Breath analysis by two-dimensional gas chromatography with dual flame ionisation and mass spectrometric detection – Method optimisation and integration within a large-scale clinical study
•New method for the analysis of exhaled breath VOCs by TD-GC × GC-FID/qMS.•Optimisation of flow modulation and dual detection alongside clinical requirements.•Addresses key challenges of using GC × GC for large-scale breath metabolomics. Precision medicine has spurred new innovations in molecular pa...
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Veröffentlicht in: | Journal of Chromatography A 2019-06, Vol.1594, p.160-172 |
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Hauptverfasser: | , , , , , , , , , , , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | •New method for the analysis of exhaled breath VOCs by TD-GC × GC-FID/qMS.•Optimisation of flow modulation and dual detection alongside clinical requirements.•Addresses key challenges of using GC × GC for large-scale breath metabolomics.
Precision medicine has spurred new innovations in molecular pathology leading to recent advances in the analysis of exhaled breath as a non-invasive diagnostic tool. Volatile organic compounds (VOCs) detected in exhaled breath have the potential to reveal a wealth of chemical and metabolomic information. This study describes the development of a method for the analysis of breath, based on automated thermal desorption (TD) combined with flow modulated comprehensive two-dimensional gas chromatography (GC×GC) with dual flame ionisation and quadrupole mass spectrometric detection (FID and qMS). The constrained optimisation and analytical protocol was designed to meet the practical demands of a large-scale multi-site clinical study, while maintaining analytical rigour to produce high fidelity data. The results demonstrate a comprehensive method optimisation for the collection and analysis of breath VOCs by GC×GC, integral to the standardisation and integration of breath analysis within large clinical studies. |
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ISSN: | 0021-9673 1873-3778 |
DOI: | 10.1016/j.chroma.2019.02.001 |