Bibliography

The bibliography is divided into four major sections:

1. Introductory level articles and reviews

3. Kinetics measurements for analytical applications of SIFT-MS

4. Clinical, Veterinary and Microbial Applications

Click on the subject menu above to go directly to the section of interest.

If the content of an article is relevant to several sections, then the article is listed in each of those sections.

1. Introductory Articles and Reviews

Rapid analysis of trace gases in complex mixtures using Selected Ion Flow Tube Mass Spectrometry. C.G. Freeman and M.J. McEwan. Australian Journal of Chemistry, 55 (2002), 491-494.

2. Principles of Operation

This section lists articles on the operational principles of SIFT-MS (and its flowing afterglow (FA) predecessor) and those that describe important considerations for its use in quantitative analysis. The most important articles are indicated by the bold typeface.

a. Reviews and book chapters

Selected ion flow tube mass spectrometry (SIFT-MS) for on-line trace gas analysis. D. Smith and P. Spanel. Mass Spectrometry Reviews, 24 (2005), 661-700.

SIFT applications in mass spectrometry. D. Smith and P. Spanel. in Encyclopedia of Spectroscopy and Spectrometry, Mass Spectrometry, Ed. by J. Lindon, G. Trantner and J. Holmes, Academic Press, London, 1999. pp. 2092-2105.

The Selected Ion Flow Tube; a Novel Technique for the Quantitative Trace Gas Analysis of Air and Human Breath. P. Spanel and D. Smith. Med. Biol. Eng. Comput., 34 (1996), 409-419.

The novel SIFT approach to trace gas analysis of air and breath. D. Smith and P. Spanel. Rapid Communications in Mass Spectrometry, 10 (1996), 1183.

Application of Ion Chemistry and the SIFT Technique to the Quantitative Analysis of Trace Gases in Air and on Breath. P. Spanel and D. Smith. Int. Rev. Phys. Chem., 15 (1996), 231-271.

Flowing afterglow and SIFT. N.G. Adams and D. Smith. In Techniques of Chemistry, Volume 20: Techniques for the Study of Ion Molecule Reactions. Ed. J.M. Farrar and W.H. Saunders, J. Wiley and Sons (1988), 165-220.

Flowing afterglow measurements of ion-neutral reactions. E.E. Fergusson, F.C. Fehsenfeld and A.L. Schmeltekopf. Advances in Atomic and Molecular Physics, 5 (1969), 1-56.

b. Research Articles

A convenient method for calculation of ionic diffusion coefficients for accurate selected ion flow tube mass spectrometry, SIFT-MS. K. Dryahina and P.Spanel. International Journal of Mass Spectrometry, 244 (2005), 148-154.

A directly coupled monolithic rectangular resonator forming a robust microwave plasma ion source for SIFT-MS. P. Spanel, E.F.H. Hall, C.T. Workman and D. Smith. Plasma Sources Science and Technology, 13 (2004), 282-284.

Quantification of volatile compounds in the headspace of aqueous liquids using selected ion flow tube mass spectrometry. P. Spanel, A.M. Diskin, S.M. Abbott, T. Wang and D. Smith. Rapid Communications in Mass Spectrometry, 16 (2002), 2148-2153.

Ion Formation in Microwave Discharge through Moist Air. P. Cheng, H.M. Wang, J.Q. Li, W.J. Zhang, Y.F. Ji, Z.Y. Wang, L.S. Sheng, P. Spanel, D. Smith, D.Z. Cao and Y.N. Chu. Acta Physico-Chimica Sinica, 18 (2002), 232-236.

Concurrent use of H3O+, NO+ and O2+ precursor ions for the detection and quantification of diverse trace gases in the presence of air and breath by selected ion flow tube mass spectrometry. D. Smith, A.M. Diskin, Y.F. Ji and P. Spanel. International Journal of Mass Spectrometry. 209 (2001), 81-97.

Quantitative selected ion flow tube mass spectrometry: the influence of ionic diffusion and mass discrimination. P. Spanel and D. Smith. Journal of American Society of Mass Spectrometry, 12 (2001), 863-872.

