Publications

We are regularly publishing papers in magazines and journals, so please check back regularly to view new content. Please also see the Bibliography section for a range of other publications.

For Medical Sector papers click here


Please note that the PDFs on this page are first page extracts from published articles. Full articles are available from the publisher, as noted below.

(59 KB PDF). Detection and Quantification of Chemical Warfare Agent Precursors and Surrogates by Selected Ion Flow Tube Mass Spectrometry. Gregory J. Francis, Daniel B. Milligan, and Murray J. McEwan.
Analytical Chemistry. First page extract only. Full article is available from http://pubs.acs.org/toc/ancham/0/0

(70 KB PDF). Improved peroxyl radical scavenging TOSC assay to quantify antioxidant capacity using SIFT-MS
Senti T. Senthilmohan, Brett M Davis, Paul F. Wilson, Murray J. McEwanRedox Report 2009 Vol 14 No 5 (2009), 197-204.
First page extract only. Full article is available from http://www.ingentaconnect.com/content/maney/rer

( 81 KB PDF). GeoVOC: A SIFT-MS method for the analysis of small linear hydrocarbons of relevance to oil exploration. G.J. Francis, P.F. Wilson, D.B Milligan, V.S. Langford, M.J. McEwan. International Journal of Mass Spectrometry, 268 (2007), 38-46. First page extract only. Full article is available from www.sciencedirect.com.

(33 KB PDF). Reactions of small hydrocarbons with H3O+, O2+ and NO+ ions. P.F. Wilson, C.G. Freeman, M.J. McEwan. International Journal of Mass Spectrometry, 229 (2003), 143-149. First page extract only. Full article is available from www.sciencedirect.com.


Real-Time Monitoring of Hazardous Air Pollutants
Gregory J. Francis, Vaughan S. Langford, Daniel B. Milligan and Murray J. McEwan

Analytical Chemistry, 2009, 81 (4), pp 1595–1599
 
Abstract: Selected ion flow tube mass spectrometry (SIFT-MS) is a technique that offers real-time alternatives to existing methods for monitoring hazardous air pollutants (HAPs) in the environment using chemical ionization. The use of this technique requires knowledge of the kinetic parameters of the reagent ions H3O+, NO+, and O2+ that are most commonly used. We report here measurements with these reagent ions of kinetic parameters for 17 HAP molecules ranging from 1,1-dichloroethene to nitrobenzene. From these data, limits of quantitation are established for all 17 compounds on a commercial SIFT-MS instrument and are found to be well below the time-weighted averages required by legislating bodies for workplace conditions.

Click here for a link to the Analytical Chemistry website where you can purchase the article

Demonstration of Selected Ion Flow Tube MS Detection in the Parts per Trillion Range

Daniel B. Milligan, Gregory J. Francis, Barry J. Prince, and Murray J. McEwan
Analytical Chemistry, 2007, 79 (6), pp 2537–2540
 
The rate coefficients of the ion−molecule reactions between H3O+, NO+, O2+, and phosphine were determined using a selected ion flow tube. Using these data, the selected ion flow tube mass spectrometry (SIFT-MS) method was applied to the real-time measurement of phosphine in nitrogen without sample preparation down to concentrations in the mid parts per trillion range. This is the first reported measurement using SIFT-MS in the parts per trillion range. Linear dependencies on concentration were found from 190 ppt to the ppm range, and the limit of detection for a 10-s scan was 190 ppt (0.27 pg/mL).
Click here for a link to the Analytical Chemistry website where you can purchase the article

Application of Selected Ion Flow Tube Mass Spectrometry to the Real-Time Detection of Triacetone Triperoxide
 
 
Paul F. Wilson, Barry J. Prince, and Murray J. McEwan
Analytical Chemistry, 2006, 78 (2), pp 575–579
 
A fast, efficient, real-time method for the quantitative analysis of the peroxide explosive, TATP, is described. The method utilizes rapid ion−molecule reactions of chemical reagent ions with the vapor above solid TATP. The reactions of three reagent ions (H3O+, O2+, NO+) were examined. Although all three ions exhibited a near-collision-rate reaction with TATP, only NO+ showed product ions that provide unequivocal evidence for a TATP-based explosive. The limit of detection of TATP in the gas phase is 10 ppb (4 × 10-10 mol L-1).
 
Click here for a link to the Analytical Chemistry website where you can purchase the article

 

 

Determination of Olive Oil Oxidative Status by Selected Ion Flow Tube Mass Spectrometry
Brett M. Davis and Murray J. McEwan
Journal of Agricultural and Food Chemistry, 2007, 55 (9), pp 3334–3338
 
The emergence of primary and secondary oxidation products in New Zealand extra virgin olive oil during accelerated thermal oxidation was measured and correlated with the concentrations of 13 headspace volatile compounds measured by selected ion flow tube mass spectrometry (SIFT-MS). SIFT-MS is a mass spectrometric technique that permits qualitative and absolute quantitative measurements to be made from whole air, headspace, or breath samples in real-time down to several parts per billion (ppb). It is well-suited to high-throughput analysis of headspace samples. Propanal, hexanal, and acetone were found at high concentrations in a rancid standard oil, while propanal, acetone, and acetic acid showed marked increases with oxidation time for the oils used in this study. A partial least-squares (PLS) regression model was constructed, which allowed the prediction of peroxide values (PV) for three separate oxidized oils. Sensory rancidity was also measured, although the correlations of headspace volatile compounds with sensory rancidity score were less satisfactory, and too few results were available for the construction of a PLS regression model. A fast (approximately 1 min), reliable method for prediction of olive oil PVs by SIFT-MS was developed.


