Now available: New BP4NTA publication about current options for performance assessment of HRMS NTA methods!

BP4NTA members Christine M. Fisher, Katherine T. Peter, Seth R. Newton, Andrew J. Schaub, and Jon R. Sobus recently published an article titled “Approaches for assessing performance of high-resolution mass spectrometry-based non-targeted analysis methods” in the journal Analytical and Bioanalytical Chemistry. Although NTA methods using HRMS yield valuable and rich datasets, it is challenging to assess overall performance of these methods given that the goals and approaches vary greatly between studies. This article begins to tackle this challenge by describing existing options for assessing overall NTA method performance for three types of results that can be used in stakeholder decision making: classified samples, identified chemicals, and quantified chemical concentrations. In each case, important caveats, gaps, and areas for improvement are highlighted. The authors intend this article as a starting point for continued development of harmonized NTA performance assessments and hope the discussion motivates fellow researchers to address identified gaps. The article is available (open-access) for all interested readers at this link!

Citation: Fisher, C.M., Peter, K.T., Newton, S.R., Schaub, A.J., Sobus, J.R. Approaches for assessing performance of high-resolution mass spectrometry–based non-targeted analysis methods. Anal Bioanal Chem (2022). https://doi.org/10.1007/s00216-022-04203-3

BP4NTA Produces an Informational Video about the NTA Study Reporting Tool (SRT)

BP4NTA members Alli Phillips, Jon Sobus, Antony Williams, Kelsey Miller and Kathy Peter teamed up with Research Square to create an informational video about the NTA Study Reporting Tool (SRT). The SRT is a downloadable & fillable framework designed to facilitate standardized reporting and review of NTA methods and results. The 3-minute SRT informational video provides:

  • an overview of why the Study Reporting Tool (SRT) was developed by BP4NTA
  • a description of the SRT itself, its scoring system, and associated reference content
  • a summary of the peer-reviewed evaluation of the SRT and its main findings
  • instructions about how to download and use the SRT
  • an explanation of the SRT’s value to researchers, reviewers, and editors

The SRT itself can be accessed at www.nontargetedanalysis.org/SRT.

JESEE Call for Papers: Exposomics Using Non-Targeted Analysis

Exposomics is the study of all exposures over the course of a lifetime, including chemical and non-chemical, intentional and not. Targeted analytical techniques are a poor match for such “all exposures” as they are limited to a narrow chemical space. Non-targeted analysis (NTA) techniques provide a wider potential chemical space, with a goal to identify all chemicals in a sample. NTA science continues to evolve through harmonization of methods and approaches, standard setting, performance benchmarking, and development of analytical and computational tools and databases. Such efforts increase the confidence in and usability of NTA data for regulatory and epidemiology applications. Application of mass spectrometry coupled with separation techniques to solve environmental, health, consumer product, food, and forensic problems via NTA is rapidly increasing.

Journal of Exposure Science and Environmental Epidemiology (JESEE) publishes research that integrates exposure knowledge with information from across scientific disciplines to contribute solutions for the most pressing environmental and public health concerns. 

As such, the Special Topic Editors Drs. Elin Ulrich and Benjamin Place would like to invite submissions for a forthcoming special issue Exposomics Using Non-Targeted Analysis.

Submissions should focus on the understanding and use of non-targeted analysis for exposomic research: studying environmental exposures and/or their effects on development, health, and disease. All authors and reviewers for this special topic are encouraged to use the non-targeted analysis study reporting tool (https://nontargetedanalysis.org/srt/) for the evaluation of the submitted NTA studies.

 
JESEE special focus issues are collections of articles on key topics identified by the editors. Articles are published AOP as they are accepted. Submission does not guarantee acceptance and all manuscripts will be privy to editorial discretion and peer review. For pre-submission inquiries, please contact the journal editorial office at jesee@us.nature.com.

Submissions should also:

  • Adhere to the JESEE Instructions for Authors
  • Be submitted to the journal on or before October 30, 2022
  • Include a note in the cover letter that the submission is for the Exposomics using NTA special issue

As a JESEE author, you can expect the following:

  • Turnaround to first decision of 4-5 weeks
  • Full and swift indexing of content in MEDLINE/PubMed
  • Article deposition to PMC in accordance with your funder mandates
  • Permanent viewing access to article for sharing with colleagues or on social media
  • Daily updated article-level metrics on your content
  • Wide exposure to professionals in a wide range of environmental and public health disciplines.

