The analysis of 1‐propanol and 2‐propanol in humid air samples using selected ion flow tube mass spectrometry

Carroll, Will; Lenny, Warren; Boit, Phillipa; Smith, David

doi:10.1002/rcm.2285

Cited by 24 publications

(23 citation statements)

References 48 publications

(69 reference statements)

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“…Previous reports have linked dimethyl sulfide and isoprene to cystic fibrosis and respiratory exacerbation (Barker et al, 2006;Kamboures et al 2005;McGrath et al, 2000). However, the present results indicate no significant difference between dimethyl sulfide and isoprene in the cystic fibrosis ( (Wang et al, 2006;Enderby et al, 2009). Throughout this trial the signals in the corresponding mass channels never exceeded ambient levels in line with no identified P. aeruginosa infection.…”

Section: Direct Ptr-tof-ms Applied To Fingerprinting Breathcontrasting

confidence: 46%

Real-time multi-marker measurement of organic compounds in human breath: towards fingerprinting breath

et al. 2013

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Abstract. The prospects for exploiting Proton Transfer Reaction-Time of Flight-Mass Spectrometry(PTR-ToF-MS) in medical diagnostics are illustrated through a series of case studies. Measurements of acetone levels in the breath of 68 healthy people are presented along with a longitudinal study of a single person over a period of one month. The median acetone concentration across the population was 484 ppbV with a geometric standard deviation (GSD) of 1.6, whilst the average GSD during the single subject longtitudinal study was 1.5. An additional case study is presented which highlights the potential of PTR-ToF-MS in pharmacokinetic studies, based upon the analysis of online breath samples of a person following the consumption of ethanol. PTR-ToF-MS comes into its own when information across a wide mass range is required, particularly when such information must be gathered in a short time during a breathing cycle. To illustrate this property, multicomponent breath analysis in a small study of cystic fibrosis patients is detailed, which provides tentative evidence that online PTR-ToF-MS analysis of tidal breath can distinguish between active infection and non-infected patients.2

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Section: Direct Ptr-tof-ms Applied To Fingerprinting Breathcontrasting

confidence: 46%

Real-time multi-marker measurement of organic compounds in human breath: towards fingerprinting breath

et al. 2013

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“…2-Propanol, an enzyme-mediated product of reduction of acetone, was demonstrated in a breath sample from one patient with CF infected with Pseudomonas aeruginosa 31. We speculate that the elevated EBC ethanol concentrations in patients with CF may be related to the reduced capacity of Pseudomonas aeruginosa to oxidise ethanol to acetate,32 whereas the elevated EBC 2-propanol concentration might be due to bacterial metabolism and/or increased lipolysis and lipid peroxidation 31. Elevated EBC acetate concentrations in healthy subjects could reflect metabolism of oral resident bacteria such as Streptococcus mutans , which degrades pyruvate into end products of metabolism including acetate and lactate 33…”

Section: Discussionmentioning

confidence: 98%

“…Using 1 H-NMR, acetone was detected in the bronchoalveolar lavage fluid of children with CF with varying levels of inflammation 13. 2-Propanol, an enzyme-mediated product of reduction of acetone, was demonstrated in a breath sample from one patient with CF infected with Pseudomonas aeruginosa 31. We speculate that the elevated EBC ethanol concentrations in patients with CF may be related to the reduced capacity of Pseudomonas aeruginosa to oxidise ethanol to acetate,32 whereas the elevated EBC 2-propanol concentration might be due to bacterial metabolism and/or increased lipolysis and lipid peroxidation 31.…”

Section: Discussionmentioning

confidence: 99%

NMR spectroscopy metabolomic profiling of exhaled breath condensate in patients with stable and unstable cystic fibrosis

