EPA Position: Using high-resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) to discover novel PFAS in environmental water samples

Research Area (s): Water

Project Description: The project focuses on research and technology transfer on the use of HRMS and NTA surface and groundwater for the discovery of novel per- and polyfluorinated alkyl substances (PFAS).   One or more of the following research topics could be included: wastewater discharge; groundwater and surface water monitoring studies; fate and transport studies; remediation studies; and contaminants of emerging concern in surface water and groundwater.  The project supports the EPA’s CEMM’s strategic goal of developing applied scientific and engineering solutions, technologies, and cutting-edge innovations to protect and remediate our air, land, and water resources, and critical infrastructure challenged by systemic and acute environmental contamination.

Lab, Region/Center, Office: Center for Environmental Measurement and Modeling (CEMM), Office of Research and Development

Opportunity Location: Research Triangle Park, North Carolina

Opportunity Funding (Duration): National Science Foundation Non-Academic Research Internships for Graduate Students (INTERN) Supplemental Funding Opportunity (6 months maximum)

Fellowship Goal and Learning Objectives
Goal:  The fellow will learn the use of high-resolution mass spectrometry and non-targeted analysis techniques to identify novel PFAS contaminants in water samples. 

Learning Objectives:

  • Characterize PFAS in water samples using in-house developed workflows and OEM and open-source software.
  • Conduct experiments, analyze data, and write peer-reviewed journal articles.
  • Learn the use and operation of different analytical instruments (e.g. LC coupled to ion mobility, QTOFMS) and methodologies

Preferred Skills and Qualifications
Preferred Skills:

  • Strong verbal and writing skills.
  • Ability to work both as a part of a team and independently.
  • Basic knowledge of analytical instrumentation related to analysis of organic contaminants water including, but not limited to: solid phase extraction (SPE), liquid chromatography (LC) and mass spectrometry (MS).

Qualifications:  Graduate student or Ph.D. in one of the relevant fields (e.g., Environmental Engineering, Environmental Chemistry, Environmental Science, Geochemistry, Biogeochemistry, Geo-environmental Engineering, Soil Science).

Point of Contact or Research Lead: Mark Strynar (Strynar.mark@epa.gov)

Click here for the original posting. For more information about EPA Research Fellowship opportunities, visit: https://www.epa.gov/research-fellowships/graduate-research-fellowship-program-grfp-intern

March Meeting: Dr. Steven Watkins

BP4NTA is excited to introduce Dr. Steven (Steve) Watkins as our March speaker! He will give his talk on “Periodic Table of Foods Initiative (https://foodperiodictable.org/) – developing standardized analytical approaches and centralized data processing to characterize food supplies.”

This talk will be held on Tuesday, 3/19/2024, from 12 pm – 1 pm EST.

The Periodic Table of Food Initiative (PTFI) is building a global ecosystem and providing tools, data, and training to catalog the biomolecular composition of the world’s food supply. We seek to enable data-driven solutions to improve human and planetary health. We have developed standardized analytical approaches and centralized data processing pipelines for untargeted metabolomics, lipidomics, glycomics, and targeted assays for minerals, fatty acids, etc., and we are working to implement these platforms in laboratories around the world.

You can find the recording here: BP4NTA Monthly Meeting-20240319_170626-Meeting Recording.mp4

ACS 2024 Session – Progress in Mass Spectrometry: Unambiguous Indentification for Small Molecules

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.

EPA Fellowship on Development and Application of Methods for Gas Chromatograph-High Resolution Mass Spectrometry for Non-Targeted Analysis

Application Deadline: 7/5/2024 3:00:00 PM Eastern Time Zone

Reference Code: EPA-ORD-CCTE-CCED-2024-03

Research Project: Non-targeted analysis (NTA) has been increasingly used in recent years to elucidate structures of novel compounds of emerging concern, however, the majority of studies use liquid chromatography. Gas chromatography (GC) has the potential to be equally useful and compliment chemical space coverage but methodologies for GC data collection and processing need to be further developed, tested, and applied in order to be widely adopted and used in decision making.

The goal of the research project is to develop GC-NTA techniques to identify chemicals of interest in environmental samples.

Under the guidance of a mentor, the research activities will include, but not limited to:

  • Exploring the usefulness of combining data from various ionization techniques (e.g., electron impact, chemical ionization).
  • Exploring and mastering software features (e.g., Compound Discoverer, MSDial, etc.).
  • Writing QA/QC procedures and documents, and writing programming code (R, python, or other) for processing data output.

Applications of GC-NTA will include identification of novel per- and polyfluorinated alkyl substances (PFAS) in samples originating near manufacturing facilities and products of incomplete combustion formed from household items during a fire.

Learning ObjectivesThe research participant will be part of a multidisciplinary team of experts who are identifying chemicals to which humans are exposed. The research participant will be expected to actively participate in internal and external research groups such as the EPA NTA group, a GC-Orbitrap users group, etc. An emphasis will be placed on publishing in peer-reviewed journals with the aim of preparing the research participant for a successful career in science.

Mentor(s): The mentor for this opportunity is Seth Newton (Newton.Seth@epa.gov). If you have questions about the nature of the research please contact the mentor.

Anticipated Appointment Start Date: May 15, 2024. All start dates are flexible and vary depending on numerous factors. Click here for detailed information about start dates.

Appointment Length: The appointment will initially be for one year and may be renewed upon EPA recommendation and subject to availability of funding.

Level of Participation: The appointment is full-time.

Participant Stipend: The participant will receive a monthly stipend commensurate with educational level and experience. Click here for detailed information about full-time stipends.

