High-quality identification of volatile organic compounds (VOCs) originating from breath

Introduction Volatile organic compounds (VOCs) can arise from underlying metabolism and are detectable in exhaled breath, therefore offer a promising route to non-invasive diagnostics. Robust, precise, and repeatable breath measurement platforms able to identify VOCs in breath distinguishable from b...

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Veröffentlicht in:Metabolomics 2024-09, Vol.20 (5), p.102, Article 102
Hauptverfasser: Arulvasan, Wisenave, Chou, Hsuan, Greenwood, Julia, Ball, Madeleine L., Birch, Owen, Coplowe, Simon, Gordon, Patrick, Ratiu, Andreea, Lam, Elizabeth, Hatch, Ace, Szkatulska, Monika, Levett, Steven, Mead, Ella, Charlton-Peel, Chloe, Nicholson-Scott, Louise, Swann, Shane, van Schooten, Frederik-Jan, Boyle, Billy, Allsworth, Max
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Sprache:eng
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Zusammenfassung:Introduction Volatile organic compounds (VOCs) can arise from underlying metabolism and are detectable in exhaled breath, therefore offer a promising route to non-invasive diagnostics. Robust, precise, and repeatable breath measurement platforms able to identify VOCs in breath distinguishable from background contaminants are needed for the confident discovery of breath-based biomarkers. Objectives To build a reliable breath collection and analysis method that can produce a comprehensive list of known VOCs in the breath of a heterogeneous human population. Methods The analysis cohort consisted of 90 pairs of breath and background samples collected from a heterogenous population. Owlstone Medical’s Breath Biopsy ® OMNI ® platform, consisting of sample collection, TD-GC-MS analysis and feature extraction was utilized. VOCs were determined to be “on-breath” if they met at least one of three pre-defined metrics compared to paired background samples. On-breath VOCs were identified via comparison against purified chemical standards, using retention indexing and high-resolution accurate mass spectral matching. Results 1471 VOCs were present in > 80% of samples (breath and background), and 585 were on-breath by at least one metric. Of these, 148 have been identified covering a broad range of chemical classes. Conclusions A robust breath collection and relative-quantitative analysis method has been developed, producing a list of 148 on-breath VOCs, identified using purified chemical standards in a heterogenous population. Providing confirmed VOC identities that are genuinely breath-borne will facilitate future biomarker discovery and subsequent biomarker validation in clinical studies. Additionally, this list of VOCs can be used to facilitate cross-study data comparisons for improved standardization.
ISSN:1573-3890
1573-3882
1573-3890
DOI:10.1007/s11306-024-02163-6