Influence of water vapour on SIFT-MS analyses of trace gases in humid air and breath. P. Spanel and D. Smith. Rapid Communications in Mass Spectrometry, 14 (2000), 1898-1906.

A flowing afterglow selected ion flow tube (FA/SIFT) comparison of SIFT injector flanges and H3+ + N revisited. D.B. Milligan, D.A. Fairley, C.G. Freeman and M.J. McEwan. International Journal of Mass Spectrometry, 202 (2000), 351-361.

3. Kinetics measurements for analytical applications of SIFT-MS

This section lists references where SIFT-MS kinetic data are published for reactions used in trace gas analysis (that is, reactions of the H3O+, NO+ and O2+ precursors).

a. Compilations of Data

An Index of the Literature for Bimolecular Gas Phase Cation-Molecule Reaction Kinetics. Vincent G. Anicich. JPL Publication 03-19, NASA Jet Propulsion Laboratory, California Institute of Technology (November 2003), and references cited therein.

Evaluated bimolecular ion molecule gas phase kinetics of positive ions for use in modeling the chemistry of planetary atmospheres, cometary comae, and interstellar clouds. V.G. Anicich. Journal of Physical and Chemical Reference Data. 22 (1994), 1469-1569.

b. Research Articles

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with some phenols, phenyl alcohols and cyclic carbonyl compounds in support of SIFT-MS and PTR-MS. T. Wang, P. Spanel and D. Smith. International Journal of Mass Spectrometry, 239 (2004), 139-146.

A selected ion flow tube, SIFT, study of the ion chemistry of H3O+, NO+ and O2+ ions with several nitroalkanes in the presence of water vapour. K. Dryahina, M. Polasek and P. Spanel. International Journal of Mass Spectrometry. 239 (2004), 57-65.

A selected ion flow tube, SIFT, study of the reactions of H3O+, NO+ and O2+ ions with several N- and O-containing heterocyclic compounds in support of SIFT-MS. T. Wang, P. Spanel and D. Smith. International Journal of Mass Spectrometry. 237 (2004), 167-174.

Quantification of hydrogen cyanide in humid air by selected ion flow tube mass spectrometry. P. Spanel, T. Wang and D. Smith. Rapid Communications in Mass Spectrometry, 18 (2004), 1869-1873.

A SIFT study of the reactions of H2O.NO+ ions with several types of organic molecules. D. Smith, T. Wang and P. Spanel. International Journal of Mass Spectrometry, 230 (2003), 1-9.

Analysis of ketones by selected ion flow tube mass spectrometry. D. Smith, T. Wang and P. Spanel. Rapid Communications in Mass Spectrometry, 17 (2003), 2655-2660.

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with a series of monoterpenes. N. Schoon, C. Amelynck, L. Vereecken, E. Arijs. International Journal of Mass Spectrometry, 229 (2003), 231-240.

Reactions of small hydrocarbons with H3O+, O2+ and NO+ ions. P.F. Wilson, C.G. Freeman and M.J. McEwan. International Journal of Mass Spectrometry, 229 (2003), 143-149.

Selected Ion Flow Tube, SIFT, studies of the reactions of H3O+, NO+ and O2+ with eleven C10H16 monoterpenes. T. Wang, P. Spanel and D. Smith. International Journal of Mass Spectrometry, 228 (2003), 117-126.

A SIFT study of the reactions of H3O+, NO+ and O2+ with hydrogen peroxide and peroxyacetic acid. P. Spanel, A.M. Diskin, T. Wang and D. Smith. International Journal of Mass Spectrometry, 228 (2003), 269-283.

Reactions of H3O+ with a number of bromine containing fully and partially halogenated hydrocarbons. R.A. Kennedy, C.A. Mayhew, R. Thomas, P. Watts. International Journal of Mass Spectrometry, 223/224 (2003), 627-637.

