ISTM

ISTM Research themes: 1. Clinical & Diagnostic Science - Breath Analysis Group
2. Bioengineering & Therapeutics

Research Interests:

Physics and chemistry of ionised gases with special reference to ion-molecule reaction.

Development of analytical instruments that exploit gas phase ionic reactions for the analysis of trace gases in air (for environmental monitoring) and breath analysis (for non-invasive clinical diagnosis and therapeutic monitoring).

Current Projects include:

(i) Quantification of metabolites in breath of patients with end-stage renal failure, pre- and post-dialysis.
(ii). Determination of total body water by measuring the deuterium content of single breath exhalations following ingestion of D2O.
(iii). Identifying and quantifying metabolites emitted by tumour cells, both in vivo and in vitro.

Selected Ion Flow Tube Mass Spectrometry, SIFT-MS

 

Schematic diagram of selected ion flow tube (SIFT) apparatus.

SIFT-MS has been designed and constructed to allow on-line, real time analyses of the trace gases in ambient (polluted) air, exhaled breath and the headspace of aqueous liquids. The SIFT-MS analytical method combines fast flow tube techniques and quantitative mass spectrometry. The air/breath/headspace sample is introduced into fast flowing helium carrier gas where the trace gases in the sample react with embedded reagent ions (H₃O⁺, NO⁺ or O₂⁺) to produce characteristic product ions that identify the trace gases, and accurate quantification is achieved from knowledge of the kinetics of the ion/trace gas molecule reactions. Unlike other analytical techniques, an important feature of SIFT-MS analyses is that sample collection into bags or onto traps are not required, which can compromise the sample, and time consuming calibration is unnecessary. This allows the direct analysis of single exhalations of breath and provides the scientist/clinician with immediate results. Rapid non-invasive analyses of breath can now be routinely performed in the clinical environment with minimal stress to the patients, which is new route to clinical diagnosis and therapeutic monitoring.

Flowing Afterglow Mass Spectrometry (FA-MS)

 

The principle of the FA-MS technique is similar to that of SIFT-MS in that it exploits ion chemistry coupled with fast flow tube techniques and quantitative mass spectrometry. However, FA-MS is specifically used for the on-line determination of the deuterium content of water vapour in exhaled breath and the vapour above aqueous liquids. Thus, for example, the deuterium content of single breath exhalations can be measured following the ingestion of a small known amount of deuterium oxide when, following the principle of isotope dilution, the total body water of the subject can be obtained, which is proving to be particularly useful in nephrology.
 

"Meeting the Canine Challenge to Cancer Detection", news article in Spectroscopy Now, 15 July 2004. Click here to link to the page.

"Sifting through Breath for Cyanide", news article in Spectroscopy Now, 15 March 2005. Click here to link to the page.

Selected Journal Publications

(Prof David Smith has published some 350 research and review papers, including approx 90 since 2001. Below is a comprehensive set of references from 2006 onwards and a selection from 2001-05).
David Smith, Patrik Špan?l, Beth Enderby, Warren Lenney, Claire Turner and Simon J Davies
Isoprene levels in the exhaled breath of 200 healthy pupils within the age range 7–18 years studied using SIFT-MS
J. Breath Res. 4 (2010) 017101 (7pp)

Beth Enderby, David Smith, W Carroll and W Lenney
Hydrogen Cyanide as a Biomarker for Pseudomonas Aeruginosa in the Breath of Children With Cystic Fibrosis.
Pediatric Pulmonology 44 (2009) 142–147

Cian Chan, Christopher McIntyre, David Smith, Patrik Špan?l, and Simon J. Davies
Combining Near-Subject Absolute and Relative Measures of Longitudinal Hydration in Hemodialysis
Clin J Am Soc Nephrol 4 (2009) 1791–1798

Josep Sule-Suso, Andriy Pysanenko, Patrik Špan?l and David Smith
Quantification of acetaldehyde and carbon dioxide in the headspace of malignant and non-malignant lung cells in vitro by SIFT-MS
Analyst 134 (2009) 2419–2425

K. Dryahina, F. Pehal, D. Smith, P. Špan?l
Quantification of methylamine in the headspace of ethanol of agricultural origin by selected ion flow tube mass spectrometry
International Journal of Mass Spectrometry 286 (2009) 1–6

Andriy Pysanenko, Patrik Špan?l, David Smith
Analysis of the isobaric compounds propanol, acetic acid and methyl formate in humid air and breath by selected ion flow tube mass spectrometry, SIFT-MS
International Journal of Mass Spectrometry 285 (2009) 42-48

B Enderby,W Lenney, M Brady, C Emmett, P Špan?l, D Smith
Concentrations of some metabolites in the breath of healthy children aged 7–18 years measured using selected ion flow tube mass spectrometry (SIFT-MS)
J. Breath Res. 3 (2009) 036001 (11pp)

David Smith, Andriy Pysanenko, Patrik Špan?l
The quantification of carbon dioxide in humid air and exhaled breath by selected ion flow tube mass spectrometry
Rapid Commun. Mass Spectrom. 23 (2009) 1419–1425

