Anna Feerick

July Meeting: Dr. Marzieh Shojaei

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Dr. Marzieh Shojaei earned her Ph.D. from Texas Tech University, where her research focused on the characterization and treatment of per- and polyfluoroalkyl substances (PFAS) in aqueous film-forming foam (AFFF)-impacted media. In 2022, she joined Dr. Lee Ferguson’s research group at Duke University as a postdoctoral research associate. She currently serves as a Research Scientist in Dr. Ferguson’s lab, where her research centers on the characterization of fluorochemicals in lithium-ion batteries, textiles, AFFF formulations, and AFFF-impacted groundwater.

This meeting will occur on Wednesday, July 15th, from 12 pm – 1 pm EST. Please reach out if you did not receive the link through the newsletter and would like to attend.

Talk Title: “Deep characterization of per- and polyfluoroalkyl substances in current and legacy aqueous film-forming foams“

Abstract: Per and polyfluoroalkyl substances (PFAS) have been used in aqueous film-forming foam (AFFF) since the 1960s. Application of AFFFs in fire training and emergency response sites is one of the primary sources of PFAS contamination to soil and groundwater. Studies have identified hundreds of PFAS in AFFF using high resolution mass spectrometry (HRMS), but a significant fraction of organofluorine in these formulations remains uncharacterized. Characterization of AFFF formulations is crucial for understanding fate, transport, and mass-balance of PFAS in AFFF-impacted environments. Herein, targeted analysis, total oxidizable precursor assay (TOP), and non-targeted analysis were used to characterize PFAS in 170 AFFFs collected from active fire stations in North Carolina, United States. Samples were diluted 1000-10,000,000-fold in 50:50 methanol:water and analyzed for targeted and non-targeted analysis using High-Performance Liquid Chromatography (HPLC)- Orbitrap Astral mass spectrometry in ESI negative and positive polarity, with a combined data-dependent and parallel-reaction-monitoring MS/MS workflow. TOP assay was used to provide an estimate of total PFAS precursors in each AFFF. Prioritization of PFAS for structure annotation was achieved through application of newly-developed and existing informatic approaches including in silico MS/MS libraries, mass defect and fluorine:carbon ratio analysis, and diagnostic fragment and neutral loss analysis. Application of target analysis and TOP assay resulted in quantification of up to 22,200 mg/L PFAS in AFFFs. Further characterization of AFFFs using total organic fluorine showed that TOP analyses was a robust approach for closing organofluorine mass balance in AFFFs. Non-target analysis identified more than 50 suspect PFAS classes and 15 newly annotated PFAS classes in AFFF. Bis-perfluoroalkanesulfonimides (bis-FASIs) were identified in all electrochemically synthesized AFFFs, and chromatographically separated bis-FASI isomers revealed positional substitution within C6-C14 of this novel compound class. Our results will facilitate more confident annotation of PFAS in future studies and contribute to an overall understanding of PFAS releases when products such as AFFF are used.

June Meeting: Dr. Ben Place on the SPT

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Dr. Ben Place, a Research Chemist within the Organic Chemical Metrology Group at the National Institute of Standards and Technology (NIST), will be giving a talk on an ongoing BP4NTA initiative, the Study Planning tool. Ben is one of the founding chairs of BP4NTA and the current leader of the BP4NTA Study Planning Tool working group.

This meeting will occur on Wednesday, June 17th, from 12 pm – 1 pm EST. Please reach out if you did not receive the link through the newsletter and would like to attend.

