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Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology

Journal of Exposure Science & Environmental Epidemiology volume 33, pages 501–504 (2023)Cite this article

A Correction to this article was published on 10 May 2023

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Fig. 1: The NTA Study Reporting Tool (SRT) can be used in a variety of applications throughout the scientific lifecycle.

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References

  1. Wild CP. Complementing the genome with an “exposome”: the outstanding challenge of environmental exposure measurement in molecular epidemiology. Cancer Epidemiol Biomark Prev. 2005;14:1847–50.

    Article  CAS  Google Scholar 

  2. Washington JW, Rosal CG, McCord JP, Strynar MJ, Lindstrom AB, Bergman EL, et al. Nontargeted mass-spectral detection of chloroperfluoropolyether carboxylates in New Jersey soils. Science 2020;368:1103–7.

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  3. Walker DI, Lane KJ, Liu K, Uppal K, Patton AP, Durant JL, et al. Metabolomic assessment of exposure to near-highway ultrafine particles. J Expo Sci Environ Epidemiol. 2019;29:469–83.

    Article  CAS  PubMed  Google Scholar 

  4. Gerona RR, Schwartz JM, Pan J, Friesen MM, Lin T, Woodruff TJ. Suspect screening of maternal serum to identify new environmental chemical biomonitoring targets using liquid chromatography–quadrupole time-of-flight mass spectrometry. J Expo Sci Environ Epidemiol. 2018;28:101–8.

    Article  CAS  PubMed  Google Scholar 

  5. Tran CD, Dodder NG, Quintana PJE, Watanabe K, Kim JH, Hovell MF, et al. Organic contaminants in human breast milk identified by non-targeted analysis. Chemosphere 2020;238:124677.

    Article  CAS  PubMed  Google Scholar 

  6. Aalizadeh R, Alygizakis NA, Schymanski EL, Krauss M, Schulze T, Ibanez M, et al. Development and application of liquid chromatographic retention time indices in HRMS-based suspect and nontarget screening. Anal Chem. 2021;93:11601–11.

    Article  CAS  PubMed  Google Scholar 

  7. Cavanna D, Righetti L, Elliott C, Suman M. The scientific challenges in moving from targeted to non-targeted mass spectrometric methods for food fraud analysis: A proposed validation workflow to bring about a harmonized approach. Trends Food Sci Technol. 2018;80:223–41.

    Article  CAS  Google Scholar 

  8. Hollender J, Van Bavel B, Dulio V, Farmen E, Furtmann K, Koschorreck J, et al. High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management. Environ Sci Eur. 2019;31:1–1.

    Article  CAS  Google Scholar 

  9. Schymanski EL, Jeon J, Gulde R, Fenner K, Ruff M, Singer HP, et al. Identifying small molecules via high resolution mass spectrometry: communicating confidence. Environ Sci Technol. 2014;48:2097–8.

    Article  CAS  PubMed  Google Scholar 

  10. Schymanski EL, Bolton EE. FAIRifying the exposome journal: Templates for chemical structures and transformations. Exposome 2022;2:osab006.

    Article  Google Scholar 

  11. Schulze B, Jeon Y, Kaserzon S, Heffernan AL, Dewapriya P, O’Brien J, et al. An assessment of quality assurance/quality control efforts in high resolution mass spectrometry non-target workflows for analysis of environmental samples. Trends Anal Chem 2020;133:116063.

    Article  CAS  Google Scholar 

  12. Peter KT, Phillips AL, Knolhoff AM, Gardinali PR, Manzano CA, Miller KE, et al. Nontargeted analysis study reporting tool: a framework to improve research transparency and reproducibility. Anal Chem. 2021;93:13870–9.

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  13. BP4NTA. NTA Study Reporting Tool (PDF). 2022. figshare. Online resource. https://doi.org/10.6084/m9.figshare.19763482.

  14. BP4NTA. NTA Study Reporting Tool (Excel). 2022. figshare. Online resource. https://doi.org/10.6084/m9.figshare.19763503.

  15. Benchmarking and Publications for Non-Targeted Analysis. 2022. https://nontargetedanalysis.org/.

  16. BP4NTA. SRT Instructional Video. 2022. figshare. Media. https://doi.org/10.6084/m9.figshare.19790047.

  17. BP4NTA, Phillips AL, Sobus JR, Williams AJ, Miller, KE, Peter, KT SRT Informational Video. 2022. figshare. Media. https://doi.org/10.6084/m9.figshare.19790002.

