*      Department of Chemistry of Ions and Clusters  

*      Board of the Institute

Prof. Dr. Patrik Španěl

E-mail: patrik.spanelatjh-inst.cas.cz

Phone: +420 266052112, +420 266053084

Room No: 232, 216, 217

 

Bibliography

 Externally maintained publication lists:

·  ResearcherID page

·  Google Scholar

·  ASEP

·  PUBMED

 

List of publications in scientific journals and books

updated January 2016.

No

Reference

241

Selected Ion Flow-Drift Tube Mass Spectrometry: Quantification of Volatile Compounds in Air and Breath
Anatolii Spesyvyi, David Smith and Patrik Španěl
Anal. Chem. 87 (2015) 12151−12160 10.1021/acs.analchem.5b02994

240

Mass Spectrometric Analysis of Exhaled Breath for the Identification of Volatile Organic Compound Biomarkers in Esophageal and Gastric Adenocarcinoma
Kumar, S., J. Huang, N. Abbassi-Ghadi, H. A. Mackenzie, K. A. Veselkov, J. M. Hoare, L. B. Lovat, P. Spanel, D. Smith and G. B. Hanna
Annals of surgery 262 (2015) 981-990. 10.1097/SLA.0000000000001101

239

Exhaled breath hydrogen cyanide as a marker of early Pseudomonas aeruginosa infection in children with cystic fibrosis
Francis J. Gilchrist, John Belcher, Andrew M. Jones, David Smith, Alan R. Smyth, Kevin W. Southern, Patrik Španěl, A. Kevin Webb and Warren Lenney
ERJ Open. Res. 1 (2015) 00044-2015 10.1183/23120541.00044-2015

238

Increase of methanol in exhaled breath quantified by SIFT-MS following aspartame ingestion
Patrik Španěl, Kseniya Dryahina, Petra Vicherková and David Smith
J. Breath Res. 9 (2015) 047104 10.1088/1752-7155/9/4/047104

237

Product ion distributions for the reactions of NO+ with some N-containing and O-containing heterocyclic compounds obtained using SRI-TOF-MS
Paweł Mochalski, Karl Unterkofler, Patrik Španěl, David Smith, Anton Amann
International Journal of Mass Spectrometry 386 (2015) 42–46 10.1016/j.ijms.2015.06.003

236

Determination of residence times of ions in a resistive glass selected ion flow-drift tube using the Hadamard transformation
Anatolii Spesyvyi and Patrik Španěl
Rapid Commun. Mass Spectrom. 29 (2015) 1563–1570 10.1002/rcm.7254

235

Direct detection and quantification of malondialdehyde vapour in humid air using selected ion flow tube mass spectrometry supported by gas chromatography/mass spectrometry
Violetta Shestivska, Stefan S Antonowicz, Kseniya Dryahina, Jiří Kubišta, David Smith and Patrik Španěl
Rapid Commun. Mass Spectrom. 29 (2015) 1069–1079 10.1002/rcm.7198

234

The in vitro identification and quantification of volatile biomarkers released by cystic fibrosis pathogens. F. J. Gilchrist, P. Španěl D. Smith and W. Lenney
Anal. Methods 7 (2015) 818-824 10.1039/c4ay02981j

233

Release of toxic ammonia and volatile organic compounds by heated cannabis and their relation to tetrahydrocannabinol content. David Smith, Roger Bloor, Claire George, Andriy Pysanenko and Patrik Španěl
Anal. Methods 7 (2015) 4104-4110 10.1039/c5ay00593k

232

SIFT-MS and FA-MS methods for ambient gas phase analysis: developments and applications in the UK. David Smith and Patrik Španěl
Analyst 140 (2015) 2573-2591 10.1039/c4an02049a

231

The SIFT and FALP techniques; applications to ionic and electronic reactions studies and their evolution to the SIFT-MS and FA-MS analytical methods. David Smith and Patrik Španěl
Int. J. Mass Spectrometry 377 (2015) 467–478 10.1016/j.ijms.2014.05.016

230

Pitfalls in the analysis of volatile breath biomarkers: suggested solutions and SIFT–MS quantification of single metabolites. David Smith and Patrik Španěl
J. Breath Res. 9 (2015) 022001 10.1088/1752-7155/9/2/022001