Andriy Pysanenko, Tianshu Wang, Patrik Špan?l and David Smith
Acetone, butanone, pentanone, hexanone and heptanone in the headspace of aqueous solution and urine studied by selected ion flow tube mass spectrometry
Rapid Commun. Mass Spectrom. 23 (2009) 1097-1104

David Smith, Andriy Pysanenko, Patrik Špan?l
Ionic diffusion and mass discrimination effects in the new generation of short flow tube SIFT-MS instruments
International Journal of Mass Spectrometry 281 (2009) 15-23

Patrik Špan?l, David Smith
Influence of weakly bound adduct ions on breath trace gas analysis by selected ion flow tube mass spectrometry (SIFT-MS)
International Journal of Mass Spectrometry 280 (2009) 128-13

Chan C, Smith D, Spanel P, McIntyre CW, Davies SJ
A non-invasive, on-line deuterium dilution technique for the measurement of total body water in haemodialysis patients
Nephrol Dial Transpl 23 (2008) 6 2064-2070 June 2008

A Pysanenko, P Špan?l, D Smith
A study of sulfur-containing compounds in mouth- and nose-exhaled breath and in the oral cavity using selected ion flow tube mass spectrometry
J. Breath Res. 2 (2008) 046004 (13pp)

Roger N. Bloor, Tianshu S. Wang, Patrik Špan?l,  David Smith
Ammonia release from heated ‘street’ cannabis leaf and its potential toxic effects on cannabis users
Addiction 103 (2008) 1671–1677

Patrik Špan?l and David Smith
Quantification of trace levels of the potential cancer biomarkers formaldehyde, acetaldehyde and propanol in breath by SIFT-MS
Journal of Breath Research 2  (2008) 046003

Tianshu Wang, Andriy Pysanenko, Kseniya Dryahina, Patrik Špan?l, David Smith
Analysis of breath, exhaled via the mouth and nose, and the air in the oral cavity
Journal of Breath Research 2  (2008) 037013 (13pp)

Tianshu Wang, Patrik Špan?l, David Smith
Selected ion flow tube mass spectrometry of 3-hydroxybutyric acid, acetone and other ketones in the headspace of aqueous solution and urine
International Journal of Mass Spectrometry 272 (2008) 78–85

Cian Chan, David Smith, Patrik Špan?l, Christopher W. McIntyre and Simon J. Davies
A non-invasive, on-line deuterium dilution technique for the measurement of total body water in haemodialysis patients
Nephrol Dial Transplant 23 (2008) 2064-2070.

Jane M. Van Doren, Thomas M. Miller, Albert A. Viggiano, Patrik Špan?l, David Smith, Joseph C. Bopp, and Jürgen Troe
Experimental and theoretical investigation of electron attachment to SF5Cl
J. Chem. Phys. 128  (2008) 094309.

Ievgeniia Kushch, Konrad Schwarz, Lukas Schwentner, Bettina Baumann, Alexander Dzien, Alex Schmid, Karl Unterkofler, Gunter Gastl, Patrik Špan?l, David Smith and Anton Amann
Compounds enhanced in a mass spectrometric profile of smokers’ exhaled breath versus non-smokers as determined in a pilot study using PTR-MS
Journal of Breath Research 2  (2008)  026002 (26pp).

David Smith, Tianshu Wang, Andriy Pysanenko and Patrik Špan?l
A selected ion flow tube mass spectrometry study of ammonia in mouth- and nose-exhaled breath and in the oral cavity
Rapid Commun. Mass Spectrom. 22  (2008)  783–789.

Claire Turner, Bhavin Parekh, Christopher Walton, Patrik Špan?l, David Smith and Mark Evans
An exploratory comparative study of volatile compounds in exhaled breath and emitted by skin using selected ion flow tube mass spectrometry
Rapid Commun. Mass Spectrom. 22  (2008)  526–532.

Patrik Špan?l, and David Smith
Selected ion flow tube mass spectrometry for on-line trace gas analysis in biology and medicine
European Journal of Mass Spectrometry 13 (2007) 77-82

Patrik Špan?l, Kseniya Dryahina and David Smith
The concentration distributions of some metabolites in the exhaled breath of young adults
Journal of Breath Research 1 (2007) 026001 (8pp)

David Smith, Claire Turner and Patrik Špan?l
Volatile metabolites in the exhaled breath of healthy volunteers: their levels and distributions
Journal of Breath Research 1 (2007) 014004  (12pp)

Patrik Špan?l, Kseniya Dryahina and David Smith
Acetone, ammonia and hydrogen cyanide in exhaled breath of several volunteers aged 4–83 years
Journal of Breath Research 1 (2007) 011001 (4pp)

Patrik Špan?l, Kseniya Dryahina and David Smith
Microwave plasma ion sources for selected ion flow tube mass spectrometry: Optimizing their performance and detection limits for trace gas analysis
International Journal of Mass Spectrometry 267 (2007) 117-124.

