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Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats

Rapid evaporative ionization mass spectrometry (REIMS) is a direct tissue metabolic profiling technique used to accurately classify tissues using pre-built mass spectral databases. The reproducibility of the analytical equipment, methodology and tissue classification algorithms has yet to be evaluat...

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Autores principales: Kaufmann, Martin, Vaysse, Pierre-Maxence, Savage, Adele, Amgheib, Ala, Marton, András, Manoli, Eftychios, Fichtinger, Gabor, Pringle, Steven D., Rudan, John F., Heeren, Ron M. A., Takáts, Zoltán, Balog, Júlia, Porta Siegel, Tiffany
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9699633/
https://www.ncbi.nlm.nih.gov/pubmed/36422272
http://dx.doi.org/10.3390/metabo12111130
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author Kaufmann, Martin
Vaysse, Pierre-Maxence
Savage, Adele
Amgheib, Ala
Marton, András
Manoli, Eftychios
Fichtinger, Gabor
Pringle, Steven D.
Rudan, John F.
Heeren, Ron M. A.
Takáts, Zoltán
Balog, Júlia
Porta Siegel, Tiffany
author_facet Kaufmann, Martin
Vaysse, Pierre-Maxence
Savage, Adele
Amgheib, Ala
Marton, András
Manoli, Eftychios
Fichtinger, Gabor
Pringle, Steven D.
Rudan, John F.
Heeren, Ron M. A.
Takáts, Zoltán
Balog, Júlia
Porta Siegel, Tiffany
author_sort Kaufmann, Martin
collection PubMed
description Rapid evaporative ionization mass spectrometry (REIMS) is a direct tissue metabolic profiling technique used to accurately classify tissues using pre-built mass spectral databases. The reproducibility of the analytical equipment, methodology and tissue classification algorithms has yet to be evaluated over multiple sites, which is an essential step for developing this technique for future clinical applications. In this study, we harmonized REIMS methodology using single-source reference material across four sites with identical equipment: Imperial College London (UK); Waters Research Centre (Hungary); Maastricht University (The Netherlands); and Queen’s University (Canada). We observed that method harmonization resulted in reduced spectral variability across sites. Each site then analyzed four different types of locally-sourced food-grade animal tissue. Tissue recognition models were created at each site using multivariate statistical analysis based on the different metabolic profiles observed in the m/z range of 600–1000, and these models were tested against data obtained at the other sites. Cross-validation by site resulted in 100% correct classification of two reference tissues and 69–100% correct classification for food-grade meat samples. While we were able to successfully minimize between-site variability in REIMS signals, differences in animal tissue from local sources led to significant variability in the accuracy of an individual site’s model. Our results inform future multi-site REIMS studies applied to clinical samples and emphasize the importance of carefully-annotated samples that encompass sufficient population diversity.
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spelling pubmed-96996332022-11-26 Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats Kaufmann, Martin Vaysse, Pierre-Maxence Savage, Adele Amgheib, Ala Marton, András Manoli, Eftychios Fichtinger, Gabor Pringle, Steven D. Rudan, John F. Heeren, Ron M. A. Takáts, Zoltán Balog, Júlia Porta Siegel, Tiffany Metabolites Article Rapid evaporative ionization mass spectrometry (REIMS) is a direct tissue metabolic profiling technique used to accurately classify tissues using pre-built mass spectral databases. The reproducibility of the analytical equipment, methodology and tissue classification algorithms has yet to be evaluated over multiple sites, which is an essential step for developing this technique for future clinical applications. In this study, we harmonized REIMS methodology using single-source reference material across four sites with identical equipment: Imperial College London (UK); Waters Research Centre (Hungary); Maastricht University (The Netherlands); and Queen’s University (Canada). We observed that method harmonization resulted in reduced spectral variability across sites. Each site then analyzed four different types of locally-sourced food-grade animal tissue. Tissue recognition models were created at each site using multivariate statistical analysis based on the different metabolic profiles observed in the m/z range of 600–1000, and these models were tested against data obtained at the other sites. Cross-validation by site resulted in 100% correct classification of two reference tissues and 69–100% correct classification for food-grade meat samples. While we were able to successfully minimize between-site variability in REIMS signals, differences in animal tissue from local sources led to significant variability in the accuracy of an individual site’s model. Our results inform future multi-site REIMS studies applied to clinical samples and emphasize the importance of carefully-annotated samples that encompass sufficient population diversity. MDPI 2022-11-17 /pmc/articles/PMC9699633/ /pubmed/36422272 http://dx.doi.org/10.3390/metabo12111130 Text en © 2022 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
Kaufmann, Martin
Vaysse, Pierre-Maxence
Savage, Adele
Amgheib, Ala
Marton, András
Manoli, Eftychios
Fichtinger, Gabor
Pringle, Steven D.
Rudan, John F.
Heeren, Ron M. A.
Takáts, Zoltán
Balog, Júlia
Porta Siegel, Tiffany
Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title_full Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title_fullStr Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title_full_unstemmed Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title_short Harmonization of Rapid Evaporative Ionization Mass Spectrometry Workflows across Four Sites and Testing Using Reference Material and Local Food-Grade Meats
title_sort harmonization of rapid evaporative ionization mass spectrometry workflows across four sites and testing using reference material and local food-grade meats
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9699633/
https://www.ncbi.nlm.nih.gov/pubmed/36422272
http://dx.doi.org/10.3390/metabo12111130
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