Reactions of O2+, NO+ and H3O+ with methylcyclohexane (C7H14) and cyclooctane (C8H16) from 298 to 700 K. A.J. Midey, S. Williams, T.M. Miller and A.A. Viggiano. International Journal of Mass Spectrometry, 222 (2003), 413-430.

Selected ion flow tube studies of the reactions of H3O+, NO+ and O2+ with the anaesthetic gases halothane, isoflurane and sevoflurane. T. Wang, D. Smith and P. Spanel. Rapid Communications in Mass Spectrometry, 16 (2002), 1860-1870.

Reactions of CH3OCH2+ with hydrocarbons and O, N, and S compounds: applications for chemical ionization in selected ion flow tube studies. P.F. Wilson, D.B. Milligan, L.W. Lam, C.G. Freeman, M.N. Meot-Ner, M.J. McEwan. Journal of the American Society for Mass Spectrometry. 13 (2002), 1028-1033.

Reactions of H3O+(H2O)n with alkylbenzenes from 298 to 1200 K. A.J. Midey, S. Williams, S.T. Arnold and A.A. Viggiano. J. Phys. Chem. A, 106 (2002), 11726-11738.

Dissociative proton transfer reactions of H3+, N2H+ and H3O+ with acyclic, cyclic, and aromatic hydrocarbons and nitrogen compounds, and astrochemical implications. D.B. Milligan, P.F. Wilson, C.G. Freeman, M. Meot-Ner, M.J. McEwan. J. Phys. Chem. A, 106 (2002), 9745-9755.

A selected ion flow tube, SIFT, study of the reactions of H3O+, NO+ and O2+ ions with a series of diols. P. Spanel, T. Wang and D. Smith. International Journal of Mass Spectrometry, 218 (2002), 227-236.

A selected ion flow tube (SIFT), study of the reactions of H3O+, NO+ and O2+ ions with a series of alkenes; in support of SIFT-MS. A.M. Diskin, T. Wang, D. Smith and P. Spanel. International Journal of Mass Spectrometry, 218 (2002), 87-101.

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with saturated and unsaturated aldehydes and subsequent hydration of the product ions. P. Spanel, J.M. Van Doren and D. Smith. International Journal of Mass Spectrometry, 21 (2002), 163-176.

Reactions of NO+ with isomeric butanes from 225 to 500 K. A.J. Midey, S. Williams and A.A. Viggiano. J. Phys. Chem. A, 105 (2001), 1574-1578.

Accuracy and precision of flowing afterglow mass spectrometry for the determination of the deuterium abundance in the headspace of aqueous liquids and exhaled breath water. P. Spanel and D. Smith. Rapid Communications in Mass Spectrometry, 15 (2001), 867-872.

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

On-line determination of the deuterium abundance in breath water vapour by flowing afterglow mass spectrometry, FA-MS, with applications to measurements of total body water. D. Smith and P. Spanel. Rapid Communications in Mass Spectrometry, 15 (2001), 25-32.

Reactions of H3O+(H2O)n with formaldehyde and acetaldehyde. A.J. Midey, S.T. Arnold and A.A. Viggiano. J. Phys. Chem. A, 104 (2000), 2706-2709.

Selected ion flow tube mass spectrometry analyses of stable isotopes in water: Isotopic composition of H3O+ and H3O+(H2O)3 ions in exchange reactions with water vapor. P. Spanel and D. Smith. Journal of American Society for Mass Spectrometry, 11 (2000), 866-875.

Rate constants and branching ratios for the reactions of various positive ions with naphthalene from 300 to 1400 K. A.J. Midey, S. Williams, S.T. Arnold, I. Dotan, R.A. Morris and A.A. Viggiano. Int. J. Mass Spectrom., 195/196 (2000), 327-329.

Quantification of hydrogen sulphide in humid air by selected ion flow tube mass spectrometry, SIFT-MS. P. Spanel and D. Smith. Rapid Communications in Mass Spectrometry, 14 (2000), 1136-1140.