 
Click here for a link to the Journal of Agricultural and Food Chemistry website where you can purchase the article

 

 

Gas-Phase Reactions and Rearrangements of Alkyl Esters with H3O+, NO+, and O2•+: A Selected Ion Flow Tube Study

Gregory J. Francis, Daniel B. Milligan, and Murray J. McEwan
Journal of Physical Chemistry A, 2007, 111 (39), pp 9670–9679
 
Selected ion flow tube mass spectrometry (SIFT−MS) has been employed to study the ion−molecule reactions of 17 alkyl esters reacting with the common SIFT−MS reagent ions, H3O+, H3O+·nH2O (n = 1, 2, 3), NO+, and O2+. The majority of reactions were observed to proceed at or near collision rate, with the exception of H3O+·3H2O, which was found to be slow for 8 of 17 alkyl esters. Unexpected product ions in the form of the parent carboxylic acid cation were observed to arise from the H3O+ and NO+ reactions of some alkyl esters. The observed reactions have been probed by the ab initio CBS-4M and G2(MP2,SVP) methods. The postulated reaction pathway involves a 1,5 H atom migration from a β-carbon onto the carbonyl oxygen.

Click here for a link to the Journal of Physical Chemistry website where you can purchase the article

 

Medical Sector Papers
 



Senthilmohan ST, Milligan DB, McEwan MJ, et al. Quantitative analysis of trace gases of breath during exercise using the new
SIFT-MS technique. Redox Report. 2000;5:151-53.

Senthilmohan ST, McEwan MJ, Wilson PF, et al. Real time analysis of breath volatiles using SIFT-MS in cigarette smoking.
Redox Report. 2001;6:185-87.

Senthilmohan ST, Kettle A, McEwan MJ, et al. Detection of monobromamine, monochloramine and dichloramine using
selected ion flow tube-mass spectrometry and their relevance as breath markers. Rapid Commun Mass Spectrom.2008;22:677-81.

Seeley MJ, Hu W-P, Scotter JM, et al. In vitro SIFT-MS validation of a breath fractionating device using a model VOC and
ventialtion system. Journal of Breath Research. 2009;3:016001.

Scotter JM, Langford VS, Wilson PF, et al. Real time detection of common microbial volatile organic compounds from
medically important fungi by Selected Ion Flow Tube Mass Spectrometry (SIFT-MS). J Microbiol Methods. 2005;63:127-34.

Scotter JM, Allardyce RA, Langford VS, et al. 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 Microbiol Methods. 2006;65:628-31.

Allardyce RA, Hill AL, Murdoch DR (2006). The rapid evaluation of bacterial growth and antibiotic susceptibility in blood
cultures by selected ion flow tube mass spectrometry. Diagn Microbiol Infect Dis. 55(4):255-61.

Allardyce RA, Langford VS, Hill AL, Murdoch DR (2006) Detection of volatile metabolites produced by bacterial growth in blood
culture media by selected ion flow tube mass spectrometry (SIFT-MS). J Microbiol Methods. 65(2):361-5.

Moorhead KT, Lee D, Chase JG, et al. Classifying algorithms for SIFT-MS technology and medical diagnosis. Comput
Methods Programs Biomed. 2008;89:226-38.

Hu W-P, Storer MK. Medical Applications of SIFT-MS in New Zealand. Chem NZ. 2008;April:51-54.
Moot AR, Ledingham KM, Wilson PF, Senthilmohan ST, Lewis DR, Roake J, Allardyce R. Composition of volatile organic
compounds in diathermy plume as detected by selected ion flow tube mass spectrometry. ANZ J Surg. 2007;77(1-2):20-3.

Epton M, Ledingham K, Dummer J, et al. Interference of CFC containing inhalers with measurements of volatile organic
compounds using selected ion flow tube mass spectrometry (SIFT-MS). Rapid Communications in Mass Spectrometry,23:443-447 2008.

Coker MSA, Hu W-P, Senthilmohan ST, Kettle A. Pathways for the decay of organic dichloramines and liberation of
antimicrobial chloramine gases. Chem Res Toxicol. 2008;21:2334-43.

Scotter JM, Syhre M, Chambers ST. (2005) Direct diagnosis of Aspergillus fumigatus from breath samples. 16th IFCC-FESCC
European Congress of Clinical Chemistry and Laboratory Medicine, 8-12 May 2005, Glasgow. Clin Chim Acta 355 (Suppl) 240

Meeting abstracts

Interference of CFC-containing inhalers with measurements of volatile organic compounds using selected ion flow tube mass
spectrometry (SIFT-MS), Epton M, Ledingham K, Dummer J, et al. IABR, Cleveland, 2007