| Title: | Comparison of Targeted and Untargeted Approaches in Breath Analysis for the Discrimination of Lung Cancer from Benign Pulmonary Diseases and Healthy Persons |
| Author(s): | Koureas M; Kalompatsios D; Amoutzias GD; Hadjichristodoulou C; Gourgoulianis K; Tsakalof A; |
| Address: | "Department of Hygiene and Epidemiology, University Hospital of Larissa, Faculty of Medicine, University of Thessaly, 22 Papakyriazi Street, 41222 Larissa, Greece. Bioinformatics Laboratory, Department of Biochemistry and Biotechnology, University of Thessaly, 41500 Larissa, Greece. Respiratory Medicine Department, University Hospital of Larissa, Faculty of Medicine, University of Thessaly, 41110 Larissa, Greece. Department of Biochemistry, Faculty of Medicine, University of Thessaly, 41500 Larissa, Greece" |
| DOI: | 10.3390/molecules26092609 |
| ISSN/ISBN: | 1420-3049 (Electronic) 1420-3049 (Linking) |
| Abstract: | "The aim of the present study was to compare the efficiency of targeted and untargeted breath analysis in the discrimination of lung cancer (Ca+) patients from healthy people (HC) and patients with benign pulmonary diseases (Ca-). Exhaled breath samples from 49 Ca+ patients, 36 Ca- patients and 52 healthy controls (HC) were analyzed by an SPME-GC-MS method. Untargeted treatment of the acquired data was performed with the use of the web-based platform XCMS Online combined with manual reprocessing of raw chromatographic data. Machine learning methods were applied to estimate the efficiency of breath analysis in the classification of the participants. Results: Untargeted analysis revealed 29 informative VOCs, from which 17 were identified by mass spectra and retention time/retention index evaluation. The untargeted analysis yielded slightly better results in discriminating Ca+ patients from HC (accuracy: 91.0%, AUC: 0.96 and accuracy 89.1%, AUC: 0.97 for untargeted and targeted analysis, respectively) but significantly improved the efficiency of discrimination between Ca+ and Ca- patients, increasing the accuracy of the classification from 52.9 to 75.3% and the AUC from 0.55 to 0.82. Conclusions: The untargeted breath analysis through the inclusion and utilization of newly identified compounds that were not considered in targeted analysis allowed the discrimination of the Ca+ from Ca- patients, which was not achieved by the targeted approach" |
| Keywords: | "Aged *Biomarkers Breath Tests/*methods Case-Control Studies Diagnosis, Differential Disease Susceptibility Exhalation Female Gas Chromatography-Mass Spectrometry Humans Lung Diseases/*diagnosis/etiology/metabolism Lung Neoplasms/*diagnosis/etiology/metabo;" |
| Notes: | "MedlineKoureas, Michalis Kalompatsios, Dimitrios Amoutzias, Grigoris D Hadjichristodoulou, Christos Gourgoulianis, Konstantinos Tsakalof, Andreas eng Project No.: 5394.02.07/Stavros Niarchos Foundation(SNF)/ Switzerland 2021/05/06 Molecules. 2021 Apr 29; 26(9):2609. doi: 10.3390/molecules26092609" |