An investigation of the reactions of H3O+ and O2+ with NO, NO2, N2O and HNO2 in support of selected ion flow tube mass spectrometry. P. Spanel and D. Smith. Rapid Communications in Mass Spectrometry, 14 (2000), 646-651.

Competitive association and charge transfer in the reactions of NO+ with some ketones: a SIFDT study. D.A. Fairley, D.B. Milligan, C.G. Freeman, M.J. McEwan, P.Spanel and D. Smith. Int. J. Mass Spectrom., 193 (1999), 35-43.

SIFT studies of the reactions of H3O+, NO+ and O2+ with several aromatic and aliphatic monosubstituted halocarbons. P. Spanel and D. Smith. Int. J. Mass Spectrom., 189 (1999), 213-223.

Selected Ion Flow Tube studies of the reactions of H3O+, NO+ and O2+ with eleven amine isomers of C5H13N. P. Spanel and D. Smith. Int. J. Mass Spectrom., 185/186/187 (1999), 139-147.

Selected ion flow tube studies of the reactions H3O+, NO+ and O2+ with some chloroalkanes and chloroalkenes. P. Spanel and D. Smith. Int. J. Mass Spectrom., 184 (1999) 157-181.

Rate constants and product branching fractions for the reaction of H3O+ and NO+ with C2 - C12 alkanes. S.T. Arnold, A.A. Viggiano and R.A. Morris. J. Phys. Chem. A, 102 (1998), 8881-8887.

SIFT studies of the reactions of H3O+, NO+ and O2+ with several aromatic and aliphatic hydrocarbons. P. Spanel and D. Smith. Int. J. Mass Spectrom., 181 (1998), 1-10.

Reactions of H3O+(H2O)n and H+(H2O)n(CH3OCH3)m with CH3SCH3. S.T. Arnold, J.M. Thomas and A.A. Viggiano. Int. J. Mass Spectrom., 179/180 (1998), 243-251.

SIFT studies of the reactions of H3O+, NO+ and O2+ with several amines and other nitrogen containing molecules. P. Spanel and D. Smith. Int. J. Mass Spectrom., 176 (1998), 203-211.

SIFT studies of the reactions of H3O+, NO+ and O2+ with some organosulphur molecules. P. Spanel and D. Smith. Int. J. Mass Spectrom., 176 (1998), 167-176.

SIFT studies of the reactions of H3O+, NO+ and O2+ with several ethers. P. Spanel and D. Smith. Int. J. Mass Spectrom. Ion Processes, 172 (1998), 239-247.

SIFT studies of the reactions of H3O+, NO+ and O2+ with a series of volatile carboxylic acids and esters. P. Spanel and D. Smith. Int. J. Mass Spectrom. Ion Processes, 172 (1998), 137-147.

SIFT studies of the reactions of H3O+, NO+ and O2+ with a series of alcohols. P. Spanel and D. Smith. Int. J. Mass Spectrom. Ion Processes, 167/168 (1997), 375-388.

SIFT studies of the reactions of H3O+, NO+ and O2+ with a series of aldehydes and ketones.
P. Spanel, Y.F. Ji and D. Smith. Int. J. Mass Spectrom. Ion Processes, 165/166 (1997), 25-37.

A selected ion flow tube study of the reactions of NO+ and O2+ ions with some organic molecules: The potential for trace gas analysis of air. P. Spanel and D. Smith. J. Chem. Phys., 104 (1996), 1893-1899.

Reactions of hydrated hydronium ions and hydrated hydroxide ions with some hydrocarbons and oxygen-bearing organic molecules. P. Spanel and D. Smith. J. Phys. Chem., 99 (1995), 15551-15556.

Reactions of H3O+ and OH- ions with organic molecules; applications to trace gas analysis in air. P. Spanel, M. Pavlik and D. Smith. Int. J. Mass Spectrom. Ion Processes, 145 (1995), 177-186.

4. Clinical, Veterinary and Microbial Applications

This section lists articles that have been written on a range of topics from breath testing to cancer research. The focus is primarily on humans. Some microbial work is also included.

a. Reviews and Book Chapters

Selected ion flow tube mass spectrometry (SIFT-MS) for on-line trace gas analysis. D. Smith and P. Spanel. Mass Spectrometry Reviews, 24 (2005), 661-700.

