Abstract
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.
Highlights
Comprehensive two-dimensional gas chromatography (GC×GC) is an advanced analytical technique used for the analysis of complex organic matrices; its main advantage is the unparalleled separation power it can afford over conventional one-dimensional gas chromatography
This study reports a new method, developed for the analysis of exhaled breath Volatile organic compounds (VOCs) by thermal desorption coupled to a flow modulated GC×GC with dual FID and MS detection
To the best of the authors’ knowledge, this is the first application of flow modulation GC×GC, along with dual detection (GC×GC-qMS/FID), for the analysis of exhaled breath VOCs, for integration as part of a biomarker discovery phase within a large-scale clinical study
Summary
Comprehensive two-dimensional gas chromatography (GC×GC) is an advanced analytical technique used for the analysis of complex organic matrices; its main advantage is the unparalleled separation power it can afford over conventional one-dimensional gas chromatography. For many applications, one-dimensional gas chromatography combined with mass spectrometric or flame ionisation detection (GC–MS and GC-FID) is still considered the ‘gold standard’ [1], despite the potential benefits realised by GC×GC. GC×GC has been utilised for a wide range of applications, with increasing application in the detection of biomarkers within metabolomics studies [2,3,4]. The majority are performed on a small scale and involve the use of expensive or specialist detectors and modulators, resulting in high consumable and technical costs. GC×GC produces extensive data-rich chromatograms which require specialist knowledge to interpret. Et al, 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, J.
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