Exhaled volatile organic compounds analysis in clinical pediatrics: a systematic review

Martínez, Rosa Alba Sola; Pastor, José M.; Torrado, Óscar Yanes; Díaz, Manuel Cánovas; Diego, Teresa De; Vinaixa, Maria

doi:10.1038/s41390-020-01116-8

Cited by 26 publications

(30 citation statements)

References 88 publications

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“…The preprocessing of data obtained by mass spectrometry has become a bottleneck of exhaled volatilome analysis that is necessary to overcome in the biomarker discovery phase. Indeed, the standardization of digital transformation of data obtained after breath analysis is highly important and essential to move the field forward 12,14,26,39 . Therefore, this paper presents, for the first time, a workflow for preprocessing the data obtained from the analysis of exhaled breath samples of humans using TD-GC/q-MS that integrates the current two main approaches.…”

Section: Discussionmentioning

confidence: 99%

“…However, this step is often poorly reported in studies about VOC analysis in exhaled breath 26 . Therefore, the development of reproducible and comparable protocols for data preprocessing plays a crucial role in overcoming the discovery phase 12,26 . The scientific community remains stalled regarding the use of proprietary software, despite the great advances in recent years in the field of bioinformatics, especially in open source solutions.…”

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confidence: 99%

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Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources

Martínez

Pastor

Terol

et al. 2020

Sci Rep

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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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Section: Discussionmentioning

confidence: 99%

mentioning

confidence: 99%

Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources

Martínez

Pastor

Terol

et al. 2020

Sci Rep

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“…Unfortunately, this strategy is still in the exploratory phase, and several aspects have to be improved for its introduction in a clinical context 29 , 32 , 33 . Therefore, the best metabolomic practices are essential to overcome this initial phase, for instance, conducting studies that involve large numbers of subjects, assessment of environmental influences on breath samples, implementation of reproducible and transparent data preprocessing workflows and performing a robust data analysis, among others 29 , 33 . In this regard, the identification of VOCs as possible biomarkers of diseases requires an adequate data analysis.…”

Section: Introductionmentioning

confidence: 99%

“…In this regard, the identification of VOCs as possible biomarkers of diseases requires an adequate data analysis. A large volume of research has considered the creation of predictive models for clinical data; however, much existing literature reports attractive results not validated in an independent set for checking model interpretability and generalizability 29 , 33 .…”

Section: Introductionmentioning

confidence: 99%

Exhaled volatilome analysis as a useful tool to discriminate asthma with other coexisting atopic diseases in women of childbearing age

Martínez

Lozano‐Terol

Gallego‐Jara

et al. 2021

Sci Rep

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The prevalence of asthma is considerably high among women of childbearing age. Most asthmatic women also often have other atopic disorders. Therefore, the differentiation between patients with atopic diseases without asthma and asthmatics with coexisting diseases is essential to avoid underdiagnosis of asthma and to design strategies to reduce symptom severity and improve quality of life of patients. Hence, we aimed for the first time to conduct an analysis of volatile organic compounds in exhaled breath of women of childbearing age as a new approach to discriminate between asthmatics with other coexisting atopic diseases and non-asthmatics (with or without atopic diseases), which could be a helpful tool for more accurate asthma detection and monitoring using a noninvasive technique in the near future. In this study, exhaled air samples of 336 women (training set (n = 211) and validation set (n = 125)) were collected and analyzed by thermal desorption coupled with gas chromatography-mass spectrometry. ASCA (ANOVA (analysis of variance) simultaneous component analysis) and LASSO + LS (least absolute shrinkage and selection operator + logistic regression) were employed for data analysis. Fifteen statistically significant models (p-value < 0.05 in permutation tests) that discriminated asthma with other coexisting atopic diseases in women of childbearing age were generated. Acetone, 2-ethyl-1-hexanol and a tetrahydroisoquinoline derivative were selected as discriminants of asthma with other coexisting atopic diseases. In addition, carbon disulfide, a tetrahydroisoquinoline derivative, 2-ethyl-1-hexanol and decane discriminated asthma disease among patients with other atopic disorders. Results of this study indicate that refined metabolomic analysis of exhaled breath allows asthma with other coexisting atopic diseases discrimination in women of reproductive age.

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“…These compounds can be detected in breath, urine, and feces [ 75 ] ( Figure 1 ). Specific VOC patterns reflect health status and are supposed to undergo disease-specific changes [ 76 ].…”

Section: Discussionmentioning

confidence: 99%

Are Volatile Organic Compounds Accurate Markers in the Assessment of Colorectal Cancer and Inflammatory Bowel Diseases? A Review

Vernia

Valvano

Fabiani

et al. 2021

Cancers

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Colorectal cancer (CRC) is one of the leading causes of cancer-related death in the Western world. Early detection decreases incidence and mortality. Screening programs based on fecal occult blood testing help identify patients requiring endoscopic examination, but accuracy is far from optimal. Among the alternative strategies, volatile organic compounds (VOCs) represent novel potentially useful biomarkers of colorectal cancer. They also represent a promising tool for the screening of both intestinal inflammation and related CRC. The review is focused on the diagnostic potential of VOCs in sporadic CRC and in inflammatory bowel diseases (IBD), which increase the risk of CRC, analyzing future clinical applications. Despite limitations related to inadequate strength of evidence, differing analytical platforms identify different VOCs, and this unconventional approach for diagnosing colorectal cancer is promising. Some VOC profiles, besides identifying inflammation, seem disease-specific in inflammatory bowel diseases. Thus, breath, urine, and fecal VOCs provide a new and promising clinical approach to differential diagnosis, evaluation of the inflammatory status, and possibly the assessment of treatment efficacy in IBD. Conversely, specific VOC patterns correlating inflammatory bowel disease and cancer risk are still lacking, and studies focused on this issue are strongly encouraged. No prospective studies have assessed the risk of CRC development by using VOCs in samples collected before the onset of disease, both in the general population and in patients with IBD.

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Exhaled volatile organic compounds analysis in clinical pediatrics: a systematic review

Cited by 26 publications

References 88 publications

Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources

Data preprocessing workflow for exhaled breath analysis by GC/MS using open sources

Exhaled volatilome analysis as a useful tool to discriminate asthma with other coexisting atopic diseases in women of childbearing age

Are Volatile Organic Compounds Accurate Markers in the Assessment of Colorectal Cancer and Inflammatory Bowel Diseases? A Review

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