Determination of Untargeted Metabolomic Profile in Breath Condensate Using LC-QTOF/MS and Investigation of Potential Lung Cancer-Specific Biomarkers
Year: 2025
Type: article
Study design: Observational Study
Abstract: INTRODUCTION: The present study aimed to investigate potential lung cancer-specific biomarkers through untargeted metabolomic profiling of EBC samples using liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (LC-QTOF/MS). Breath samples were collected from lung cancer patients and healthy controls, and data were analyzed using multivariate statistical approaches to identify significant metabolic differences between the two groups. MATERIAL AND METHODS: EBC samples were collected in the morning after overnight fasting. Participants inhaled filtered air through their noses and exhaled through their mouths into a thermostat-controlled condenser system maintained at +4 °C for 15 minutes. Saliva contamination was prevented using a U-shaped glass trap. The collected condensate (approximately 2-2.5 mL) was transferred into Teflon tubes and stored at -80 °C until analysis. Metabolites were separated by LC-QTOF/MS, a high-resolution analytical platform suitable for untargeted metabolomics due to its excellent mass accuracy and sensitivity. Raw data were processed using Signpost MS software for peak alignment, normalization, and statistical comparison. Principal component analysis (PCA) and hierarchical clustering were applied to visualize group separation and identify metabolite patterns associated with lung cancer. The workflow of the method is shown in Figure 1. RESULTS: Additional compounds such as N-(2,4-dichlorophenyl) hydrazinecarboxamide and 4-dimethylaminobenzophenone were also detected, possibly representing exogenous exposures or metabolic byproducts of oxidative stress.These findings collectively indicate that EBC metabolomics provides a rich biochemical snapshot of lung pathophysiology. The untargeted LC-QTOF/MS approach offers both qualitative and quantitative insights into metabolite alterations, thereby establishing EBC as a promising diagnostic medium for early lung cancer screening. CONCLUSION: The results of this study demonstrated that untargeted metabolomic profiling of EBC can successfully distinguish lung cancer patients from healthy individuals. Identified biomarkers such as L-alanine and creatine show potential for early disease detection and could serve as the foundation for developing non-invasive screening tools. Future studies should validate these findings in larger cohorts and explore longitudinal sampling to assess biomarker stability and diagnostic accuracy. The integration of high-resolution mass spectrometry with non-invasive sampling techniques represents a powerful direction in personalized oncology. Such approaches may complement existing diagnostic modalities and contribute to earlier detection, better prognosis, and improved patient outcomes.
Source: Thoracic research and practice
Authors: Ebru Cakan Yildirim, Füsun Pelit, Korcan Korba, Murat Ali Salan, Tuncay Goksel, Levent Pelit
Institution: Ege University
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: diamond
OpenAlex ID: W4416854525
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