Literature DB >> 32134258

Strategies for Drawing Quantitative Conclusions from Nontargeted Liquid Chromatography-High-Resolution Mass Spectrometry Analysis.

Anneli Kruve1,2.   

Abstract

This Feature aims at giving an overview of different possibilities for quantitatively comparing the results obtained from LC-HRMS-based nontargeted analysis. More specifically, quantification via structurally similar internal standards, different isotope labeling strategies, radiolabeling, and predicted ionization efficiencies are reviewed.

Entities:  

Year:  2020        PMID： 32134258     DOI： 10.1021/acs.analchem.9b03481

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


  10 in total

1.  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

2.  Quantitative non-targeted analysis: Bridging the gap between contaminant discovery and risk characterization.

Authors:  James P McCord; Louis C Groff; Jon R Sobus
Journal:  Environ Int       Date:  2021-12-02       Impact factor: 9.621

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

4.  First Novel Workflow for Semiquantification of Emerging Contaminants in Environmental Samples Analyzed by Gas Chromatography-Atmospheric Pressure Chemical Ionization-Quadrupole Time of Flight-Mass Spectrometry.

Authors:  Reza Aalizadeh; Varvara Nikolopoulou; Nikiforos A Alygizakis; Nikolaos S Thomaidis
Journal:  Anal Chem       Date:  2022-06-27       Impact factor: 8.008

5.  Applications of Machine Learning to In Silico Quantification of Chemicals without Analytical Standards.

Authors:  Dimitri Panagopoulos Abrahamsson; June-Soo Park; Randolph R Singh; Marina Sirota; Tracey J Woodruff
Journal:  J Chem Inf Model       Date:  2020-05-20       Impact factor: 4.956

6.  Mass Spectral Filtering by Mass-Remainder Analysis (MARA) at High Resolution and Its Application to Metabolite Profiling of Flavonoids.

Authors:  Tibor Nagy; Gergő Róth; Ákos Kuki; Miklós Zsuga; Sándor Kéki
Journal:  Int J Mol Sci       Date:  2021-01-16       Impact factor: 5.923

7.  Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter.

Authors:  Carsten Simon; Kai Dührkop; Daniel Petras; Vanessa-Nina Roth; Sebastian Böcker; Pieter C Dorrestein; Gerd Gleixner
Journal:  Environ Sci Technol       Date:  2022-07-14       Impact factor: 11.357

8.  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

9.  Estimation of the concentrations of hydroxylated polychlorinated biphenyls in human serum using ionization efficiency prediction for electrospray.

Authors:  Sara Khabazbashi; Josefin Engelhardt; Claudia Möckel; Jana Weiss; Anneli Kruve
Journal:  Anal Bioanal Chem       Date:  2022-05-04       Impact factor: 4.478

10.  Metabolism of a Bioorthogonal PET Tracer Candidate [19F/18F]SiFA-Tetrazine in Mouse Liver Microsomes: Biotransformation Pathways and Defluorination Investigated by UHPLC-HRMS.

Authors:  Sofia Otaru; Hanna Niemikoski; Mirkka Sarparanta; Anu J Airaksinen
Journal:  Mol Pharm       Date:  2020-07-01       Impact factor: 4.939
  10 in total

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