David Smith, Patrik Špan?l
The challenge of breath analysis for clinical diagnosis and therapeutic monitoring
The Analyst, 132 (2007) 390-396

Anton Amann, Patrik Špan?l, David Smith
Breath Analysis: The approach towards clinical applications
Mini Reviews in Medicinal Chemistry, 7 (2007) 115-129

Bloor, RN; Špan?l, P; Smith, D
Quantification of breath carbon disulphide and acetone following a single dose of disulfiram (Antabuse) using selected ion flow tube mass spectrometry (SIFT-MS)
Addiction Biology, 11 (2006) 163-169

David Smith, Khaled M. K. Ismail, Ann M. Diskin, Gail Chapman, Julia L. Magnay, Patrik Špan?l, Shaughn O’Brien
Increase of acetone emitted by urine in relation to ovulation
Acta Obstetricia et Gynecologica. 85 (2006) 1008-1011.

Claire Turner Patrik Španel and David Smith
A longitudinal study methanol in the exhaled breath of 30 subjects using selected ion flow tube mass spectrometry, SIFT-MS
Physiological Measurement 27 (2006) 637–648.

David Smith, Tianshu Wang, Patrik Španel and Roger Bloor
The increase of breath ammonia induced by niacin ingestion quantified by selected ion flow tube mass spectrometry
Physiological Measurement 27 (2006) 437–444.

Claire Turner Patrik Spanel and David Smith
A longitudinal study of ammonia, acetone and propanol in the exhaled breath of 30 subjects using selected ion flow tube mass spectrometry, SIFT-MS
Physiological Measurement 27 (2006) 321-337

Patrik Spanel, Kseniya Dryahina, and David Smith
A general method for the calculation of absolute trace gas concentrations in air and breath from selected ion flow tube mass spectrometry data.
International Journal of Mass Spectrometry 249/250 (2006) 230-239 

Patrik Span?l, Claire Turner, Tianshu Wang, Roger Bloor and David Smith
Generation of volatile compounds on mouth exposure to urea and sucrose: implications for exhaled breath analysis.
Physiological Measurement 27 (2006) N7-N17

Asghar, RB; Diskin, AM; Spanel, P; Smith, D; Davies, SJ.
Influence of convection on the diffusive transport and sieving of water and small solutes across the peritoneal membrane.
Journal of the American Society Of Nephrology, 16 (2005): 437-443

David Smith, Patrik Span?l
Selected ion flow tube mass spectrometry (SIFT-MS) for on-line trace gas analysis.
Mass Spectrometry Reviews 24 (2005) 661- 700.

David Smith, Patrik Span?l, David Dabill, John Cocker, Bob Rajan
On-line analysis of diesel engine exhaust gases by selected ion flow tube mass spectrometry.
Rapid Communications in Mass Spectrometry 18 (2004) 2830-2838

Patrik Span?l, David Smith
Selected ion flow tube mass spectrometry (SIFT-MS) and flowing afterglow mass spectrometry (FA-MS) for the determination of the deuterium abundance in water vapour.
in Pier A. de Groot (ed.) Handbook of Stable Isotope Analytical Techniques (2004), Elsevier, 88-102 [ISBN: 0-444-51114-8].

Ramzana B. Asghar, Ann M. Diskin, Patrik Span?l, David Smith, Simon Davies
Measuring transport of water across the peritoneal membrane.
Kidney International 64 (2003) 1911-1915.

Sian M. Abbott, James B. elder, Patrik Span?l, David Smith
Quantification of acetonitrile in exhaled breath and urinary headspace using selected ion flow tube mass spectrometry.
International Journal of Mass Spectrometry 228 (2003) 655-665

David Smith, Tianshu Wang, Josep Sule-Suso, Patrik Span?l, Alicia el Haj
Quantification of acetaldehyde released by lung cancer cells in vitro using selected ion flow tube mass spectrometry. 
Rapid Communications in Mass Spectrometry 17, (2003), 845-850.

Patrik Span?l, Ann M. Diskin, Sian M. Abbott, Tianshu Wang, David Smith
Quantification of volatile compounds in the headspace of aqueous liquids using selected ion flow tube mass spectrometry.
Rapid Communications in Mass Spectrometry 16, (2002), 2148-2153

Ann M. Diskin, Patrik Span?l P, David Smith
Increase of acetone and ammonia in urine headspace and breath during ovulation quantified using selected ion flow tube mass spectrometry.
Physiological Measurement 24, (2003), 191-199.

D. Smith, T. Wang and P. Span?l
Kinetics and isotope patterns of ethanol and acetaldehyde emissions from yeast fermentations of glucose and glucose-6,6-d2 using selected ion flow tube mass spectrometry: a case study.
Rapid Communications in Mass Spectrometry 16, (2002), 69-76

P. Span?l, D. Smith
On-line measurement of the absolute humidity of air, breath and liquid headspace samples by selected ion flow tube mass spectrometry.
Rapid Communications in Mass Spectrometry 15, (2001), 563-569 (...read the paper online here).

Reference Book

A. Amman and D. Smith (Editors), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. ISBN 981-256-284-2