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Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis

[Image: see text] Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data p...

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Autores principales: Zhang, Penghan, Carlin, Silvia, Franceschi, Pietro, Mattivi, Fulvio, Vrhovsek, Urska
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811747/
https://www.ncbi.nlm.nih.gov/pubmed/35050571
http://dx.doi.org/10.1021/acs.analchem.1c02719
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author Zhang, Penghan
Carlin, Silvia
Franceschi, Pietro
Mattivi, Fulvio
Vrhovsek, Urska
author_facet Zhang, Penghan
Carlin, Silvia
Franceschi, Pietro
Mattivi, Fulvio
Vrhovsek, Urska
author_sort Zhang, Penghan
collection PubMed
description [Image: see text] Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the “standard” untargeted analysis. By using the retention time and mass spectrometry (MS) data stored in a library, the annotation and quantification of the targeted saturated peaks have been significantly improved. After subtracting the nonperfected signals caused by saturation, peaks of coelutes can be annotated more accurately. Our research shows that the target-guided method has broad application prospects in the data analysis of GC×GC chromatograms of complex samples.
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spelling pubmed-88117472022-02-03 Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis Zhang, Penghan Carlin, Silvia Franceschi, Pietro Mattivi, Fulvio Vrhovsek, Urska Anal Chem [Image: see text] Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the “standard” untargeted analysis. By using the retention time and mass spectrometry (MS) data stored in a library, the annotation and quantification of the targeted saturated peaks have been significantly improved. After subtracting the nonperfected signals caused by saturation, peaks of coelutes can be annotated more accurately. Our research shows that the target-guided method has broad application prospects in the data analysis of GC×GC chromatograms of complex samples. American Chemical Society 2022-01-20 2022-02-01 /pmc/articles/PMC8811747/ /pubmed/35050571 http://dx.doi.org/10.1021/acs.analchem.1c02719 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Zhang, Penghan
Carlin, Silvia
Franceschi, Pietro
Mattivi, Fulvio
Vrhovsek, Urska
Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title_full Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title_fullStr Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title_full_unstemmed Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title_short Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis
title_sort application of a target-guided data processing approach in saturated peak correction of gc×gc analysis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811747/
https://www.ncbi.nlm.nih.gov/pubmed/35050571
http://dx.doi.org/10.1021/acs.analchem.1c02719
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