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". P. Spanel and D. Smith. In Pier A. de Groot (Ed.) Handbook of Stable Isotope Analytical Techniques, (2004), Elsevier.

The Selected Ion Flow Tube; a Novel Technique for the Quantitative Trace Gas Analysis of Air and Human Breath. P. Spanel and D. Smith. Med. Biol. Eng. Comput., 34 (1996), 409-419.

The selected ion flow tube (SIFT) - a novel technique for biological monitoring. P. Spanel, P. Rolfe, B. Rajan and D. Smith. Ann. Occup. Hyg., 40 (1996), 615-626.

The novel SIFT approach to trace gas analysis of air and breath. D. Smith and P. Spanel. Rapid Communications in Mass Spectrometry, 10 (1996), 1183.

Application of Ion Chemistry and the SIFT Technique to the Quantitative Analysis of Trace Gases in Air and on Breath. P. Spanel and D. Smith. Int. Rev. Phys. Chem., 15 (1996), 231-271.

b. Research Articles

The rapid evaluation of bacterial growth in blood cultures by selected ion flow tube mass spectrometry (SIFT-MS) and comparison with the BacT/ALERT automated blood culture system. J.M. Scotter, R.A. Allardyce, V.S. Langford, A.L. Hill and D.R. Murdoch. Journal of Microbiological Methods, In Press.

Detection of volatile metabolites produced by bacterial growth in blood culture media by selected ion flow tube mass spectrometry (SIFT-MS). R.A. Allardyce, V.S. Langford, A.L. Hill, David R. Murdoch. Journal of Microbiological Methods, In Press.

Real-time detection of common microbial volatile organic compounds from medically important fungi by Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS). J.M. Scotter, V.S. Langford, P.F. Wilson, M.J. McEwan and S.T. Chambers. Journal of Microbiological Methods, 63 (2005), 127-134.

The combined use of SIFT-MS and FA-MS to investigate first-pass metabolism of ethanol. T.S. Wang, P. Spanel, P. and D. Smith. In "Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring" [Based on Presentations at the Conference "Breath Gas Analysis for Medical Diagnostics", Dornbirn, Austria, Sept. 23-26, 2004]. Editors: A. Amann and D. Smith (2005), 479-490, World Scientific Publishing Co., Singapore.

Applications of selected ion flow tube mass spectrometry, SIFT-MS, in addiction research. R. Bloor, T.S. Wang, P. Spanel, P. and D. Smith. In "Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring" [Based on Presentations at the Conference "Breath Gas Analysis for Medical Diagnostics", Dornbirn, Austria, Sept. 23-26, 2004]. Editors: A. Amann and D. Smith (2005), 409-420. World Scientific Publishing Co., Singapore.

Detection of Helicobacter pylori infection by breath ammonia following urea ingestion. C. Penault, P. Spanel and D. Smith. In "Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring" [Based on Presentations at the Conference "Breath Gas Analysis for Medical Diagnostics", Dornbirn, Austria, Sept. 23-26, 2004]. Editors: A. Amann and D. Smith (2005), 393-399. World Scientific Publishing Co., Singapore.

Analysis of breath using SIFT-MS: a comparison of the breath composition of healthy volunteers and seriously-ill ICU patients. C. Turner, S. Welch, G. Bellingan, M. Singer, P. Spanel and D. Smith. In "Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring" [Based on Presentations at the Conference "Breath Gas Analysis for Medical Diagnostics", Dornbirn, Austria, Sept. 23-26, 2004]. Editors: A. Amann and D. Smith (2005), 317-326, World Scientific Publishing Co., Singapore.

Selected ion flow tube mass spectrometry, SIFT-MS, for on-line trace gas analysis of breath. D. Smith and P. Spanel. In "Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring" [Based on Presentations at the Conference "Breath Gas Analysis for Medical Diagnostics", Dornbirn, Austria, Sept. 23-26, 2004]. Editors: A. Amann and D. Smith (2005), 3-34, World Scientific Publishing Co., Singapore.