229

Quantitative analysis of volatile metabolites released in vitro by bacteria of the genus Stenotrophomonas for identification of breath biomarkers of respiratory infection in cystic fibrosis. Violetta Shestivska, Kseniya Dryahina, Jaroslav Nunvář, Kristýna Sovová, Dana Elhottová, Alexandr Nemec, David Smith and Patrik Španěl
J. Breath Res. 9 (2015) 027104 10.1088/1752-7155/9/2/027104

228

Product ion distributions for the reactions of NO+ with some physiologically significant volatile organosulfur and organoselenium compounds obtained using a selective reagent ionization time-of-flight mass spectrometer

Paweł Mochalski, Karl Unterkofler, Patrik Španěl, David Smith, Anton Amann
Rapid Commun. Mass Spectrom. 28 (2014) 1683–1690 10.1002/rcm.6947

227

Quantification by SIFT-MS of volatile compounds emitted by Aspergillus fumigatus cultures and in co-culture with Pseudomonas aeruginosa, Staphylococcus aureus and Streptococcus pneumoniae
Thomas W. E. Chippendale, Francis J. Gilchrist, Patrik Spanel, Alice Alcock, Warren Lenney and David Smith
Analytical Methods 6 (2014) 8154 10.1039/c4ay01217h

226

Counting cell number in situ by quantification of dimethyl sulphide in culture headspace
Thomas W. E. Chippendale Patrik Spanel David Smith and Alicia J. El Haj 2014, 139, 4903 10.1039/c4an01102c

225

Reactions of the SIFT-MS reagent ions H3O+ and NO+ with a series of volatile aldehydes of biogenic significance
David Smith, Thomas W. E. Chippendale and Patrik Španěl
Rapid Commun. Mass Spectrom. 2014, 28, 1917–1928 10.1002/rcm.6977

224

Exhaled breath concentrations of acetic acid vapour in gastro-esophageal reflux disease
Kseniya Dryahina, Veronika Pospíšilová, Kristýna Sovová, Violetta Shestivska, Jiří Kubišta, Anatolii Spesysyi, František Pehal, Jarmila Turzíková, Jiří Votruba and Patrik Španěl
J. Breath Res. 8 (2014) 037109 (6pp) 10.1088/1752-7155/8/3/037109

223

A selected ion flow tube study of the ion molecule association reactions of protonated (MH+) , nitrosonated (MNO+) and dehydroxidated (M-OH)+ carboxylic acids (M) with H2O
Regina Brůhová Michalčíková and Patrik Španěl
International Journal of Mass Spectrometry 368 (2014) 15–22 10.1016/j.ijms.2014.04.010

222

Product ion distributions for the reactions of NO+ with some physiologically significant aldehydes obtained using a SRI-TOF-MS instrument
Paweł Mochalski, Karl Unterkofler, Patrik Španěl, David Smith, Anton Amann
International Journal of Mass Spectrometry 363 (2014) 23–31 10.1016/j.ijms.2014.02.016

221

Breath analysis of ammonia, volatile organic compounds and deuterated water vapour in chronic kidney disease and during dialysis
Simon J. Davies, Patrik Španěl and David Smith
Bioanalysis (2014) 6(6), 843–857 10.4155/BIO.14.26

220

Mass spectrometry for real-time quantitative breath analysis
David Smith, Patrik Španěl, Jens Herbig and Jonathan Beauchamp
J. Breath Res. 8 (2014) 027101 10.1088/1752-7155/8/2/027101

219

Quantification by SIFT-MS of volatile compounds emitted by in vitro cultures of S. aureus, S. pneumoniae and H. influenzae isolated from patients with respiratory diseases
Thomas W. E. Chippendale, Francis J. Gilchrist, Patrik Španěl, Alice Alcock, Warren Lenney and David Smith
Analytical Methods 6 (2014) 2460-2472 10.1039/c4ay00209a

218

Quantification of octanol–water partition coefficients of several aldehydes in a bubble column using selected ion flow tube mass spectrometry
Philippe M. Heynderickx, Patrik Španěl, Herman Van Langenhove
Fluid Phase Equilibria 367 (2014) 22–28 10.1016/j.fluid.2014.01.017