  18. Eysseric E, Gagnon C, Segura PA. Identifying congeners and transformation products of organic contaminants within complex mixtures in impacted surface waters with a top-down non-targeted screening. Sci Total Environ. 2022;822:153540.

    Article  CAS  PubMed  Google Scholar 

  19. Yao J, Sheng N, Guo Y, Yeung LWY, Dai J, Pan Y. Nontargeted identification and temporal trends of per- and polyfluoroalkyl substances in a fluorochemical industrial zone and adjacent Taihu lake. Environ Sci Technol. 2022;56:7986–96.

    Article  CAS  PubMed  Google Scholar 

  20. Fisher CM, Peter KT, Newton SR, Schaub AJ, Sobus JR. Approaches for assessing performance of high-resolution mass spectrometry-based non-targeted analysis methods. Anal Bioanal Chem. 2022;414:6455–71.

    Article  CAS  PubMed  PubMed Central  Google Scholar 

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Acknowledgements

The authors thank BP4NTA members (www.nontargetedanalysis.org/membership-list), particularly those involved in BP4NTA leadership and the 2021-2022 SRT Committee (Ruth Marfil-Vega, Jonathan Challis, Kristin Favela, Yong-Lai Feng, Thomas Letzel, Kelsey Miller, Tarun Anumol, Sara Nason, Seth Newton, Benjamin Place, and Natalia Soares Quinete). We also acknowledge 2020-2021 SRT Committee members involved in the original evaluation of the SRT (Piero Gardinali, Manuel Pristner, Lyne Sabourin, Mark Sumarah, and Benedikt Warth). We thank authors, editors, and reviewers who have adopted the SRT. We particularly thank JESEE’s editor-in-chief, Elaine Hubal, for her support of SRT adoption. Reviews by Jacqueline Bangma and Charles Lowe greatly improved this article.

Author information

Authors and Affiliations

  1. Center for Public Health and Environmental Assessment, U.S. Environmental Protection Agency, Corvallis, OR, 97333, USA

    Allison L. Phillips

  2. Center for Urban Waters, Tacoma, WA, 98421, USA

    Katherine T. Peter

  3. Interdisciplinary Arts and Sciences, University of Washington Tacoma, Tacoma, WA, 98402, USA

    Katherine T. Peter

  4. Center for Computational Toxicology and Exposure, U.S. Environmental Protection Agency, Research Triangle Park, NC, 27711, USA

    Jon R. Sobus, Antony J. Williams & Elin M. Ulrich

  5. Center for Food Safety and Applied Nutrition, U.S. Food and Drug Administration, College Park, MD, 20740, USA

    Christine M. Fisher & Ann M. Knolhoff

  6. School of Public Health, San Diego State University, San Diego, CA, 92182, USA

    Carlos A. Manzano

  7. Faculty of Science, University of Chile, 7750000, Nunoa, RM, Chile

    Carlos A. Manzano

  8. Agilent Technologies, Inc, Santa Clara, CA, 95051, USA

    Andrew D. McEachran

Authors
  1. Allison L. Phillips
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  2. Katherine T. Peter
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  3. Jon R. Sobus
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  4. Christine M. Fisher
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  5. Carlos A. Manzano
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  6. Andrew D. McEachran
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  7. Antony J. Williams
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  8. Ann M. Knolhoff
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  9. Elin M. Ulrich
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Contributions

ALP, KTP, JRS & EMU – Manuscript conceptualization, writing, review, and editing; CMF, CAM, ADM– Manuscript writing and review; AJW – Manuscript conceptualization and review; AMK – Manuscript review and editing.

Corresponding author

Correspondence to Elin M. Ulrich.

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The authors declare no competing interests.

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The U.S. Environmental Protection Agency has provided administrative review and has approved this article for publication. The views expressed in this article are those of the authors and do not necessarily reflect the views of the U.S. Environmental Protection Agency.

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The original online version of this article was revised: The graphical abstract was added and Figure 1 was corrected.

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Phillips, A.L., Peter, K.T., Sobus, J.R. et al. Standardizing non-targeted analysis reporting to advance exposure science and environmental epidemiology. J Expo Sci Environ Epidemiol 33, 501–504 (2023). https://doi.org/10.1038/s41370-022-00490-1

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