Identification of volatile biomarkers in exhaled breath by polythiophene solid phase microextraction fiber for disease diagnosis using GC-MS

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dc.authorid0000-0003-0551-664X
dc.authorid0000-0003-1121-9967
dc.authorid0000-0001-9866-4865
dc.authorid0000-0002-8993-674X
dc.authorid0000-0001-8090-703X
dc.authorid0000-0002-0747-9806
dc.authorid0000-0001-7897-3265
dc.authorid0000-0002-3099-9172
dc.authorid0000-0002-1940-7279
dc.authorid0000-0002-6089-1840
dc.contributor.authorPelit, Fusun
dc.contributor.authorGoksel, Ozlem
dc.contributor.authorDizdas, Tugberk Nail
dc.contributor.authorArin, Aycan
dc.contributor.authorOzgur, Su
dc.contributor.authorErbas, Ilknur
dc.contributor.authorPelit, Levent
dc.contributor.authorGursoy, Arif
dc.contributor.authorOrdin, Burak
dc.contributor.authorKarakus, Haydar Soydaner
dc.contributor.authorErtas, Fatma Nil
dc.contributor.authorGoksel, Tuncay
dc.date.accessioned2025-03-25T07:07:55Z
dc.date.available2025-03-25T07:07:55Z
dc.date.issued2024
dc.departmentEge Üniversitesi, Fen Fakültesi, Kimya Bölümü
dc.description.abstractThe diagnosis of diseases through monitoring of volatile organic compounds (VOCs) in exhaled breath (EB) holds great potential for clinical applications. However, a standardized method for VOC analysis in EB yet to be proposed. The present study presents an untargeted method for screening and identifying potential volatile biomarkers in EB by a lab-made solid phase microextraction (SPME) fiber. A polythiophene-based SPME fiber was produced by an electrochemical method and VOC sampling was performed under dynamic and controlled conditions. Following the sampling step, the adsorbed VOCs on the SPME fiber were analyzed using gas chromatography-mass spectrometry (GC-MS). The VOCs in EB were screened by the MS detector in selected ion monitoring (SIM) mode within the mass/charge (m/z) range of 13-94 values. Potential biomarkers among all detected VOCs in each subject's EB sample were identified through machine learning algorithms, employing a comparative analysis of distinctive retention times (RT) and peak areas between the lung cancer (LC) and control groups in two stages. In the initial stage of the study, the areas of all peaks observed in the SIM-GC-MS chromatograms of 25 LC and 51 control group subjects were integrated, and the resulting retention times and peak areas were recorded for subsequent analysis to identify potential biomarkers. A total of 1.346 distinct compounds were detected among the 76 subjects in this step, and statistical analysis using the LightGBM algorithm revealed the potential biomarkers for LC diagnosis. The PTh-SPME fibre successfully identified four novel cancer biomarkers in breath matrix: 4-heptenal, 4-methyl-1-octene, 1,2,3,4-tetrahydro-5,8-dimethyl-1-octylnaphthalene and tetrahydro-2-(2,5-undecadiynyloxy)-2H-pyran. In the second step of the study, the efficacy of the top ten selected biomarkers was evaluated in a cohort of 166 subjects, including 70 individuals with LC and 96 in the control group. The model achieved accuracy, area under the curve (AUC), and F Score values of 0.818, 0.816, and 0.817, respectively. The test model correctly predicted 27 out of 33 subjects between LC and control groups.
dc.identifier.citationPelit, F., Goksel, O., Nail Dizdas, T., Arin, A., Ozgur, S., Erbas, I., Gursoy, A., Ordin, B., Soydaner Karakus, H., Nil Ertas, F., Ozdemir, D., Goksel, T., & Pelit, L. (2024). Identification of volatile biomarkers in exhaled breath by polythiophene solid phase microextraction fiber for disease diagnosis using GC–MS. Microchemical Journal, 207, 112067.
dc.identifier.doi10.1016/j.microc.2024.112067
dc.identifier.endpage9
dc.identifier.issn0026265X
dc.identifier.issueDec
dc.identifier.scopus2-s2.0-85208076794
dc.identifier.scopusqualityQ1
dc.identifier.startpage1
dc.identifier.urihttps://doi.org/10.1016/j.microc.2024.112067
dc.identifier.urihttps://hdl.handle.net/11454/116907
dc.identifier.volume207
dc.identifier.wosWOS:001350542300001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorPelit, Fusun
dc.institutionauthorGoksel, Ozlem
dc.institutionauthorDizdas, Tugberk Nail
dc.institutionauthorArin, Aycan
dc.institutionauthorOzgur, Su
dc.institutionauthorErbas, Ilknur
dc.institutionauthorPelit, Levent
dc.institutionauthorGursoy, Arif
dc.institutionauthorOrdin, Burak
dc.institutionauthorKarakus, Haydar Soydaner
dc.institutionauthorErtas, Fatma Nil
dc.institutionauthorGoksel, Tuncay
dc.institutionauthorid0000-0003-0551-664X
dc.institutionauthorid0000-0003-1121-9967
dc.institutionauthorid0000-0001-9866-4865
dc.institutionauthorid0000-0002-8993-674X
dc.institutionauthorid0000-0001-8090-703X
dc.institutionauthorid0000-0002-0747-9806
dc.institutionauthorid0000-0001-7897-3265
dc.institutionauthorid0000-0002-3099-9172
dc.institutionauthorid0000-0002-1940-7279
dc.institutionauthorid0000-0002-6089-1840
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofMicrochemical Journal
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectConducting polymer
dc.subjectExhaled breath analysis
dc.subjectLung cancer
dc.subjectSelected ion monitoring mode
dc.subjectSolid-phase microextraction
dc.subjectUntargeted biomarker screening
dc.subjectVolatile organic biomarkers
dc.titleIdentification of volatile biomarkers in exhaled breath by polythiophene solid phase microextraction fiber for disease diagnosis using GC-MS
dc.typeArticle

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