Dr. Allison (Alli) Phillips: Recipient of the 2026 Katherine T. Peter BP4NTA OutstandingService Award

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The 2026 Katherine T. Peter BP4NTA Outstanding Service Award was bestowed on Dr. Allison Phillips in March. Dr. Phillips received a trophy, a fleece jacket, and waived annual membership fees for one year. The award recognizes an individual for their outstanding contributions and service to BP4NTA in support of the BP4NTA mission. An awards committee of three individuals considered the impact of all nominees’ service on the quality of BP4NTA operations and/or projects (75%), and the quantity of service contributions to BP4NTA, including the time spent on service to BP4NTA (25%). Nominations for Dr. Phillips highlighted her efforts co-leading development of the Study Reporting Tool (SRT) and two SRT-related manuscripts through BP4NTA. The SRT was one of the initial BP4NTA products and has proven to also be one of the most impactful. In addition, she organized a meeting with rapid responders as part of the stakeholder outreach effort that was recently published in Analytical Chemistry. Despite recently moving to a new position, where she is no longer working directly in the NTA field, Dr. Phillips has continued to play an active role in BP4NTA establishing open communication and potential for collaborations with Metabolomics QA/QC Consortium (mQACC) and the International Lipidomics Society (ILS) regarding the SRT and Study Planning Tool. Thank you, Dr. Phillips, for your outstanding service to BP4NTA!
 

May Meeting: Dr. Allen Hubbard and Joshua Ocheje

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Our speakers are Dr. Allen Hubbard, a research scientist in Ivan Baxter’s lab at the Donald Danford Plant Science Center and the CTO of Metablify, and Joshua Ocheje, a graduate student and BP4NTA student member studying under Dr. Natalia Quinete.

Dr. Allen Hubbard will be presenting on The Last Alignment Frontier: Optimal and Non-Monotonic Alignment Across Methods For Signal Amplification.

Abstract: Metablify is an alignment and amplification engine for LC-MS (and other separation + mass spectrometry combinations) data. Metablify provides a solution for LC-MS driven omics analogous to the role that PCR plays in nucleic acid omics. Whereas in genomics, DNA is amplified physically by PCR cycles, with each new sample added to a dataset, the signal for any present chemical is amplified statistically by Metablify’s algorithms.  This is particularly valuable for fields such as exposomics where trace levels of a chemical must be detected reliably across samples.  The traditional framing of peak picking in individual files, followed by correspondence across them, faces several bottlenecks as dataset size increases, which are exacerbated for low concentration chemicals – i.e. limited signal to noise ratios per sample, pathological shifts, etc.  Metablify implements an optimal coordinate transformation between any single sample and the central tendency of a potentially multi-separation method dataset, using dynamic and data derived features.  Applying the law of large numbers and novel metrics to harness physical features of the data, Metablify translates the peak correspondence challenge into the language of optimal transport.  Doing so, Metablify is unrestrained by the limitations of traditional alignment approaches such as dynamic time warping (which assumes monotonic drift). Metablify enables alignment of signals up until the point of peak reversal, a situation that would previously be hopelessly unresolvable.  Metablify can drive untargeted metabolomics or proteomics, and could be extremely valuable to exposomics and related fields.

Joshua Ocheje will be presenting on Leachability and Chemical Profiles of Per- and Polyfluoroalkyl Substances in Electronic Waste Components: Targeted and Non-Targeted Analysis.

Abstract: Electronic waste (e-waste) is a growing solid waste stream with largely undisclosed and poorly characterized fluorinated constituents. We evaluated per- and polyfluoroalkyl substances (PFAS) leachability from four e-waste components (phone screens, phone plastics, capacitors, and Lithium-ion batteries) using a 30-day deionized water leaching test. PFAS were extracted by solid-phase extraction using weak anion exchange (WAX) cartridges and analyzed with a liquid chromatography triple-quadrupole mass spectrometer. In addition, the PFAS chemical profiles of e-waste components were characterized by non-targeted analysis. Leachable sums of detected PFAS (∑PFAS) were highest in phone screens (1739–1932 ng·kg−1) and phone plastics (1575–2197 ng·kg−1) and an order of magnitude lower in Lithium-ion batteries (148–158 ng·kg−1) and capacitors (147–243 ng·kg−1). Short-chain perfluoroalkyl acids (PFAAs) (e.g., PFBA, PFHxA) and legacy acids
(e.g., PFOA, PFNA) were more prevalent in phone screens/plastics, whereas capacitors and batteries showed mixed sulfonate/carboxylate patterns (PFOS, PFHxS, and 6:2 FTS). Although capacitors and Lithium-ion batteries contained essential PFAS with high hazard potential at trace levels, phone screens and phone plastics pose a greater risk per mass due to higher ∑PFAS levels and larger volumes. Non-targeted analysis using Orbitrap Astral revealed CF2/CF2O homologous trends with corroborating targeted findings. These findings highlight the need for PFAS-free alternatives, the disclosure of fluorinated additives, and stronger end-of-life management strategies to prevent PFAS releases from e-waste.

