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 Chromatogr A. 2019 Jun 7:1594:160-172. doi: 10.1016/j.chroma.2019.02.001. Epub 2019 Feb 5.

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.

Keywords: Breath analysis; Comprehensive two-dimensional gas chromatography; Flow modulation; GC×GC; Metabolomics; Precision medicine.

MeSH terms

  • Breath Tests / methods*
  • Clinical Studies as Topic / methods*
  • Flame Ionization*
  • Gas Chromatography-Mass Spectrometry*
  • Humans
  • Reference Standards
  • Volatile Organic Compounds / analysis*

Substances

  • Volatile Organic Compounds