We look forward to seeing your work!

BP4NTA Updates: Publications and Stakeholder Subcommittee

BP4NTA has really ramped up this year, and we have fallen behind on announcements. See below for several exciting updates to wrap up 2021!

Abstract Image

A new BP4NTA publication is out in Analytical Chemistry! This publication introduces the working group and its purpose and features our web content including the reference content, glossary, and Study Reporting Tool. This manuscript is a great way to get the word out about BP4NTA, and can be cited when our online materials are used a references for publications.

An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group

Benjamin J. Place*, Elin M. Ulrich, Jonathan K. Challis, Alex Chao, Bowen Du, Kristin Favela, Yong-Lai Feng, Christine M. Fisher, Piero Gardinali, Alan Hood, Ann M. Knolhoff, Andrew D. McEachran, Sara L. Nason, Seth R. Newton, Brian Ng, Jamie Nuñez, Katherine T. Peter, Allison L. Phillips, Natalia Quinete, Ryan Renslow, Jon R. Sobus, Eric M. Sussman, Benedikt Warth, Samanthi Wickramasekara, Antony J. Williams

Analytical Chemistry 2021, 93:49, 1628-16296 https://doi.org/10.1021/acs.analchem.1c02660


Several BP4NTA members have a new manuscript out in Environment International on quantitative non-targeted analysis. Be sure to check it out!


BP4NTA has a new subcommittee focused on developing materials for stakeholders who are not NTA practitioners but are interested in using NTA data in their work or understanding how NTA data is useful in their field. We are actively developing videos and fact sheets designed for outreach to various stakeholder groups, and are actively looking for more committee members and community collaborators. Reach out to Yong-lai Feng (yong-lai.feng@canada.ca) if you are interested in helping out!

Abstract Submission For #Nontarget2022 Is Now Open

The program committee is excited to announce that the Nontarget Analysis for Environmental Risk Assessment Focused Topic Meeting or #Nontarget2020 will be held in person from 22–26 May 2022 in Durham, North Carolina. Submit an abstract about research related to nontarget screening approaches, including analytical technology, application in field studies and implementation in risk assessment before the 26 January deadline. 

BP4NTA publishes manuscript introducing the NTA Study Reporting Tool (SRT)

BP4NTA is excited to announce the publication of an article in Analytical Chemistry entitled “The Non-Targeted Analysis Study Reporting Tool (SRT): A Framework to Improve Research Transparency and Reproducibility”!

Why did BP4NTA develop the SRT?

Over the past few years, the BP4NTA working group has developed reference content about NTA study design, results reporting, and quality assurance. During this effort, BP4NTA members recognized a lack of universally accepted reporting standards for NTA studies that use mass spectrometry. This lack of reporting standards hinders transparency and reproducibility, makes consistent reviewing of NTA studies and proposals difficult, and is a barrier for new NTA researchers. The SRT was created to address this gap and provide a multi-disciplinary tool to the NTA community for assessing the quality of NTA study reporting.

What is the SRT?

The SRT is a living framework and evaluation rubric for assessing the quality of reporting in NTA studies. The SRT is organized by overarching NTA study chronology (with a structure of sections, categories, and sub-categories), with assigned scores and accompanying rationales based on the reporting quality in each sub-category. The SRT is available as a stand-alone, downloadable and fillable PDF or spreadsheet.

The ‘Example Information to Report’ column of the SRT provides representative examples relevant to each sub-category. Importantly, the BP4NTA reference content is organized by the same structure as the SRT, complementing the stand-alone tool and serving as a valuable informational resource for both new and experienced NTA researchers and reviewers.

The SRT uses a hybrid scoring system with combined color-coded and numerical scoring metrics. We note that the SRT is not intended to evaluate research quality/scientific merit, instead focusing on assessment of reporting quality. The ‘Rationale’ column of the SRT offers a space for reviewers to explain the assigned score for each sub-category, in keeping with typical peer review.

What is the manuscript about?

The article describes the development and intended uses of the SRT, presents the results of an evaluation that used recently published NTA studies to assess SRT efficacy, and highlights NTA reporting areas that need immediate improvement based on the evaluation results.