217

Effects of dietary nutrients on volatile breath metabolites
Olawunmi A. Ajibola, David Smith, Patrik Španěl and Gordon A. A. Ferns
Journal of Nutritional Science (2013), vol. 2, e34 10.1017/jns.2013.26

216

Is Hydrogen Cyanide a Marker of Burkholderia cepacia Complex?
Francis J. Gilchrist, Hayley Sims, Alice Alcock, Andrew M. Jones, Rowland J. Bright-Thomas, David Smith, Patrik Špan
ěl, A. Kevin Webb, Warren Lenney
Journal of Clinical Microbiology 51 (2013) 3849–3851 10.1128/JCM.02157-13

215

Hydrogen cyanide, a volatile biomarker of Pseudomonas aeruginosa infection
David Smith, Patrik Španěl, Francis J Gilchrist, Warren Lenney
J. Breath Res. 7 (2013) 044001 (13pp) 10.1088/1752-7155/7/4/044001

214

On the features, successes and challenges of selected ion flow tube mass spectrometry
Patrik Španěl and David Smith
Eur. J. Mass Spectrom., 2013, 19, 225–246 10.1255/ejms.1240

213

Real Time Detection of Aroma Compounds in Meat and Meat Products by SIFT-MS and Comparison to Conventional Techniques (SPME-GC-MS)
Mónica Flores, Alicia Olivares, Kseniya Dryahina, Patrik Španěl
Current Analytical Chemistry, 2013, 9, 622-630 10.2174/15734110113099990027

212

Breath Analysis and the Measurement of Total Body Water Using Isotope Dilution – Applications in the Dialysis Clinic
Simon J. Davies, Barbara Engel, Cian Chan, Boon Kay Tan, Zanzhe Yu, Ramzana Asghar, Biju John, Patrik Španěl and David Smith1
Current Analytical Chemistry, 2013, 9, 593-599 10.2174/15734110113099990024

211

SIFT Applications in Mass Spectrometry
Patrik Španěl, David Smith
in Chemistry, Molecular Sciences and Engineering, 2013. Elsevier: Amsterdam. 10.1016/B978-0-12-409547-2.05253-7

210

SIFT-MS Analysis of Nose-Exhaled Breath; Mouth Contamination and the Influence of Exercise
David Smith, Thomas W.E. Chippendale, Kseniya Dryahina and Patrik Španěl
Current Analytical Chemistry, 2013, 9, 565-575 10.2174/15734110113099990021

209

Minimising the Effects of Isobaric Product Ions in SIFT-MS Quantification of Acetaldehyde, Dimethyl Sulphide and Carbon Dioxide
David Smith, Thomas W.E. Chippendale, Patrik Španěl
Current Analytical Chemistry, 2013, 9, 550-557 10.2174/15734110113099990019

208

Advances in On-line Absolute Trace Gas Analysis by SIFT-MS
Patrik Španěl, David Smith

Current Analytical Chemistry, 2013, 9, 525-539 10.2174/15734110113099990017

207

Recent SIFT-MS Studies of Volatile Compounds in Physiology, Medicine and Cell Biology
Patrik Španěl, David Smith
in Amann and Smith (ed), Volatile Biomarkers: Non-Invasive Diagnosis in Physiology and Medicine, 2013, pp. 49-76 10.1016/B978-0-44-462613-4.00004-0

206

Quantification of pentane in exhaled breath, a potential biomarker of bowel disease, using selected ion flow tube mass spectrometry
Kseniya Dryahina, Patrik Španěl, Veronika Pospíšilová, Kristýna Sovová, Luděk Hrdlička, Naděžda Machková, Milan Lukáš, David Smith
Rapid Commun. Mass Spectrom. 2013, 27, 1983–1992 10.1002/rcm.6660

205

Real time monitoring of population dynamics in concurrent bacterial growth using SIFT-MS quantification of volatile metabolites
Kristýna Sovová, Jaroslav Čepl, Anton Markoš, Patrik Španěl
Analyst, 2013,138, 4795-4801 10.1039/C3AN00472D

