Department of Chemistry, University of Leicester, University Road, Leicester, LE1 7RH, UK.
Centre of Analytical Science, Loughborough University, Epinal Way, Loughborough, LE11 3TU, UK.
J Chromatogr A. 2019 Jun 7;1594:160-172. doi: 10.1016/j.chroma.2019.02.001. Epub 2019 Feb 5.
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.
精准医学推动了分子病理学的新创新，导致最近呼气分析作为一种非侵入性诊断工具的进展。在呼气中检测到的挥发性有机化合物（VOCs）有可能揭示大量的化学和代谢组学信息。本研究描述了一种基于自动热解吸（TD）与流调制全二维气相色谱（GC×GC）相结合的呼吸分析方法的开发，该方法采用双火焰离子化和四极杆质谱检测（FID 和 qMS）。约束优化和分析方案的设计旨在满足大型多站点临床研究的实际需求，同时保持分析严谨性，以产生高保真数据。结果表明，GC×GC 对呼吸 VOCs 的采集和分析进行了全面的方法优化，这是呼吸分析在大型临床研究中标准化和整合的关键。
