Quantitative Analysis of Urine Vapor and Breath by Gas-Liquid Partition Chromatography

Pauling, Linus; Robinson, Arthur L.; Teranishi, Roy; Cary, Paul

doi:10.1073/pnas.68.10.2374

Cited by 893 publications

(592 citation statements)

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“…As molecular diagnosis is the next generation of personalized medicine [2] an objective of the purposed work is to contribute for the interdisciplinary link between physicians and biochemists, providing tools for a more efficient and precise diagnosis. Exhaled breath is a rich source, as found out by Pauling in the 1970s, with the identification of 250 metabolites beside nitrogen, oxygen and water vapour [3]. The development of new and more efficient extraction methods, as well as, more sensitive and efficient separation techniques led to a significant progress in this research area.…”

Section: Introductionmentioning

confidence: 99%

Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology

Caldeira

Barros

Bilelo³

et al. 2011

Journal of Chromatography A

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a b s t r a c tAllergic asthma represents an important public health issue with significant growth over the years, especially in the paediatric population. Exhaled breath is a non-invasive, easily performed and rapid method for obtaining samples from the lower respiratory tract. In the present manuscript, the metabolic volatile profiles of allergic asthma and control children were evaluated by headspace solid-phase microextraction combined with gas chromatography-quadrupole mass spectrometry (HS-SPME/GC-qMS). The lack of studies in breath of allergic asthmatic children by HS-SPME led to the development of an experimental design to optimize SPME parameters. To fulfil this objective, three important HS-SPME experimental parameters that influence the extraction efficiency, namely fibre coating, temperature and time extractions were considered. The selected conditions that promoted higher extraction efficiency corresponding to the higher GC peak areas and number of compounds were: DVB/CAR/PDMS coating fibre, 22 • C and 60 min as the extraction temperature and time, respectively. The suitability of two containers, 1 L Tedlar ® bags and BIOVOC ® , for breath collection and intra-individual variability were also investigated. The developed methodology was then applied to the analysis of children exhaled breath with allergic asthma (35), from which 13 had also allergic rhinitis, and healthy control children (15), allowing to identify 44 volatiles distributed over the chemical families of alkanes (linear and ramified) ketones, aromatic hydrocarbons, aldehydes, acids, among others. Multivariate studies were performed by Partial Least Squares-Discriminant Analysis (PLS-DA) using a set of 28 selected metabolites and discrimination between allergic asthma and control children was attained with a classification rate of 88%. The allergic asthma paediatric population was characterized mainly by the compounds linked to oxidative stress, such as alkanes and aldehydes. Furthermore, more detailed information was achieved combining the volatile metabolic data, suggested by PLS-DA model, and clinical data.

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Section: Introductionmentioning

confidence: 99%

Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology

Caldeira

Barros

Bilelo³

et al. 2011

Journal of Chromatography A

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“…M ore than 30 yrs after PAULING et al [1] described the abundance of volatile organic compounds (VOC) in human breath, regular automated measurement has only been realised for ethanol in the context of trafficrelated toxicology. Other exhaled compounds have attracted attention in a medical context: Ethane and n-pentane were linked to the in vivo level of lipid peroxidation and oxidative stress [2][3][4], breath acetone was shown to correlate with the metabolic state of diabetic patients [5] or mice on a ketogenic diet [6], and a decrease in exhaled isoprene was reported shortly after ozone exposure [7] and in acute pulmonary exacerbations of cystic fibrosis (CF) [8].…”

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confidence: 99%

Volatile organic compounds in the exhaled breath of young patients with cystic fibrosis

Barker

Hengst²,

Schmid³

et al. 2006

Eur Respir J

163

124

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Inflammatory mediators in the exhaled breath are receiving growing medical interest as noninvasive disease markers. Volatile organic compounds have been investigated in this context, but clinical information and methodological standards are limited.The levels of ethane, propane, n-pentane, methanol, ethanol, 2-propanol, acetone, isoprene, benzene, toluene, dimethyl sulphide (DMS) and limonene were measured in repeated breath samples from 20 cystic fibrosis patients and 20 healthy controls (aged 8-29 yrs). Three endexhaled and one ambient air sample were collected per person and analysed on a customised gas chromatography system. Intra-subject coefficients of variation ranged between 9 and 34%, and hydrocarbon breath levels were influenced by their inspired concentrations. The alveolar gradient for pentane was higher in cystic fibrosis patients than in healthy controls (0.36 versus 0.21 ppb) and inversely proportional to forced expiratory volume in one second; highest values were observed in patients with pulmonary exacerbations (0.73 versus 0.24 ppb). Cystic fibrosis patients also exhibited a lower output of DMS (3.9 versus 7.6 ppb). Group differences were not significant for ethane and the remaining substances.It was concluded that chemical breath analysis for volatile organic compounds is feasible and may hold potential for the noninvasive diagnosis and follow-up of inflammatory processes in cystic fibrosis lung disease.

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“…The first paper that could be considered as a real "metabolomics" analysis is the paper from Arthur B. Robinson and Linus Pauling in 1971, dedicated to the analysis of urine vapour and breath metabolites using gas chromatography. In this paper, 250 metabolites were analysed and identified in breath, and 280 in urine vapour [4]. Nevertheless, the first mention of the term "metabolome" in the literature was only in 1998 (as sorted by bibliographic engines) in a paper of S.…”

Section: Introductionmentioning

confidence: 99%

The emergence of metabolomics as a key discipline in the drug discovery process

Fillet

Frédérich

2015

Drug Discovery Today: Technologies

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Quantitative Analysis of Urine Vapor and Breath by Gas-Liquid Partition Chromatography

Cited by 893 publications

References 4 publications

Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology

Profiling allergic asthma volatile metabolic patterns using a headspace-solid phase microextraction/gas chromatography based methodology

Volatile organic compounds in the exhaled breath of young patients with cystic fibrosis

The emergence of metabolomics as a key discipline in the drug discovery process

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