204

Selected Ion Flow Tube Mass Spectrometry Analysis of Exhaled Breath for Volatile Organic Compound Profiling of Esophago-Gastric Cancer
Sacheen Kumar, Juzheng Huang, Nima Abbassi-Ghadi, Patrik Španěl, David Smith, George B. Hanna
Anal. Chem. 2013, 85, 6121−6128 10.1021/ac4010309

203

Hydrogen cyanide concentrations in the breath of adult cystic fibrosis patients

with and without Pseudomonas aeruginosa infection
Francis J Gilchrist, Rowland J Bright-Thomas, Andrew M Jones, David Smith, Patrik
Španěl, A Kevin Webb, Warren Lenney
J. Breath Res. 7 (2013) 026010 (7pp) 10.1088/1752-7155/7/2/026010

202

Selected Ion Flow Tube Mass Spectrometry Analysis of Volatile Metabolites in Urine Headspace for the Profiling of Gastro-Esophageal Cancer
Juzheng Huang, Sacheen Kumar, Nima Abbassi-Ghadi, Patrik
Španěl, David Smith, George B. Hanna
Anal. Chem. 2013, 85, 3409−3416 10.1021/ac4000656

201

A quantitative study of the influence of inhaled compounds on their concentrations in exhaled breath
Patrik
Španěl, Kseniya Dryahina and David Smith
J. Breath Res., 2013, 7, 017106 10.1088/1752-7155/7/1/017106

200

Quantification by SIFT-MS of acetaldehyde released by lung cells in a 3D model
Abigail V. Rutter, Thomas W. E. Chippendale, Ying Yang, Patrik Španěl, David Smith, Josep Sule-Suso
Analyst, 2013, 138, 91-95 10.1039/c2an36185j

199

Selected Ion Flow Tube-MS Analysis of Headspace Vapor from

Gastric Content for the Diagnosis of Gastro-Esophageal Cancer
Sacheen Kumar, Juzheng Huang, Julia R. Cushnir, Patrik Španěl, David Smith, George B. Hanna
Anal. Chem. 2012, 84, 9550−9557 doi:10.1021/ac302409a

198

Quantification of hydrogen cyanide and 2-aminoacetophenone in the

headspace of Pseudomonas aeruginosa cultured under biofilm and planktonic

conditions
Francis J. Gilchrist, Hayley Sims, Alice Alcock, John Belcher, Andrew M. Jones, David Smith, Patrik Španěl,  A. Kevin Webb and Warren Lenney
Anal. Methods 4 (2012) 3661-3665 10.1039/c2ay25652e

197

Variability in the concentrations of volatile metabolites emitted by genotypically different strains of Pseudomonas aeruginosa
V. Shestivska, P. Španěl, K. Dryahina, K. Sovov
á, D. Smith, M. Musılek, A. Nemec
Journal of Applied Microbiology 113 (2012)
701-713 doi:10.1111/j.1365-2672.2012.05370.x

196

Analysis of volatile compounds in the breath of patients with inflammatory bowel diseases  [Analýza těkavých plynů ve vydechovaném vzduchu u nemocných s idiopatickými střevními záněty]
Hrdlička, L., Dryahina, K., Ďuricová, D., Bortlík, M., Machková, N., Španěl, P., Lukáš, M.
Ceska a Slovenska Gastroenterologie a Hepatologie 66 (2012) 125-130 http://www.csgh.info/detail.php?stat=589

195

Injection of deuterated water into the pulmonary/alveolar circulation; measurement of HDO in exhaled breath and implications to breath analysis

Boon K Tan, Simon J Davies, Patrik Španěl and David Smith
J. Breath Res. 6
(2012) 036005 doi:10.1088/1752-7155/6/3/036005

194

An investigation of suitable bag materials for the collection and storage of breath samples containing hydrogen cyanide
Francis J Gilchrist, Cyrus Razavi, A Kevin Webb, Andrew M Jones, Patrik Španěl, David Smith, Warren Lenney
J. Breath Res. 6
(2012) 036004
doi:10.1088/1752-7155/6/3/036004

193

Rapid detection of lipid oxidation in beef muscle packed under modified atmosphere by measuring volatile organic compounds using SIFT-MS
Alicia Olivares, Kseniya Dryahina, Patrik Španěl, Mónica Flores
Food Chemistry 135 (2012) 1801–1808
doi:10.1016/j.foodchem.2012.06.075