April Meeting: Student Presenters

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Our April 15 meeting will be at 12 pm US Eastern time. Our speakers will be four BP4NTA student members:

Noor Hamdan – Non-Target Identification of Organic Contaminants in Biosolid-Amended Soils Across the United States
William Fahy – Nontargeted kinetics for identifying environmental transformation products and pathways
Miranda Baker – Geolipidomics: Non-Targeted Analysis of Rapidly Heated Geologic Samples With Gas-Chromatography-Mass Spectrometry
Nathan Vinegas – Microplastics as Vectors of Organic Contaminants on Southern California Beaches: A TD/Py-GCxGC-TOFMS Study

Many thanks to those who submitted abstracts. 

SETAC North America – BP4NTA Session

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Heads up! Best Practices for Non-Targeted Analysis (BP4NTA) is hosting a session at SETAC North America in Montreal this November. The session is titled “Non-targeted analysis and high-resolution mass spectrometry in environmental chemistry.” Keep an eye out when you’re submitting your abstracts!

As high-resolution mass spectrometry (HRMS) becomes more accessible, its application in environmental chemistry is exponentially increasing. Notably, HRMS has expanded the use of non-targeted analysis (NTA), enabling studies without a pre-defined list of analytes and/or that seek to detect and identify chemicals for which analytical standards may not be available. HRMS– based NTA is especially valuable for the discovery of new contaminants or transformation products, as well as “exposomic” research aiming to characterize a broad range of chemical mixtures across diverse environmental and biological matrices. While these methods are already producing valuable data and insights, challenges remain. For example, there is still need for improvements in study reproducibility and reporting practices, and expanding access to high‑quality spectral libraries, reference databases, and computational tools. This session will highlight recent advances in HRMS and NTA methods, discuss shortcomings that have yet to be addressed, and showcase novel environmental studies/applications utilizing these techniques.

Many thanks to Sara Nason, Carrie McDonough, Natalia Quinete, and Leenia Mukhopadhyay for putting this together!

March Speaker: Dr. Raees Ahmad

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Our March 25 meeting will be at 12 pm US Eastern time.  Zoom link here and full information below. Our speaker will be Dr. Raees Ahmad, who will give a talk entitled: “Effect-directed Analysis of Hazardous Organic Chemicals Released from Ship Hull Hydroblasting Effluents and Their Emission to Marine Environments”.


Raees Ahmad is currently a Postdoctoral Research Scientist at The Connecticut Agricultural Experiment Station (CAES) in New Haven, Connecticut, USA. He holds undergraduate and master’s degree in Analytical Chemistry from the University of Malakand, Pakistan, where he focused on the photodegradation of dyes using molecularly imprinted polymers. He earned his Ph.D. in Analytical Chemistry from Kyungpook National University in Daegu, South Korea, where he developed an advanced effect-directed analysis (EDA) technique that integrates offline/online two-dimensional liquid chromatography–Mass Spectrometry with in-silico QSAR tools to identify both targeted and non-targeted contaminants in environmental matrices. At CAES, his research focuses on the suspect and non-targeted analysis of contaminants of emerging concern (CECs) and their transformation products in wastewater influent and effluent from treatment plants, as well as studying their accumulation and effects in plants.

