We are looking forward to meeting you in Baltimore!

May Meeting: Carsten Baessmann

Carsten Baessmann, the Director of Applications Development at Bruker Applied Mass Spectrometry, will be giving a talk on “Monitoring emerging contaminants like PFAS beyond regulatory requirements using trapped-ion-mobility QTOF MS in combination with newly developed non-targeted workflows.

This meeting will occur on Tuesday, May 20th, from 12 pm – 1 pm EST.

Abstract: Environmental pollution remains a critical global challenge as the ecosystems are continuously exposed to a diverse and dynamically changing mixture of anthropogenic chemicals, including emerging contaminants (ECs), PFAS and Dioxins. Their vast number, including metabolites and transformation products, combined with the lack of mass spectral libraries and analytical standards, hinders their identification. Moreover, ECs and PFAS are often present at low concentrations in the environmental compartments and the occurrence of matrix interferences complicates their identification. Therefore, it is essential to employ comprehensive analytical techniques and workflows capable of identifying the “chemical fingerprint”. High Resolution Mass Spectrometry (HRMS)-based workflows are powerful tools for the simultaneous detection of emerging pollutants, covering a wide range of substances with diverse applications and physicochemical properties, including their metabolites and transformation products. Additionally, Ion Mobility Spectrometry provides an additional dimension of separation, enhancing the identification of chemicals in complex matrices. The objective of our studies was to evaluate the capabilities of Trapped Ion Mobility Spectrometry (TIMS) in the established targeted and untargeted LC-HRMS workflows in combination with smart software tools for the in-depth monitoring of emerging contaminants, Dioxins and PFAS in complex environmental and food matrices.


Our next webinar will be on June 17th (corrected date) and will feature updates from BP4NTA working groups. Webinars will continue to be held on the third Tuesday of each month at 12 pm US Eastern time for the remainder of 2025 (July 15, August 19, September 16, October 15, November 19, and December 16). We are still recruiting speakers, so please reach out if you may be interested in presenting. Be aware that if you received a previous event invitation in Outlook (would be from James McCord) that the May meeting is the last one scheduled in that series. You may wish to add the others to your calendar separately, as our new email system does not allow bulk sending of outlook attachments.

Coming up June 1-5 is the American Society for Mass Spectrometry meeting in Baltimore, Maryland, and we anticipate that many BP4NTA members will be in attendance. If you are interested in meting up with other BP4NTA folks, please reach out to Sonja Klee, BP4NTA secretary.

New Publication – Community Needs and Proposed Solutions for a Broadly Applicable Standard/QC Mixture for High-Resolution Mass Spectrometry-Based Non-Targeted Analysis

Check out this recent publication describing the results of a community survey to determine desired characteristics/uses for a non-targeted standard mixture! Many BP4NTA members (among others) contributed to this survey. The authors thank all respondents for providing valuable feedback!

Abstract: Non-targeted analysis (NTA) using high-resolution mass spectrometry (HRMS) is a global chemical screening approach that generates information-rich data which can be used to detect and identify unknown chemicals. NTA is a powerful approach which is increasingly being used for a variety of sample types, research fields, and goals. However, there are challenges associated with accurate assessments of data quality and method performance, comparability across laboratories/instruments/methods, and communication of results/confidence. A standard mixture containing a sufficient number and diversity of chemicals would help address these needs, but is not yet commercially available. Thus, we conducted a survey of 146 NTA researchers to examine desired requirements for the broad fields, studies, and goals where NTA can be applied. We also compare this feedback to previously published in-house standard mixtures, which, we argue, are models for a standard that can be adjusted to fit the NTA community’s needs and possibly commercialized. Reversed-phase liquid chromatography HRMS is one of the most common methods used for NTA; therefore, this survey is focused on characteristics necessary for these types of methods. We intend this information to communicate the need for an interdisciplinary NTA standard mixture, the importance of implementing standards, and to lower the barriers for chemical vendor standard mixture development and distribution.

Read more here: https://pubs.acs.org/doi/abs/10.1021/acs.analchem.4c05710