192

A selected ion flow tube study of the reactions of H3O+, NO+ and O2+• with seven isomers of hexanol in support of SIFT-MS
David Smith, Krist
ýna Sovová, Patrik Španěl
International Journal of Mass Spectrometry
319–320 (2012) 25–30 doi:10.1016/j.ijms.2012.03.009

191

The Potential for use of Breath Analysis in Monitoring Diabetes Mellitus
David Smith, Patrik Španěl, Anthony A. Fryer, Fahmy Hanna, Gordon A. Ferns
Midlands Medicine
26 (2012) 208−213

190

Real-Time Quantification of Traces of Biogenic Volatile Selenium Compounds in Humid Air by Selected Ion Flow Tube Mass Spectrometry
Kristýna Sovová, Violetta Shestivska, and Patrik Španěl
Analytical Chemistry
84 (2012) 4979−4983 doi:10.1021/ac300609m

189

Combining Fourier transform nuclear quadrupole resonance (FT-NQR) spectroscopy and mass spectrometry (MS) to study the electronic structure of titanocene dichlorides
Ji
ří Kubišta, Martin Civiš, Patrik Španěl and Svatopluk Civiš
Analyst
137 (2012) 1338 doi:10.1039/c2an15840j

188

Variation in hydrogen cyanide production between different strains of Pseudomonas aeruginosa
F.J. Gilchrist, A. Alcock, J. Belcher, M. Brady, A. Jones, D. Smith, P. Španěl, K. Webb, W. Lenney.
Eur Respir J 38 (2011) 409–414 doi:10.1183/09031936.00166510

187

Comment on ‘Influences of mixed expiratory sampling parameters on exhaled volatile organic compound concentrations’
Patrik Španěl, David Smith.
J. Breath Res. 5
(2011) 048001 (4pp) doi:10.1088/1752-7155/5/4/048001

186

Quantification of methyl thiocyanate in the headspace of Pseudomonas aeruginosa cultures and in the breath of cystic fibrosis patients by selected ion flow tube mass spectrometry
Violetta Shestivska, Alexandr Nemec, Pavel Dřevínek, Kristýna Sovová, Kseniya Dryahina and Patrik Španěl
Rapid Commun. Mass Spectrom. 25
(2011) 2459–2467 doi:10.1002/rcm.5146

185

Volatile compounds in health and disease
Patrik Španěl, David Smith
Current Opinion in Clinical Nutrition and Metabolic Care. 14
(2011) 455–460 doi:10.1097/MCO.0b013e3283490280

184

Time-resolved selected ion flow tube mass spectrometric quantification of the volatile compounds generated by E. coli JM109 cultured in two different media
Thomas W E Chippendale, Patrik Španěl, David Smith
Rapid Commun. Mass Spectrom. 25
(2011) 2163–2172 doi:10.1002/rcm.5099

183

Breath acetone concentration; biological variability

and the influence of diet
Patrik Španěl, Kseniya Dryahina, Alžběta Rejšková, Thomas W E Chippendale, David Smith
Physiol. Meas. 32 (2011) N23–N31 doi:10.1088/0967-3334/32/8/N01

182

On-line, real time monitoring of exhaled trace gases by SIFT-MS in the perioperative setting: a feasibility study
Piers R. Boshier, Julia R. Cushnir, Vikash Mistry, Alison Knaggs, Patrik Španěl, David Smith, George B. Hanna
Analyst 136 (2011) 3233–3237 doi:10.1039/c1an15356k

181

Direct, rapid quantitative analyses of BVOCs using SIFT-MS and PTRMS obviating sample collection
David Smith, Patrik Španěl
Trends in Analytical Chemistry 30 (2011) 945-959 doi:10.1016/j.trac.2011.05.001

180

Can volatile compounds in exhaled breath be used to monitor control in diabetes mellitus?
David Smith, Patrik Španěl, Anthony A Fryer, Fahmy Hanna, Gordon AA Ferns
J. Breath Res. 5 (2011) 022001 doi:10.1088/1752-7155/5/2/022001

179

Selected ion flow tube, SIFT, studies of the reactions of H3O+, NO+ and O2+ with some biologically active isobaric compounds in preparation for SIFT-MS analyses
David Smith, Thomas W.E. Chippendale, Patrik Španěl
Int. J. Mass Spectrom.  303 (2011) 81–89 doi:10.1016/j.ijms.2011.01.005

