Literature DB >> 34618419

Nontargeted Analysis Study Reporting Tool: A Framework to Improve Research Transparency and Reproducibility.

Katherine T Peter1, Allison L Phillips2, Ann M Knolhoff3, Piero R Gardinali4, Carlos A Manzano5,6, Kelsey E Miller2, Manuel Pristner7, Lyne Sabourin8, Mark W Sumarah8, Benedikt Warth7, Jon R Sobus2.   

Abstract

Non-targeted analysis (NTA) workflows using mass spectrometry are gaining popularity in many disciplines, but universally accepted reporting standards are nonexistent. Current guidance addresses limited elements of NTA reporting-most notably, identification confidence-and is insufficient to ensure scientific transparency and reproducibility given the complexity of these methods. This lack of reporting standards hinders researchers' development of thorough study protocols and reviewers' ability to efficiently assess grant and manuscript submissions. To overcome these challenges, we developed the NTA Study Reporting Tool (SRT), an easy-to-use, interdisciplinary framework for comprehensive NTA methods and results reporting. Eleven NTA practitioners reviewed eight published articles covering environmental, food, and health-based exposomic applications with the SRT. 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. Scores self-assigned by authors fell within the range of peer-reviewer scores, indicating that SRT use for self-evaluation will strengthen reporting practices. The results also highlighted NTA reporting areas that need immediate improvement, such as analytical sequence and quality assurance/quality control information. Although scores intentionally do not correspond to data/results quality, widespread implementation of the SRT could improve study design and standardize reporting practices, ultimately leading to broader use and acceptance of NTA data.

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Year:  2021        PMID: 34618419      PMCID: PMC9408805          DOI: 10.1021/acs.analchem.1c02621

Source DB:  PubMed          Journal:  Anal Chem        ISSN: 0003-2700            Impact factor:   8.008


  31 in total

1.  Minimum information about a microarray experiment (MIAME)-toward standards for microarray data.

Authors:  A Brazma; P Hingamp; J Quackenbush; G Sherlock; P Spellman; C Stoeckert; J Aach; W Ansorge; C A Ball; H C Causton; T Gaasterland; P Glenisson; F C Holstege; I F Kim; V Markowitz; J C Matese; H Parkinson; A Robinson; U Sarkans; S Schulze-Kremer; J Stewart; R Taylor; J Vilo; M Vingron
Journal:  Nat Genet       Date:  2001-12       Impact factor: 38.330

2.  Cord blood metabolomic profiling in intrauterine growth restriction.

Authors:  Donata Favretto; Erich Cosmi; Eugenio Ragazzi; Silvia Visentin; Marianna Tucci; Paolo Fais; Giovanni Cecchetto; Vincenzo Zanardo; Guido Viel; Santo Davide Ferrara
Journal:  Anal Bioanal Chem       Date:  2011-11-19       Impact factor: 4.142

3.  Non-targeted Screening in Environmental Monitoring Programs.

Authors:  Bernard S Crimmins; Thomas M Holsen
Journal:  Adv Exp Med Biol       Date:  2019       Impact factor: 2.622

4.  Strategies for data reduction in non-targeted screening analysis: The impact of sample variability for food safety applications.

Authors:  Ann M Knolhoff; Christine M Fisher
Journal:  Food Chem       Date:  2020-11-04       Impact factor: 7.514

5.  Identifying small molecules via high resolution mass spectrometry: communicating confidence.

Authors:  Emma L Schymanski; Junho Jeon; Rebekka Gulde; Kathrin Fenner; Matthias Ruff; Heinz P Singer; Juliane Hollender
Journal:  Environ Sci Technol       Date:  2014-01-29       Impact factor: 9.028

6.  Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing.

Authors:  Benedikt Warth; Scott Spangler; Mingliang Fang; Caroline H Johnson; Erica M Forsberg; Ana Granados; Richard L Martin; Xavier Domingo-Almenara; Tao Huan; Duane Rinehart; J Rafael Montenegro-Burke; Brian Hilmers; Aries Aisporna; Linh T Hoang; Winnie Uritboonthai; H Paul Benton; Susan D Richardson; Antony J Williams; Gary Siuzdak
Journal:  Anal Chem       Date:  2017-10-09       Impact factor: 6.986

7.  Suspect screening and non-targeted analysis of drinking water using point-of-use filters.

Authors:  Seth R Newton; Rebecca L McMahen; Jon R Sobus; Kamel Mansouri; Antony J Williams; Andrew D McEachran; Mark J Strynar
Journal:  Environ Pollut       Date:  2017-11-26       Impact factor: 8.071

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

Authors:  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
Journal:  Anal Chem       Date:  2021-11-29       Impact factor: 6.986

9.  Suspect and Nontarget Screening for Contaminants of Emerging Concern in an Urban Estuary.

Authors:  Zhenyu Tian; Katherine T Peter; Alex D Gipe; Haoqi Zhao; Fan Hou; David A Wark; Tarang Khangaonkar; Edward P Kolodziej; C Andrew James
Journal:  Environ Sci Technol       Date:  2020-01-07       Impact factor: 9.028

Review 10.  Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies.

Authors:  David Broadhurst; Royston Goodacre; Stacey N Reinke; Julia Kuligowski; Ian D Wilson; Matthew R Lewis; Warwick B Dunn
Journal:  Metabolomics       Date:  2018-05-18       Impact factor: 4.290

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  3 in total

Review 1.  Non-targeted metabolomics and associations with per- and polyfluoroalkyl substances (PFAS) exposure in humans: A scoping review.

Authors:  Pengfei Guo; Tristan Furnary; Vasilis Vasiliou; Qi Yan; Kate Nyhan; Dean P Jones; Caroline H Johnson; Zeyan Liew
Journal:  Environ Int       Date:  2022-02-26       Impact factor: 9.621

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

Authors:  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
Journal:  Anal Chem       Date:  2021-11-29       Impact factor: 6.986

3.  Uncertainty estimation strategies for quantitative non-targeted analysis.

Authors:  Louis C Groff; Jarod N Grossman; Anneli Kruve; Jeffrey M Minucci; Charles N Lowe; James P McCord; Dustin F Kapraun; Katherine A Phillips; S Thomas Purucker; Alex Chao; Caroline L Ring; Antony J Williams; Jon R Sobus
Journal:  Anal Bioanal Chem       Date:  2022-06-14       Impact factor: 4.478

  3 in total

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