Determination of the Deuterium Abundances in Water from 156 to 10,000 ppm by SIFT-MS

Španěl, Patrik; Shestivská, Violetta; Chippendale, Thomas W. E.; Smith, David

doi:10.1007/s13361-010-0019-2

Cited by 6 publications

(5 citation statements)

References 25 publications

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“…• H 3 O + : acetone (m/z 59, 77, 95), methanol (m/z 33 and 51 only, avoiding m/z 69 due to overlap with protonated isoprene [29]), formaldehyde (using the special analytical approach established by a previously reported method [30]), water vapour, H 2 O [31] and deuterated water vapour, HDO [32,33].…”

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A quantitative study of the influence of inhaled compounds on their concentrations in exhaled breath

2013

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Throughout the development of breath analysis research, there has been interest in how the concentrations of trace compounds in exhaled breath are related to their concentrations in the ambient inhaled air. In considering this, Phillips introduced the concept of 'alveolar gradient' and judged that the measured exhaled concentrations of volatile organic compounds should be diminished by an amount equal to their concentrations in the inhaled ambient air. The objective of the work described in this paper was to investigate this relationship quantitatively. Thus, experiments have been carried out in which inhaled air was polluted by seven compounds of interest in breath research, as given below, and exhaled breath has been analysed by SIFT-MS as the concentrations of these compounds in the inhaled air were reduced. The interesting result obtained is that all the exogenous compounds are partially retained in the exhaled breath and there are close linear relationships between the exhaled and inhaled air concentrations for all seven compounds. Thus, retention coefficients, a, have been derived for the following compounds: pentane, 0.76 ± 0.09; isoprene, 0.66 ± 0.04; acetone, 0.17 ± 0.03; ammonia, 0.70 ± 0.13, methanol, 0.29 ± 0.02; formaldehyde, 0.06 ± 0.03; deuterated water (HDO), 0.09 ± 0.02. From these data, correction to breath analyses for inhaled concentration can be described by coefficients specific to each compound, which can be close to 1 for hydrocarbons, as applied by Phillips, or around 0.1, meaning that inhaled concentrations of such compounds can essentially be neglected. A further deduction from the experimental data is that under conditions of the inhalation of clean air, the measured exhaled breath concentrations of those compounds should be increased by a factor of 1/(1 - a) to correspond to gaseous equilibrium with the compounds dissolved in the mixed venous blood entering the alveoli. Thus, for isoprene, this is a factor of 3, which we have confirmed experimentally by re-breathing experiments.

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A quantitative study of the influence of inhaled compounds on their concentrations in exhaled breath

2013

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“…The water vapour evolving from natural water or D-enriched water (or that present in exhaled breath) is sampled into the carrier gas where the H Thus, by using the signal level of H 9 18 OO 3 + at m/z = 75 as a reference, the fraction of the isotopologue ions H 9 17 OO 3 + to the total ion signal at m/z = 74 can be calculated and adjusted; then a measurement of the m/z 74/75 ion signal ratio using the downstream mass spectrometer provides the fractional deuterium abundance in the water vapour sample. 194 Correction is made for the differences in evaporation rates of H 2 O and HDO from the liquid water samples that, of course, depend on the water temperature; in the case of breath analysis, the temperature at the lung blood/breath interface (body core temperature) is taken. This new method of D quantification (assay) was proven by careful experiments using standard mixtures of D-enriched water.…”

Section: Principle Of the Flowing Afterglow Mass Spectrometry Fa-ms A...mentioning

confidence: 99%

“…These important considerations have been thoroughly discussed in previous papers. 190,194 An example of the raw data describing the time evolution of the D content of exhaled breath following D 2 O ingestion is shown in Fig. 6b with explanatory notes in the caption.…”

Section: Principle Of the Flowing Afterglow Mass Spectrometry Fa-ms A...mentioning

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SIFT-MS and FA-MS methods for ambient gas phase analysis: developments and applications in the UK