178

Spektroskopie tabákového kouře
Vojtěch Pazdera, Michal Fousek, Martin Ferus, Kseniya Dryahina, Patrik Španěl, Violetta Shestivska, Svatopluk Civiš2
Čs. čas. fyz.61 (2011) 65–73 http://cscasfyz.fzu.cz/cfc101aktcis.php

177

Ambient analysis of trace compounds in gaseous media by SIFT-MS
David Smith, Patrik Španěl
Analyst 136 (2011) 2009–2032 doi:10.1039/c1an15082k

176

SPME-GC-MS versus Selected Ion Flow Tube Mass Spectrometry (SIFT-MS) Analyses for the Study of Volatile Compound Generation and Oxidation Status during Dry Fermented Sausage Processing
Alicia Olivares, Kseniya Dryahina, Jose Luis Navarro, David Smith, Patrik Španěl, Monica Flores
J. Agric. Food Chem. 59 (2011) 1931–1938 10.1021/jf104281a

175

HNC/HCN Ratio in Acetonitrile, Formamide, and BrCN Discharge
Martin Ferus, Petr Kubelík, Kentarou Kawaguchi, Kseniya Dryahina, Patrik  Španěl, Svatopluk Civis
J. Phys. A 115 (2011) 1885–1899 doi:10.1021/jp1107872

174

Laser Ablation of FOX-7: Proposed Mechanism of Decomposition
Martin Civis, Svatopluk Civis, Kristyna Sovová, Kseniya Dryahina, Patrik  Španěl, Martin Kyncl
Anal. Chem. 83 (2011) 1069-1077 doi:10.1021/ac1028769

173

Determination of the Deuterium Abundances in Water from 156 to 10,000 ppm by SIFT-MS
Patrik Španěl, Violetta Shestivska, Thomas W.E. Chippendale, David Smith

J. Am. Soc. Mass Spectrom. 22 (2011) 179-186 doi:10.1007/s13361-010-0019-2

172

Progress in SIFT-MS: breath analysis and other applications
Patrik
Španěl, David Smith

Mass Spectrometry Reviews 30 (2011) 236-267 doi:10.1002/mas.20303

171

Selected ion flow tube (SIFT) studies of the reactions of H3O+, NO+ and O2+• with six volatile phytogenic esters
Kristýna Sovová, Kseniya Dryahina, Patrik Španěl

International Journal of Mass Spectrometry 300 (2011) 31–38 doi:10.1016/j.ijms.2010.11.021

170

Selected ion flow tube mass spectrometry, SIFT-MS; new horizons in real time air and breath analysis
David Smith and Patrik Španěl

Spectroscopy Europe, 22 (2010) 21–24
http://www.spectroscopyeurope.com

169

Plasma Volume, Albumin, and Fluid Status in Peritoneal

Dialysis Patients
John, B., Tan, B.K., Dainty, S., Spanel, P., Smith, D., Davies, S.J.
Clin. J. Am. Soc. Nephrol. 5 (2010) 1463-1470.

doi:10.2215/cjn.09411209

168

Selected Ion Flow Tube-Mass Spectrometry for Absolute Quantification of Aroma Compounds in the Headspace of Dry Fermented Sausages
Alicia Olivares, Kseniya Dryahina, Jose Luis Navarro, Monica Flores, David Smith, and

Patrik Španěl 
Anal. Chem, 82 (2010) 5819–5829
doi:10.1021/ac1009723

167

A study of the composition of the products of laser-induced breakdown of hexogen, octogen, pentrite and trinitrotoluene using selected ion flow tube mass spectrometry and UV-Vis spectrometry
Kristýna Sovov
á, Kseniya Dryahina, Patrik Španěl, Martin Kyncl and Svatopluk Civiš
Analyst 135 (2010) 1106-1114

doi:10.1039/b926425f

166

Advantages of breath testing for the early diagnosis of lung cancer
D. Smith, P. Španěl, J Sule-Suso
Expert Rev. Mol. Diagn. 10 (2010) 255–257

