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Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs

The importance of animal welfare and the organic production of chicken eggs has increased in the European Union in recent years. Legal regulation for organic husbandry makes the production of organic chicken eggs more expensive compared to conventional husbandry and thus increases the risk of food f...

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Autores principales: Lösel, Henri, Brockelt, Johannes, Gärber, Florian, Teipel, Jan, Kuballa, Thomas, Seifert, Stephan, Fischer, Markus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10456441/
https://www.ncbi.nlm.nih.gov/pubmed/37623826
http://dx.doi.org/10.3390/metabo13080882
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author Lösel, Henri
Brockelt, Johannes
Gärber, Florian
Teipel, Jan
Kuballa, Thomas
Seifert, Stephan
Fischer, Markus
author_facet Lösel, Henri
Brockelt, Johannes
Gärber, Florian
Teipel, Jan
Kuballa, Thomas
Seifert, Stephan
Fischer, Markus
author_sort Lösel, Henri
collection PubMed
description The importance of animal welfare and the organic production of chicken eggs has increased in the European Union in recent years. Legal regulation for organic husbandry makes the production of organic chicken eggs more expensive compared to conventional husbandry and thus increases the risk of food fraud. Therefore, the aim of this study was to develop a non-targeted lipidomic LC-ESI-IM-qToF-MS method based on 270 egg samples, which achieved a classification accuracy of 96.3%. Subsequently, surrogate minimal depth (SMD) was applied to select important variables identified as carotenoids and lipids based on their MS/MS spectra. The LC-MS results were compared with FT-NIR spectroscopy analysis as a low-resolution screening method and achieved 80.0% accuracy. Here, SMD selected parts of the spectrum which are associated with lipids and proteins. Furthermore, we used SMD for low-level data fusion to analyze relations between the variables of the LC-MS and the FT-NIR spectroscopy datasets. Thereby, lipid-associated bands of the FT-NIR spectrum were related to the identified lipids from the LC-MS analysis, demonstrating that FT-NIR spectroscopy partially provides similar information about the lipidome. In future applications, eggs can therefore be analyzed with FT-NIR spectroscopy to identify conspicuous samples that can subsequently be counter-tested by mass spectrometry.
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spelling pubmed-104564412023-08-26 Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs Lösel, Henri Brockelt, Johannes Gärber, Florian Teipel, Jan Kuballa, Thomas Seifert, Stephan Fischer, Markus Metabolites Article The importance of animal welfare and the organic production of chicken eggs has increased in the European Union in recent years. Legal regulation for organic husbandry makes the production of organic chicken eggs more expensive compared to conventional husbandry and thus increases the risk of food fraud. Therefore, the aim of this study was to develop a non-targeted lipidomic LC-ESI-IM-qToF-MS method based on 270 egg samples, which achieved a classification accuracy of 96.3%. Subsequently, surrogate minimal depth (SMD) was applied to select important variables identified as carotenoids and lipids based on their MS/MS spectra. The LC-MS results were compared with FT-NIR spectroscopy analysis as a low-resolution screening method and achieved 80.0% accuracy. Here, SMD selected parts of the spectrum which are associated with lipids and proteins. Furthermore, we used SMD for low-level data fusion to analyze relations between the variables of the LC-MS and the FT-NIR spectroscopy datasets. Thereby, lipid-associated bands of the FT-NIR spectrum were related to the identified lipids from the LC-MS analysis, demonstrating that FT-NIR spectroscopy partially provides similar information about the lipidome. In future applications, eggs can therefore be analyzed with FT-NIR spectroscopy to identify conspicuous samples that can subsequently be counter-tested by mass spectrometry. MDPI 2023-07-25 /pmc/articles/PMC10456441/ /pubmed/37623826 http://dx.doi.org/10.3390/metabo13080882 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lösel, Henri
Brockelt, Johannes
Gärber, Florian
Teipel, Jan
Kuballa, Thomas
Seifert, Stephan
Fischer, Markus
Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title_full Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title_fullStr Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title_full_unstemmed Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title_short Comparative Analysis of LC-ESI-IM-qToF-MS and FT-NIR Spectroscopy Approaches for the Authentication of Organic and Conventional Eggs
title_sort comparative analysis of lc-esi-im-qtof-ms and ft-nir spectroscopy approaches for the authentication of organic and conventional eggs
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10456441/
https://www.ncbi.nlm.nih.gov/pubmed/37623826
http://dx.doi.org/10.3390/metabo13080882
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