Montuschi

Paris²,

Melck³

et al. 2011

Thorax

144

129

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Background Metabolomics could provide new insights into the pathophysiology of cystic fibrosis (CF) by identifying profiles of endogenous metabolites. Objectives To investigate whether metabolomics of exhaled breath condensate could discriminate between patients with unstable CF, stable CF and healthy subjects, and whether selected metabolites were responsible for between-group differences. Methods Twenty-nine patients with stable CF, 24 with unstable CF and 31 healthy subjects (age 9e24 years) participated in a cross-sectional study. Metabolomics was performed with high-resolution nuclear magnetic resonance spectroscopy. Partial least squaresdiscriminant analysis was used as classifier. The results were validated in a second independent study. Results Intraclass correlation coefficients for betweenday and technical repeatability were 0.93 and 0.96, respectively. BlandeAltman analysis showed good within-day repeatability. Correct classification rate of CF (n¼53) vs healthy subjects (n¼31) was 96% (R 2 ¼0.84; Q 2 ¼0.79). Model validation with a testing sample set obtained from subjects not included in the primary analysis (23 CF and 25 healthy subjects) showed a sensitivity of 91% and a specificity of 96%. The classification rate of stable CF (n¼29) vs unstable CF patients (n¼24) was 95% (R 2 ¼0.82; Q 2 ¼0.78). Model external validation in 14 patients with stable CF and 16 with unstable CF showed a sensitivity of 86% and a specificity of 94%. Ethanol, acetate, 2-propanol and acetone were most discriminant between patients with CF and healthy subjects, whereas acetate, ethanol, 2-propanol and methanol were the most important metabolites for discriminating between patients with stable and unstable CF. Conclusions Nuclear magnetic resonance spectroscopy of exhaled breath condensate is reproducible, discriminates patients with CF from healthy subjects and patients with unstable CF from those with stable CF, and identifies the metabolites responsible for between-group differences.

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“…To investigate this, a study has been made ) of the ion chemistry of H 3 O þ and NO þ with the propanol isomers, acetic acid and methyl formate under varying conditions of sample humidity up to that of exhaled breath (6% by volume). The problems involved in the separate analysis of propanol had been met and solved by previous SIFT-MS studies (Š paněl & Smith, 1997;Wang et al, 2006) and now the study by Pysanenko, Š paněl, and Smith (2009) revealed how acetic acid and methyl formate can be separately identified in a humid mixture using NO þ precursor ions. Following this work, the kinetics library for the SIFT-MS analyses of these compounds in breath was constructed and the analysis of the exhaled breath of five healthy volunteers showed that acetic acid was present at levels typically within the range from 30 to 50 ppb and that methyl formate was not present above the detection limit.…”

Section: Recent Extensions To Sift-msmentioning

confidence: 98%

Progress in SIFT‐MS: Breath analysis and other applications

Španěl

Smith

2011

Mass Spectrometry Reviews

Self Cite

309

255

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The development of selected ion flow tube mass spectrometry, SIFT-MS, is described from its inception as the modified very large SIFT instruments used to demonstrate the feasibility of SIFT-MS as an analytical technique, towards the smaller but bulky transportable instruments and finally to the current smallest Profile 3 instruments that have been located in various places, including hospitals and schools to obtain on-line breath analyses. The essential physics and engineering principles are discussed, which must be appreciated to design and construct a SIFT-MS instrument. The versatility and sensitivity of the Profile 3 instrument is illustrated by typical mass spectra obtained using the three precursor ions H(3)O(+), NO(+) and O(2)(+)·, and the need to account for differential ionic diffusion and mass discrimination in the analytical algorithms is emphasized to obtain accurate trace gas analyses. The performance of the Profile 3 instrument is illustrated by the results of several pilot studies, including (i) on-line real time quantification of several breath metabolites for cohorts of healthy adults and children, which have provided representative concentration/population distributions, and the comparative analyses of breath exhaled via the mouth and nose that identify systemic and orally-generated compounds, (ii) the enhancement of breath metabolites by drug ingestion, (iii) the identification of HCN as a marker of Pseudomonas colonization of the airways and (iv) emission of volatile compounds from urine, especially ketone bodies, and from skin. Some very recent developments are discussed, including the quantification of carbon dioxide in breath and the combination of SIFT-MS with GC and ATD, and their significance. Finally, prospects for future SIFT-MS developments are alluded to.

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The analysis of 1‐propanol and 2‐propanol in humid air samples using selected ion flow tube mass spectrometry

Cited by 24 publications

References 48 publications

Real-time multi-marker measurement of organic compounds in human breath: towards fingerprinting breath

Real-time multi-marker measurement of organic compounds in human breath: towards fingerprinting breath

NMR spectroscopy metabolomic profiling of exhaled breath condensate in patients with stable and unstable cystic fibrosis

Progress in SIFT‐MS: Breath analysis and other applications

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