Selected ion flow tube mass spectrometry of 3-hydroxybutyric acid, acetone and other ketones in the headspace of aqueous solution and urine

Španěl, Patrik; Smith, David

doi:10.1016/j.ijms.2008.01.002

Cited by 26 publications

(23 citation statements)

References 30 publications

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“…Recent experiments with smaller diameter and shorter flow tubes have shown that accurate kinetics measurements are possible with much less gas flow, at least near room temperature. 27,28 Those experiments, combined with lessons from the present work, may make it possible to construct a HT-FALP with more conservative gas flow. The Langmuir probe construction is shown schematically in Fig.…”

Section: Methodsmentioning

confidence: 78%

A new instrument for thermal electron attachment at high temperature: NF3 and CH3Cl attachment rate constants up to 1100 K

Miller

Friedman

Williamson

et al. 2009

Review of Scientific Instruments

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A new high temperature flowing afterglow Langmuir probe (HT-FALP) apparatus is described. A movable Langmuir probe and a four-needle reactant gas inlet were fitted to an existing high temperature flowing afterglow apparatus. The instrument is suitable for study of electron attachment from 300-1200 K, the upper limit set to avoid softening of the quartz flow tube. We present results for two reactions over extended ranges: NF(3) (300-900 K) and CH(3)Cl (600-1100 K). Electron attachment rate constants for NF(3) had been measured earlier using our conventional FALP apparatus. Those measurements were repeated with the FALP and then extended to 900 K with the HT-FALP. CH(3)Cl attaches electrons too weakly to study with the low temperature FALP but reaches a value of approximately 10(-9) cm(3) s(-1) at 1100 K. F(-) is produced in NF(3) attachment at all temperatures and Cl(-) in CH(3)Cl attachment, as determined by a quadrupole mass spectrometer at the end of the flow tube. Future modifications to increase the plasma density should allow study of electron-ion recombination at high temperatures.

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Section: Methodsmentioning

confidence: 78%

A new instrument for thermal electron attachment at high temperature: NF3 and CH3Cl attachment rate constants up to 1100 K

Miller

Friedman

Williamson

et al. 2009

Review of Scientific Instruments

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“…The performance of Profile 3 SIFT-MS instruments has been illustrated by the data presented in several research papers produced by the teams at Keele , 2009Smith et al, 2008;Wang et al, 2008a;Wang, Š paněl, & Smith, 2008b;, at Prague (Španěl, Dryahina, & Smith, 2007a,b,c) and at Thunder Bay (Ross & Vermeulen, 2007;Ross, 2008;Hryniuk & Ross, 2009;Ross, Babay, & Ladouceur, 2009;). Scrutiny of these papers reveals the value and the quality of trace gas analyses obtained using current Profile 3 instruments.…”

Section: Performance Of the Profile 3 Instrumentmentioning

confidence: 99%

“…A question often asked is ''can these ketone bodies be detected in urine headspace and in exhaled breath''? Thus we carried out a study of the reactions of three isomers of hydroxybutyric acid (giving special attention to 3-HBA) with H 3 O þ and NO þ ions to acquire the kinetic data required for a SIFT-MS search for 3-HBA in the headspace of urine (Wang, & Smith, 2008b). Then the headspace of acidified urine donated by two healthy volunteers was investigated and 3-HBA was indeed detected typically at levels of 40 ppb, which is much lower than that for acetone seen to be typically 800 ppb, Thus, the 3-HBA concentration in the urine samples was estimated to be about 1-2 mmol/L, which is typical of the urine from healthy individuals.…”

Section: B Urine Headspace Ketone Bodiesmentioning

confidence: 99%

Progress in SIFT‐MS: Breath analysis and other applications

Španěl

Smith

2011

Mass Spectrometry Reviews

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305

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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“…Since its inception in 1996, 1-4 the major focus and rational for the development of selected ion flow tube mass spectrometry, SIFT-MS, has been to realize a technique that can be exploited for on-line, real-time analysis of volatile trace gases of biological origin, especially with breath analysis in mind, 5 but extending to the analysis of trace compounds in the headspace of biological fluids, particularly urine [5][6][7][8][9][10][11][12][13] and blood, and trace compounds emitted by cell [14][15][16] and bacterial [17][18][19][20][21] cultures of potential clinical significance. Much work has now been carried out in these areas, which demonstrates the value and potential of SIFT-MS, as reported in the cited references.…”

Section: Introductionmentioning

confidence: 99%

Recent SIFT-MS Studies of Volatile Compounds in Physiology, Medicine and Cell Biology

Španěl

Smith

2013

Volatile Biomarkers

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Selected ion flow tube mass spectrometry of 3-hydroxybutyric acid, acetone and other ketones in the headspace of aqueous solution and urine

Cited by 26 publications

References 30 publications

A new instrument for thermal electron attachment at high temperature: NF3 and CH3Cl attachment rate constants up to 1100 K

A new instrument for thermal electron attachment at high temperature: NF3 and CH3Cl attachment rate constants up to 1100 K

Progress in SIFT‐MS: Breath analysis and other applications

Recent SIFT-MS Studies of Volatile Compounds in Physiology, Medicine and Cell Biology

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