During the SRT evaluation, 11 reviewers applied the SRT to evaluate the quality of reporting in 8 published manuscripts. Authors of the evaluated papers also performed self-reviews. Overall, our analysis demonstrated that the SRT provides a valid structure to guide study design and manuscript writing, as well as to evaluate NTA reporting quality. Comparison of peer-reviewer and self-assigned scores indicated that SRT use for self-evaluation will strengthen reporting practices. 

Results also provided insight regarding current reporting practices. We observed high scores in the three Study Design sub-categories and the Chromatography and Mass Spectrometry methods sub-categories, indicating good existing reporting practices. On the other hand, Analytical Sequence, Data Processing & Identification, and the two QA/QC sub-categories consistently received low scores across the 8 evaluated papers, indicating that reporting improvements are needed in the field. Our evaluation particularly highlighted the need to define and implement universal best practices for NTA QA/QC.

Check out the full study at:

https://doi.org/10.1021/acs.analchem.1c02621

How can you use the SRT?

The SRT can be used by researchers as a study design tool and during manuscript/proposal writing, as well as during manuscript/proposal review to inform editors and decision-makers. Although the manuscript presents a static version of the SRT, integration with the BP4NTA website allows continued evolution as the NTA research community’s needs change.

For editors: The spreadsheet version of the SRT (downloadable at the link below) has a plotting functionality that enables quick visual comparison of multiple reviewer scores! We hope this facilitates use of the SRT results during the peer-review process.

To access downloadable PDF and spreadsheet versions of the SRT, head to:

www.nontargetedanalysis.org/SRT

If you use the SRT, please cite:

Katherine T. Peter, Allison L. Phillips, Ann M. Knolhoff, Piero R. Gardinali, Carlos A. Manzano, Kelsey E. Miller, Manuel Pristner, Lyne Sabourin, Mark W. Sumarah, Benedikt Warth, Jon R. Sobus. The Non-Targeted Analysis Study Reporting Tool (SRT): A Framework to Improve Research Transparency and Reproducibility. Analytical Chemistry, 2021. DOI: 10.1021/acs.analchem.1c02621

If you need additional information about a given sub-category or terminology, access the accompanying reference content (www.nontargetedanalysis.org/reference-content) and glossary (www.nontargetedanalysis.org/glossary).

Send BP4NTA your feedback about the SRT!

Questions about the SRT? Ideas to improve the SRT? Interested in implementing the SRT as part of the editorial and peer-review process at your journal? Submit comments via the portal at www.nontargetedanalysis.org/SRT!

Working Group Updates

In May 2021 BP4NTA handed the reins over to new co-chairs. Congratulations to Christine Fisher and Ruth Marfil-Vega, the new co-chairs, and thank you to Elin Ulrich and Benjamin Place, the outgoing chairs and founders of BP4NTA.

Additionally, we have officially appointed several committee chairs who lead important efforts within the working group. Kathy Peter and Allison Phillips are chairing the Study Reporting Tool committee, which is responsible for the creation and maintenance of an NTA Study Reporting Tool. A publication introducing the official BP4NTA SRT is currently in review! Seth Newton and Sara Nason are the website managers, and have been working on the site since its inception in 2020. Natalia Soares Quinete is our publications committee chair and leads outreach efforts to journal editors and reviewers. Tarun Anumol and Elin Ulrich lead the external affiliations committee, and Benjamin Place is our documents manager. Special thanks to all committee chairs for their ongoing efforts to support the working group!

You can find additional information about our leadership team as well as their contact information on our new Leadership page. All team members are volunteers with experience in non-targeted analysis using mass spectrometry. Feel free to reach out to them with any questions related to BP4NTA.

Stay tuned for additional updates! We have two publications in review, and associated web content that will be published once the manuscripts are accepted! This includes an NTA study reporting tool, reference content describing the many aspects of NTA methodology, and a glossary of NTA terms. Additionally we will be stepping up our efforts on the blog and featuring the NTA researchers who will be presenting at upcoming BP4NTA meetings. Contact us to join the BP4NTA working group and stay up to date on all our happenings.