EPA Security Clearance: Completion of a successful background investigation by the Office of Personnel Management (OPM) is required for an applicant to be on-boarded at EPA.

The successful applicant(s) will be required to comply with Environmental, Safety and Health (ES&H) requirements of the hosting facility, including but not limited to, COVID-19 requirements (e.g. facial covering, physical distancing, testing, vaccination).

EPA Office/Lab and LocationA research opportunity is available at the Environmental Protection Agency (EPA), Office of Research and Development (ORD), Center for Computational Toxicology and Exposure (CCTE), Chemical Characterization & Exposure Division (CCED) located in Research Triangle Park, North Carolina.  If selected for the opportunity, the participant will need to relocate to the appropriate EPA facility.  The relocation costs are not reimbursable.  The opportunity is not 100% remote, but limited telework may be considered at the mentor’s discretion.

ORISE Information: This program, administered by ORAU through its contract with the U.S. Department of Energy (DOE) to manage the Oak Ridge Institute for Science and Education (ORISE), was established through an interagency agreement between DOE and EPA. Participants do not become employees of EPA, DOE or the program administrator, and there are no employment-related benefits. Proof of health insurance is required for participation in this program. Health insurance can be obtained through ORISE.

ORISE offers all ORISE EPA graduate students and Postdocs a free 5 year membership to the National Postdoctoral Association (NPA).

The successful applicant(s) will be required to comply with Environmental, Safety and Health (ES&H) requirements of the hosting facility, including but not limited to, COVID-19 requirements (e.g. facial covering, physical distancing, testing, vaccination).

Questions: Please see the FAQ section of our website. After reading, if you have additional questions about the application process please email EPArpp@orau.org and include the reference code for this opportunity.

See the application page for Qualifications and Application information

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

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

Assistant Professor in Environmental Chemistry of Organic Contaminants with emphasis on Data Science Tools

Stockholm University is one of Europe’s leading higher education institutions. Located in the cultural hub and economic center of Sweden, Stockholm University provides attractive studying and working conditions for more than 34,000 students and 5,000 employees (within the natural sciences, humanities, and social sciences).

Deadline for applications: 2024-06-03

Open position in the Department of Environmental Science

The Department of Environmental Science is one of the largest departments in the Faculty of Science. The department is divided into four units with more than 190 researchers, teachers, doctoral students and technical/administrative staff from over 30 countries. Research and teaching focuses on chemical contaminants, atmospheric science, biogeochemistry, and (eco)toxicology. As an employee at the Department of Environmental Science you will be part of a dynamic environment with a strong international profile.

Research in the Contaminant Chemistry Unit focuses on the occurrence and behavior of pollutants in the environment and in the technosphere. Areas of particular focus include the discovery of new contaminants, understanding the physical, chemical, and biological pathways that contaminants follow, and the development of novel tools and techniques for sampling and analysis. We strive to synthesize our scientific understanding about the sources, transport, transformation, bioaccumulation and pharmacokinetics of environmental contaminants into mathematical models that inspire new scientific hypotheses, and support environmental decision-making.

The 21st century has seen exponential growth in both the volume and diversity of organic chemicals and plastic produced globally. As emissions increase, our ability to identify and
monitor these so-called “novel entities” in the environment using conventional tools becomes increasingly difficult. To address this problem, next-generation analytical and data science tools are urgently needed. For example, state-of-the- art mass spectrometers can now measure thousands of known and unknown chemicals simultaneously, providing unprecedented insight into the extent of chemical contamination of the global environment. At the same time, data science tools such as machine learning (and more generally, artificial intelligence) have opened up new possibilities for predicting, identifying, and quantifying problematic chemicals, and for improving our understanding of their environmental fate, behavior and effects. These emerging data science tools are increasingly in demand in a range of jobs in private industry and government, highlighting the need for their inclusion in our Department’s Educational programme.

Considering the rapid growth within environmental chemistry and data science, we believe it is strategically important to recruit an early career Environmental Chemist with expertise in emerging Data Science tools to support our core missions in research, teaching and outreach. The successful applicant will be encouraged to exploit our state-of-the-art interdepartmental Mass Spectrometry lab (MassSLab), as well as existing networks such as the Centre for Circular and Sustainable Systems (SUCCeSS), and Science for Life Laboratory (SciLifeLab), while building new connections which contribute to enhancing the Department’s reputation as a global leader in Environmental Science research and education.


Qualification requirements
The applicant must have completed a doctoral degree in Sweden or an equivalent degree from another country. In the first instance, an applicant should be considered who has received such a degree no more than five years before the deadline for applications (certain exceptions apply)

Assessment criteria
In the appointment process, special attention will be given to research skills. Teaching skills will also be considered. The assessment of research skills will focus primarily on merits within the subject area of the position.

Application
In order to apply for this position please use the Stockholm University web-based application form. You will find the application form in the appropriate announcement (Ref. No. SU FV-0022-24) at https://www.su.se/english/about-the-university/work-at-su/available-jobs.

More information
Visit our website at: www.aces.su.se.
Further information about the position can be obtained from:
Professor Anna Sobek, Head of Department
Tel: +46 8 674 7230, anna.sobek@aces.su.se
Professor Jonathan Benskin, Unit Head-Contaminant Chemistry
Tel: +46 76 426 5490, jon.benskin@aces.su.se

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

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

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.

2023 BP4TNA Meet Ups!

Thank you to all the lovely BP4NTA members who came to our SETAC North America and ASMS meet-ups!

May 2024 hold more opportunities for in-person meetings and future collaborations.