Generating pooled quality control samples of volatile organic compounds

Waqar Ahmed, Maxim Wilkinson, Stephen J. Fowler*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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Abstract

Untargeted analysis of volatile organic compounds (VOCs) from exhaled breath and culture headspace are influenced by several confounding factors not represented in reference standards. In this study, we propose a method of generating pooled quality control (QC) samples for untargeted VOC studies using a split-recollection workflow with thermal desorption tubes. Sample tubes were desorbed and split from each sample and recollected onto a single tube, generating a pooled QC sample. This QC sample was then repeatedly desorbed and recollected with a sequentially lower split ratio allowing injection of multiple QC samples. We found pooled QC samples to be representative of complex mixtures using principal component analysis and may be useful in future longitudinal, multi-centre, and validation studies to assess data quality and adjust for batch effects.

Original languageEnglish
Article number041004
Number of pages5
JournalJournal of Breath Research
Volume18
Issue number4
Early online date19 Sept 2024
DOIs
Publication statusPublished - 1 Oct 2024

Keywords

  • breath analysis
  • GC-MS
  • metabolomics
  • pooled QC
  • quality control
  • standardisation
  • thermal desorption

ASJC Scopus subject areas

  • Pulmonary and Respiratory Medicine

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