Abstract: Hydroblasting operation on ship hulls is one of the major sources of chemical discharge into marine ecosystems, releasing biocides, binders, pigments, and additives. These activities contribute an estimated 6% to 17% of the daily biocide input from antifouling paint residues. However, most studies to date have focused primarily on target biocides, leaving other toxic chemical classes inadequately explored. This study applied effect-directed analysis to assess hydroblasting effluents using ultra-performance liquid chromatography coupled with high-resolution mass spectrometry. Toxicity screenings of both unfractionated and fractionated effluent samples revealed significant toxic effects on zebrafish embryos. Non-target analysis identified 68 compounds in the positive electrospray ionization mode and 25 compounds in the negative mode. Among these, specific toxic compounds responsible for the observed effects were identified within the fractions, with seven toxicants confirmed at Level 1 identification using reference standards. Quantitative analysis estimated the release of these toxicants to range from 0.16 to 121.83 g for the studied ship. When extrapolated to global hydroblasting operations, annual emissions of these toxic chemicals were estimated to be over 16 tons. These findings underscore the substantial environmental risks associated with hydroblasting effluents and emphasize the need for targeted mitigation strategies to reduce their ecological impact on marine ecosystems.

February Webinar: Dr. Oliver Fiehn

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Please join us for our monthly meeting on February 18th, 12 pm EST. Dr. Oliver Fiehn will be presenting his talk, titled “MS/MS is not enough: retention time prediction and large-scale analyses in MassWiki.Metabolomics.us“.

Prof. Oliver Fiehn has pioneered developments and applications in metabolomics with over 500 publications to date with a current h-index 133, i10 index 484. He started his career as group leader at the Max-Planck Institute for Molecular Plant Physiology in Potsdam, Germany. Since 2004 he is faculty member in the College of Biological Sciences (MCB department) and Professor at the UC Davis Genome Center, overseeing his research laboratory and the satellite core service laboratory in metabolomics research. In 2012 he became the Director of the UC Davis West Coast Metabolomics Center, supervising 30 staff operating 16 mass spectrometers. To focus on large cohort studies and translational metabolomics, he has added the ThermoFisher Center of Excellence in Clinical Metabolomics at the UC Davis clinical campus in Sacramento, CA since 2021. In public outreach, the West Coast Metabolomics Center holds monthly public webinars, has a YouTube channel, a newsletter, invites international scholars to research visits and organizes two metabolomics professional courses per year.

January Monthly Meeting

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Happy New Year BP4NTA!

We are ready to kick off 2026 with our first meeting on January 21 at 12 pm EST.  It has been designed to be both interactive and engaging and should provide attendees the opportunity to give valuable input to the steering committee.  It will also allow you to provide input on the current direction of the group and its subcommittees. Lastly, you will have some interaction in regard to the speakers and sectors you are most interested in hearing from.  We are currently forming the speaker list for 2026 and are seeking speakers that will provide professional value to our membership.

Please recall that nominations for the Kathy Peter Outstanding Service Award are still being accepted.  Please see the previous post for instructions on how to submit nominations.

Nominations open for the 2026 Kathy T. Peter BOS Award

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Nominations are open for the 2026 Kathy T. Peter Memorial BP4NTA Outstanding Service Award! To nominate a deserving BP4NTA member, please fill out this form by February 17, 2026.

The BP4NTA Outstanding Service Award recognizes an individual for their outstanding contributions and service to BP4NTA in support of the BP4NTA mission. Such contributions may include, for example: enabling the inclusion and integration of diverse voices and perspectives in BP4NTA products and projects through exceptional leadership; dedicated involvement in and visionary contributions to BP4NTA operations, committees, and/or scientific products; enthusiastic recruitment and mentorship of BP4NTA members (particularly early-career scientists and stakeholder/non-researcher members), fostering their participation in BP4NTA committees and projects; or committed advocacy to raise awareness of BP4NTA goals and products within the larger NTA community and promote external collaborations.  Selection is based on the quality of the individual’s contributions to BP4NTA and the impact of their service on the quality of BP4NTA operations and/or projects (75%), and the quantity of service contributions to BP4NTA, including the time spent on service to BP4NTA (25%).

This award is named in memory of Kathy Peter, who was a highly active and influential BP4NTA member. She tragically passed away in late 2024. An article highlighting her career achievements, including her work with BP4NTA was recently published in ES&T. Help us continue her legacy by nominating deserving folks for this year’s award.