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!

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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.

Welcome to the BP4NTA website!

BP4NTA stands for Benchmarking and Publications for Non-Targeted Analysis and we are a working group focused on addressing challenges in non-targeted analysis (NTA) studies.

NTA uses high resolution mass spectrometry to identify chemicals in samples without requiring the use of standards. NTA is an incredibly powerful analytical technique, and is increasingly used in many fields of research including environmental contamination, chemical exposures, and food safety.

However, foundational knowledge gaps persist; there is not yet a standardized vocabulary for discussing non-targeted work, nor a cohesive set of expectations for reporting research methods and quality control measures.

What BP4NTA Does

BP4NTA is in the process of developing a suite of resources that define key terms, provide reporting recommendations, and highlight scientific best practices for NTA studies, and we have created this website as a place to share information and outputs with the broader scientific community. If you look around, you will see the website currently includes lists of NTA resources (online databases, software programs, etc. and event where NTA research will be featured, as well as information about the history and membership of our working group.

While the current website contents are fairly limited, we have big plans!

When complete, the website will be focused around what we are currently referring to as the NTA Checklist. The checklist (currently in draft form) will be formatted as a table, and is organized based on the chronology of an NTA study.

Each section details key information that should be reported by NTA studies to ensure quality control, accuracy, and reproducibility. There will be a printer friendly, downloadable version of the checklist for convenient use by researchers, reviewers, and editors, and also a web version where each checklist section will be linked to detailed information about study components, including relevant literature citations.

We are very excited about the progress currently being made on checklist development, and are looking forward to sharing it! We are also developing a Glossary of NTA-related terminology and are working to expand our lists of resources and events.

Additionally, we will use this blog space to post about new NTA publications, featured BP4NTA members, and updates to the resources on the BP4NTA website. Subscribe to our mailing list (see the bottom of the homepage) to receive email updates about our posts!

We are very excited to see how the website develops and how the NTA community continues to grow and thrive! Feel free to contact us with any thoughts, opinions, resources you would like posted on our page, or if you are interested in joining the BP4NTA working group!

Best,

Sara Nason, Ph.D. and Seth Newton, Ph.D., BP4NTA website co-chairs