ArticleScientific reports2020
Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 36 citations in OpenAlex.
- ABOV: A Novel System of Direct Headspace Skin Sampling to Study Human Body Odor.Journal of chemical ecology · 2025Article
- Breath Analysis via Surface Enhanced Raman Spectroscopy.ACS sensors · 2025Review
- Impact of environmental exposures on exhaled breath and lung function: NELA Birth Cohort.ERJ open research · 2025Article
- External Validation of Potential Breath Biomarkers for Asthma: A Step Forward Toward the Clinical Implementation of Breath Analysis.American journal of respiratory and critical care medicine · 2024Article
- Fulfilling the Promise of Breathomics: Considerations for the Discovery and Validation of Exhaled Volatile Biomarkers.American journal of respiratory and critical care medicine · 2024Review
- Breathomics Detect the Cardiovascular Disease: Delusion or Dilution of the Metabolomic Signature.Current cardiology reviews · 2024Review
- Diagnosis by Volatile Organic Compounds in Exhaled Breath in Exhaled Breath from Patients with Gastric and Colorectal Cancers.International journal of molecular sciences · 2022Review
- Review
- Mid-infrared supercontinuum-based Fourier transform spectroscopy for plasma analysis.Scientific reports · 2022Article
- Volatile Organic Compounds Frequently Identified after Hyperbaric Hyperoxic Exposure: The VAPOR Library.Metabolites · 2022Article
- Relationship between lung function and exhaled volatile organic compounds in healthy infants.Pediatric pulmonology · 2022Article
- Deep Learning for Type 1 Diabetes Mellitus Diagnosis Using Infrared Quantum Cascade Laser Spectroscopy.Materials (Basel, Switzerland) · 2022Article
- Exhaled volatilome analysis as a useful tool to discriminate asthma with other coexisting atopic diseases in women of childbearing age.Scientific reports · 2021Article
- Machine Learning Techniques for Personalised Medicine Approaches in Immune-Mediated Chronic Inflammatory Diseases: Applications and Challenges.Frontiers in pharmacology · 2021Review
Corrections and comments
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Authors and funding
7 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The noninvasive diagnosis and monitoring of high prevalence diseases such as cardiovascular diseases, cancers and chronic respiratory diseases are currently priority objectives in the area of health. In this regard, the analysis of volatile organic compounds (VOCs) has been identified as a potential noninvasive tool for the diagnosis and surveillance of several diseases. Despite the advantages of this strategy, it is not yet a routine clinical tool. The lack of reproducible protocols for each step of the biomarker discovery phase is an obstacle of the current state. Specifically, this issue is present at the data preprocessing step. Thus, an open source workflow for preprocessing the data obtained by the analysis of exhaled breath samples using gas chromatography coupled with single quadrupole mass spectrometry (GC/MS) is presented in this paper. This workflow is based on the connection of two approaches to transform raw data into a useful matrix for statistical analysis. Moreover, this workflow includes matching compounds from breath samples with a spectral library. Three free packages (xcms, cliqueMS and eRah) written in the language R are used for this purpose. Furthermore, this paper presents a suitable protocol for exhaled breath sample collection from infants under 2 years of age for GC/MS.
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