Literature DB >> 34842413

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

Benjamin J Place1, Elin M Ulrich2, Jonathan K Challis3, Alex Chao2, Bowen Du4, Kristin Favela5, Yong-Lai Feng6, Christine M Fisher7, Piero Gardinali8, Alan Hood9, Ann M Knolhoff7, Andrew D McEachran10, Sara L Nason11, Seth R Newton2, Brian Ng8, Jamie Nuñez12, Katherine T Peter13, Allison L Phillips14, Natalia Quinete8, Ryan Renslow12, Jon R Sobus2, Eric M Sussman9, Benedikt Warth15, Samanthi Wickramasekara9, Antony J Williams2.   

Abstract

Non-targeted analysis (NTA) encompasses a rapidly evolving set of mass spectrometry techniques aimed at characterizing the chemical composition of complex samples, identifying unknown compounds, and/or classifying samples, without prior knowledge regarding the chemical content of the samples. Recent advances in NTA are the result of improved and more accessible instrumentation for data generation and analysis tools for data evaluation and interpretation. As researchers continue to develop NTA approaches in various scientific fields, there is a growing need to identify, disseminate, and adopt community-wide method reporting guidelines. In 2018, NTA researchers formed the Benchmarking and Publications for Non-Targeted Analysis Working Group (BP4NTA) to address this need. Consisting of participants from around the world and representing fields ranging from environmental science and food chemistry to 'omics and toxicology, BP4NTA provides resources addressing a variety of challenges associated with NTA. Thus far, BP4NTA group members have aimed to establish a consensus on NTA-related terms and concepts and to create consistency in reporting practices by providing resources on a public Web site, including consensus definitions, reference content, and lists of available tools. Moving forward, BP4NTA will provide a setting for NTA researchers to continue discussing emerging challenges and contribute to additional harmonization efforts.

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Year:  2021        PMID: 34842413      PMCID: PMC8848292          DOI: 10.1021/acs.analchem.1c02660

Source DB:  PubMed          Journal:  Anal Chem        ISSN: 0003-2700            Impact factor:   6.986


  40 in total

1.  Novel Polyfluorinated Compounds Identified Using High Resolution Mass Spectrometry Downstream of Manufacturing Facilities near Decatur, Alabama.

Authors:  Seth Newton; Rebecca McMahen; James A Stoeckel; Michael Chislock; Andrew Lindstrom; Mark Strynar
Journal:  Environ Sci Technol       Date:  2017-01-13       Impact factor: 9.028

2.  Suspect and Nontarget Screening of Per- and Polyfluoroalkyl Substances in Wastewater from a Fluorochemical Manufacturing Park.

Authors:  Yi Wang; Nanyang Yu; Xiaobin Zhu; Huiwei Guo; Jianguo Jiang; Xuebing Wang; Wei Shi; Jichun Wu; Hongxia Yu; Si Wei
Journal:  Environ Sci Technol       Date:  2018-09-24       Impact factor: 9.028

3.  A framework to estimate concentrations of potentially unknown substances by semi-quantification in liquid chromatography electrospray ionization mass spectrometry.

Authors:  Eelco N Pieke; Kit Granby; Xenia Trier; Jørn Smedsgaard
Journal:  Anal Chim Acta       Date:  2017-04-10       Impact factor: 6.558

4.  Development of suspect and non-target screening methods for detection of organic contaminants in highway runoff and fish tissue with high-resolution time-of-flight mass spectrometry.

Authors:  Bowen Du; Jonathan M Lofton; Katherine T Peter; Alexander D Gipe; C Andrew James; Jenifer K McIntyre; Nathaniel L Scholz; Joel E Baker; Edward P Kolodziej
Journal:  Environ Sci Process Impacts       Date:  2017-09-20       Impact factor: 4.238

5.  Assessing accuracy, precision and selectivity using quality controls for non-targeted analysis.

Authors:  Brian Ng; Natalia Quinete; Piero R Gardinali
Journal:  Sci Total Environ       Date:  2020-01-10       Impact factor: 7.963

6.  A Proposed Quality Control Standard Mixture and Its Uses for Evaluating Nontargeted and Suspect Screening LC/HR-MS Method Performance.

Authors:  Ann M Knolhoff; Jacob H Premo; Christine M Fisher
Journal:  Anal Chem       Date:  2020-12-04       Impact factor: 6.986

7.  Gas-phase chiral separations by ion mobility spectrometry.

Authors:  Prabha Dwivedi; Ching Wu; Laura M Matz; Brian H Clowers; William F Siems; Herbert H Hill
Journal:  Anal Chem       Date:  2006-12-15       Impact factor: 6.986

8.  High-throughput dietary exposure predictions for chemical migrants from food contact substances for use in chemical prioritization.

Authors:  Derya Biryol; Chantel I Nicolas; John Wambaugh; Katherine Phillips; Kristin Isaacs
Journal:  Environ Int       Date:  2017-08-31       Impact factor: 9.621

9.  Examining NTA performance and potential using fortified and reference house dust as part of EPA's Non-Targeted Analysis Collaborative Trial (ENTACT).

Authors:  Seth R Newton; Jon R Sobus; Elin M Ulrich; Randolph R Singh; Alex Chao; James McCord; Sarah Laughlin-Toth; Mark Strynar
Journal:  Anal Bioanal Chem       Date:  2020-04-25       Impact factor: 4.142

10.  Critical Assessment of Small Molecule Identification 2016: automated methods.

Authors:  Emma L Schymanski; Christoph Ruttkies; Martin Krauss; Céline Brouard; Tobias Kind; Kai Dührkop; Felicity Allen; Arpana Vaniya; Dries Verdegem; Sebastian Böcker; Juho Rousu; Huibin Shen; Hiroshi Tsugawa; Tanvir Sajed; Oliver Fiehn; Bart Ghesquière; Steffen Neumann
Journal:  J Cheminform       Date:  2017-03-27       Impact factor: 5.514

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  3 in total

1.  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

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

Authors:  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
Journal:  Anal Chem       Date:  2021-10-07       Impact factor: 8.008

3.  Approaches for assessing performance of high-resolution mass spectrometry-based non-targeted analysis methods.

Authors:  Christine M Fisher; Katherine T Peter; Seth R Newton; Andrew J Schaub; Jon R Sobus
Journal:  Anal Bioanal Chem       Date:  2022-07-07       Impact factor: 4.478

  3 in total

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