Coordinated FA-MS and SIFT-MS analyses of breath following ingestion of D2O and ethanol: total body water, dispersal kinetics and ethanol metabolism. P. Spanel, T. Wang and D. Smith. Physiological Measurement, 26 (2005), 447-57.

Detection of volatile compounds emitted by Pseudomonas aeruginosa using selected ion flow tube mass spectrometry. W. Carroll, W. Lenney, T. Wang, P. Spanel, A. Alcock and D. Smith. Pediatric Pulmonology, 39 (2005), 452-6.

Selected ion flow tube, SIFT, studies of the reactions of H3O+, NO+ and O2+ with compounds released by Pseudomonas and related bacteria. T. Wang, D. Smith and P. Spanel. International Journal of Mass Spectrometry, 233 (2004) 245-251.

Measuring transport of water across the peritoneal membrane. R.B. Asghar, A.M. Diskin, P. Spanel, D. Smith and S.J. Davies. Kidney International, 64 (2003), 1911-1915.

Quantification of acetonitrile in exhaled breath and urinary headspace using selected ion flow tube mass spectrometry. S.M. Abbott, J.B. Elder, P. Spanel and D. Smith. International Journal of Mass Spectrometry, 228 (2003), 655-665.

Quantification of acetaldehyde released by lung cancer cells in vitro using selected ion flow tube mass spectrometry. D. Smith, T. Wang, J. Sule-Suso, P. Spanel and A. El Haj. Rapid Communications in Mass Spectrometry, 17 (2003), 845-850.

SIFT-MS measurement of VOC distribution coefficients in human blood constituents and urine. P.F. Wilson, C.G. Freeman, M.J. McEwan, R.A. Allardyce, G.M. Shaw. Applied Occupational and Environmental Hygiene, 18 (2003), 759-763.

Time variation of ammonia, acetone, isoprene and ethanol in breath: a quantitative SIFT-MS study over 30 days. A.M. Diskin, P. Spanel and D. Smith. Physiological Measurement, 24 (2003), 107-120.

Increase of acetone and ammonia in urine headspace and breath during ovulation quantified using selected ion flow tube mass spectrometry. A.M. Diskin, P. Spanel and D. Smith. Physiological Measurement, 24 (2003), 191-199.

Comparative measurements of total body water in healthy volunteers by online breath deuterium measurement and other near-subject methods. D. Smith, B. Engel, A.M. Diskin, P. Spanel and S.J. Davies. American Journal of Clinical Nutrition, 76 (2002), 1295-1301.

In situ analysis of solvents on breath and blood: a selected ion flow tube mass spectrometric study. P.F. Wilson, C.G. Freeman, M.J. McEwan, D.B. Milligan, R.A. Allardyce, G.M. Shaw. Rapid Communications in Mass Spectrometry, 16 (2002), 427-432.

On-line, simultaneous quantification of ethanol, some metabolites and water vapour in breath following the ingestion of alcohol. D. Smith, T. Wang and P. Spanel. Physiol. Meas., 23 (2002), 477-489.

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. D. Smith, T. Wang and P. Spanel. Rapid Communications in Mass Spectrometry, 16, (2002), 69-76.

Rapid measurement of deuterium content of breath following oral ingestion to determine body water. S. Davies, P. Spanel and D. Smith. Physiol. Meas., 22 (2001), 651-659.

Assessment of rumen processes using selected-ion-flow-tube mass spectrometric analysis of rumen gases. R.J. Dewhurst, R.T. Evans, P. Spanel and D. Smith. Dairy Science, 84 (2001), 1438-1444.

A new 'online' method to measure increased exhaled isoprene in end-stage renal failure. S. Davies, P. Spanel and D. Smith. Nephrology Dialysis Transplantation, 16 (2001), 836-839.

Real time analysis of breath volatiles using SIFT-MS in cigarette smoking.