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Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources

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dc.contributor.authorPastor Hernández, José María
dc.contributor.authorLozano-Terol, Gema
dc.contributor.authorGarcía-Marcos Álvarez, Luis Vicente
dc.contributor.authorCánovas Díaz, Manuel
dc.contributor.authorDiego Puente, Teresa de
dc.contributor.authorGallego Jara, Julia
dc.contributor.authorSola Martínez, Rosa Alba
dc.contributor.departmentBioquímica y Biología Molecular B e Inmunología
dc.date.accessioned2021-11-04T11:06:13Z
dc.date.available2021-11-04T11:06:13Z
dc.date.issued2020
dc.description.abstractThe noninvasive diagnosis and monitoring of high prevalence diseases such as cardiovascular diseases, cancers and chronic respiratory diseases are currently priority objectives in the area of health. In this regard, the analysis of volatile organic compounds (VOCs) has been identified as a potential noninvasive tool for the diagnosis and surveillance of several diseases. Despite the advantages of this strategy, it is not yet a routine clinical tool. The lack of reproducible protocols for each step of the biomarker discovery phase is an obstacle of the current state. Specifically, this issue is present at the data preprocessing step. Thus, an open source workflow for preprocessing the data obtained by the analysis of exhaled breath samples using gas chromatography coupled with single quadrupole mass spectrometry (GC/MS) is presented in this paper. This workflow is based on the connection of two approaches to transform raw data into a useful matrix for statistical analysis. Moreover, this workflow includes matching compounds from breath samples with a spectral library. Three free packages (xcms, cliqueMS and eRah) written in the language R are used for this purpose. Furthermore, this paper presents a suitable protocol for exhaled breath sample collection from infants under 2 years of age for GC/MS.es
dc.formatapplication/pdfes
dc.format.extent12es
dc.identifier.citationScientific Reports | (2020) 10:22008
dc.identifier.doi10.1038/s41598-020-79014-6
dc.identifier.issn2045-2322
dc.identifier.urihttp://hdl.handle.net/10201/113698
dc.languageenges
dc.relationThis work was supported by grants from the Instituto de Salud Carlos III through the project "PIE15/00051" (cofunded by the European Regional Development Fund/European Social Fund "A way to make Europe"/"Investing in your future"), the Ministry of Science, Innovation and Universities (MCIU), the State Research Agency (AEI) and the European Regional Development Fund (FEDER), RTI2018- 094393- B- C21- MCIU/AEI/FEDER, UE, and the Seneca Foundation CARM, 20786/PI/18.es
dc.rightsinfo:eu-repo/semantics/openAccesses
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectexhaled breathes
dc.subjectGC/ MSes
dc.subject.otherCDU::5 - Ciencias puras y naturales::57 - Biología::577 - Bioquímica. Biología molecular. Biofísicaes
dc.titleData preprocessing workflow for exhaled breath analysis by GC/MS using open sourceses
dc.typeinfo:eu-repo/semantics/articlees
dspace.entity.typePublicationes
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relation.isAuthorOfPublication.latestForDiscovery57bf3537-1124-49ab-8774-bd0c3bdf1c28
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