Abstracts are due soon (June 16) for EMCON 2021: International Conference on Emerging Contaminants

Calling all emerging contaminant research! The next EMCON event will be held virtually on September 13-14, 2021, where you can hear the latest research news and discoveries about many emerging environmental contaminants and their management. At EMCON, you can virtually reconnect with old colleagues and meet new friends from around the world while discussing exciting research and ideas. 


EMCON 2021 will cover all aspects of emerging contaminant research while emphasizing research on microplastics, biomolecules, roadway runoff, transformation products, ecotoxicology, advanced mass spectrometry and other new analytical techniques, and new emerging contaminants as conference themes. These topics will be covered over two days of sessions, including scientific talks, posters, lightning talks, and informal meetups, with pre-recorded content allowing both synchronous and asynchronous attendance and interaction.  Abstracts are due June 16th and early bird registration opens July 1! Find more details at: https://cvent.me/7kvWG9. You can email Ed Kolodziej and the EmCon Scientific Committee at emcon2021@uw.edu to submit your abstract, or with any questions.

New Dates for SETAC’s NTA Focused Topic Meeting

The meeting will be held May 22-26, 2022 in Durham, North Carolina.

Find more information on the meeting webpage: https://nta.setac.org/

Scope of the meeting (from the meeting’s webpage):

More than 159 million substances are currently listed in Chemical Abstract Service, the world’s largest chemical database, with a large proportion being synthetic organic compounds. Around 15,000 substances are added each day, and this rapid growth is likely to continue. Traditional approaches for identifying contaminants in the environment are poorly equipped to address the rapid and continual introduction of new chemicals in commerce. Nontarget analysis surmounts previous limitations by providing a dynamic, reproducible and high-throughput approach for generating detailed information on chemicals in the environment, which can enable informed decision-making and management. The goal of this meeting is to move nontarget screening and its application forward in the context of environmental assessment by involving stakeholders from all sectors.

The meeting is specifically designed to allow for:

  • Interaction among researchers from different disciplines, including chemical analysis, (eco-)toxicology, environmental chemistry and chemo-informatics, to develop a science-based framework for identification and prioritization of unknown chemicals that covers both their presence and effects in the environment.
  • Strategizing between researchers who carry out experimental, lab- or field-based research on nontarget screening and transformation products identification with computer scientists and modelers to attune data needs and data generation strategies with a goal to develop evaluation tools
  • International collaborations between scientists from research settings and scientists and stakeholders from industry and regulatory bodies involved in compound registrations and regulations to discuss the practical applicability of the science

The meeting will have a mixed format with keynote lectures, oral and poster presentations, and breakout discussion and demonstration groups. The meeting will intensely cover nontarget screening approaches, from the analytical technology, to application in real-field studies and implementation in risk assessment. The meeting will include three main topics:

  • Frontiers in nontarget screening: Instrumentation, data evaluation and application to monitoring the water environment
  • Identifying transformation products and metabolites formed in biological and technical systems
  • Tools to prioritize identification: Statistics, exposure indices, toxicity, fate modeling

Attendees will be asked to participate in breakout groups to demonstrate open-source tools to identify unknowns, discuss prioritization tools and exchange data on unknowns.

A diverse program committee has been selected for their expertise in their respective areas.

November Update: SETAC SciCon2 and NTA Special Issue

The BP4NTA working group has been hard at work! We plan to have online versions of our checklist and glossary available in early 2021.

Last week, BP4NTA was at SETAC SciCon2 virtual conference! We sponsored two sessions, with posters and presentations available online:

  1. Non-Target Analysis: Optimizing Methods and Data Processing Workflows
  2. Non-Target Analysis: Advances and Applications in Environmental Monitoring

and hosted a live discussion on Non-Targeted Analysis!

Additionally, we had a poster specifically focused on BP4NTA efforts in Session 4.13: Late-Breaking: Chemistry and Exposure assessment (presentation 4.13.13 with lead presenter Sara Nason). Check it out for a sneak peak at our NTA evaluation checklist!

Posters, presentations, and a recording of the live event will be available to conference attendees until March 1, 2021, so be sure to check out anything you missed.

Reminder: there is an upcoming special issue of Environmental Toxicology and Chemistry that will focus on NTA! It will be guest edited by BP4NTA member Natalia Quinete and feature some fantastic research! Submissions will be accepted until March 1, 2021. Download this pdf file for all the details.