Smith

Španěl

2015

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Selected ion flow tube mass spectrometry, SIFT-MS, a relatively new gas/vapour phase analytical method, is derived from the much earlier selected ion flow tube, SIFT, used for the study of gas phase ion-molecule reactions. Both the SIFT and SIFT-MS techniques were conceived and developed in the UK, the former at Birmingham University, the latter at Keele University along with the complementary flowing afterglow mass spectrometry, FA-MS, technique. The focus of this short review is largely to describe the origins, developments and, most importantly, the unique features of SIFT-MS as an analytical tool for ambient analysis and to indicate its growing use to analyse humid air, especially exhaled breath, its unique place as a on-line, real time analytical method and its growing use and applications as a non-invasive diagnostic in clinical diagnosis and therapeutic monitoring, principally within several UK universities and hospitals, and briefly in the wider world. A few case studies are outlined that show the potential of SIFT-MS and FA-MS in the detection and quantification of metabolites in exhaled breath as a step towards recognising pathophysiology indicative of disease and the presence of bacterial and fungal infection of the airways and lungs. Particular cases include the detection of Pseudomonas aeruginosa infection of the airways of patients with cystic fibrosis (SIFT-MS) and the measurement of total body water in patients with chronic kidney disease (FA-MS). The growing exploitation of SIFT-MS in other areas of research and commerce are briefly listed to show the wide utility of this unique UK-developed analytical method, and future prospects and developments are alluded to.

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“…Whilst isotopic analyses of water vapour can be accurately carried out using SIFT-MS [141,142], in order to facilitate such analyses in a point-ofcare setting, a similar yet simplified and lower cost method called flowing afterglow mass spectrometry, FA-MS, has been developed [44,143]. This exploits an FA plasma to ionise water vapour present in a sample of (partially deuterated) exhaled water vapour or in aqueous liquid headspace (for example of urine or blood) that is introduced directly into the afterglow plasma.…”

Section: Sift-msmentioning

confidence: 99%

The SIFT and FALP techniques; applications to ionic and electronic reactions studies and their evolution to the SIFT-MS and FA-MS analytical methods

Smith

Španěl

2015

International Journal of Mass Spectrometry

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Abstract.Flow tube reactors coupled with quantitative mass spectrometry have made, and continue to make, major contributions to gas phase ion-molecule chemistry, to recombination and electron attachment studies and, most recently, to gas phase trace gas analysis. This paper briefly reviews the concepts and principles of operation of flowing afterglow, FA, and flowing afterglow Langmuir probe, FALP, plasma reactors, and selected ion flow tube, SIFT, ion swarm reactors for the study of the above processes. This paved the way to our recent developments of the novel analytical methods that we call selected ion flow tube mass spectrometry, SIFT-MS, and flowing afterglow mass spectrometry, FA-MS. A time line of these developments during the last fifty years is presented. It is shown how exploitation of FA and SIFT has provided the essential kinetics data that allow modelling of the ion chemistry of naturally occurring plasmas, especially the terrestrial ionosphere and interstellar gas clouds, and has greatly facilitated the developments and evolution of SIFT-MS and FA-MS, which are contributing to the science of ambient trace gas analysis. The wide ranging applications of SIFT-MS are alluded to whilst focusing on the successful direct real time quantitative analysis of volatile metabolites in exhaled breath forcibly demonstrating the unique analytical features of SIFT-MS.

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Determination of the Deuterium Abundances in Water from 156 to 10,000 ppm by SIFT-MS

Cited by 6 publications

References 25 publications

A quantitative study of the influence of inhaled compounds on their concentrations in exhaled breath

A quantitative study of the influence of inhaled compounds on their concentrations in exhaled breath

SIFT-MS and FA-MS methods for ambient gas phase analysis: developments and applications in the UK

The SIFT and FALP techniques; applications to ionic and electronic reactions studies and their evolution to the SIFT-MS and FA-MS analytical methods

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