doi:10.1586/ERM.10.16

165

Quantification of methane in humid air and exhaled breath using selected ion flow tube mass spectrometry
K. Dryahina, D. Smith, P. Španěl
Rapid Commun. Mass Spectrom. 24 (2010) 1296–1304

doi:10.1002/rcm.4513

164

Dynamics of Formation of Products D2CN+, DCN+, and CD3+ in the Reaction of N+ with CD4: A Crossed-Beam and Theoretical Study†
J. Zabka, J. Roithova, P. Španěl, Z. Herman
J. Phys. Chem. A 114 (2010) 1384–1391

doi:10.1021/jp9069493

163

Dispersal kinetics of deuterated water in the lungs and airways following mouth

inhalation: real-time breath analysis by flowing afterglow mass spectrometry (FA-MS)
B.K. Tan, D. Smith, P. Spanel and S.J Davies
J. Breath Res. 4 (2010) 017109 (5pp)

doi:10.1088/1752-7155/4/1/017109

162

Kinetics of ethanol decay in mouth- and nose-exhaled breath measured on-line by selected ion flow tube mass spectrometry following varying doses of alcohol
David Smith, Andriy Pysanenko, Patrik Španěl
Rapid Commun. Mass Spectrom. 24 (2010) 1066-1074

doi:10.1002/rcm.4481

161

Isoprene levels in the exhaled breath of 200 healthy pupils within the age range 7–18 years studied using SIFT-MS
David Smith, Patrik Španěl, Beth Enderby, Warren Lenney, Claire Turner and Simon J Davies
J. Breath Res. 4 (2010) 017101 (7pp)

doi:10.1088/1752-7155/4/1/017101

160

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

doi:10.2215/CJN.02510409

159

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

doi:10.1039/b916158a

158

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

doi:10.1016/j.ijms.2009.06.002

157

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
Andriy Pysanenko, Patrik Španěl, David Smith
International Journal of Mass Spectrometry 285 (2009) 42-48

doi:10.1016/j.ijms.2009.04.002

156

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

doi:10.1088/1752-7155/3/3/036001

155

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

doi:10.1002/rcm.4016

154

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

doi:10.1002/rcm.3963

153

Ionic diffusion and mass discrimination effects in the new generation of short

flow tube SIFT-MS instruments
David Smith, Andriy Pysanenko, Patrik Španěl
International Journal of Mass Spectrometry 281 (2009) 15-23

doi:10.1016/j.ijms.2008.11.007

152

Influence of weakly bound adduct ions on breath trace gas analysis by selected ion flow tube mass spectrometry (SIFT-MS)
Patrik Španěl, David Smith
International Journal of Mass Spectrometry 280 (2009) 128-135

doi:10.1016/j.ijms.2008.07.021

151

SIFT-MS Analysis of Molecular Gas Mixtures Exposed to High-Power Laser Plasmas: Laboratory Simulation of High-Energy-Density Events in Early Earth’s Atmospheres
K. Sovová, I. Matulková, M. Kamas1 K. Dryahina, P. Španĕl, L. Juha, S. Civiš
Orig. Life Evol. Biosph. 39 (2009) 249-250

doi:10.1007/s11084-009-9164-7

150

Spectroscopic Investigations of High-Power Laser Sparks in Gas Mixtures Containing

Methane: A Laboratory Model of Energetic Events in Strongly Reduced Planetary

Atmospheres
S. Civiš, M. Civiš, R. Rašín, M. Kamas, K. Dryahina, P. Španĕl, L. Juha, M. Ferus
Orig. Life Evol. Biosph. 39 (2009) 217-217

doi:10.1007/s11084-009-9164-7

149

A study of thermal decomposition and combustion products of disposable polyethylene terephthalate (PET) plastic using high resolution Fourier transform infrared spectroscopy, selected ion flow tube mass spectrometry and gas chromatography mass spectrometry
Kristyna Sovova, Martin Ferus, Irena Matulkova, Patrik Španěl, Kseniya Dryahina, Otto Dvorak and Svatopluk Civis
Molecular Physics 106 (2008) 1205-1214

doi:10.1080/00268970802077876

148

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

doi:10.1088/1752-7155/2/4/046004

147

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

doi:10.1111/j.1360-0443.2008.02281.x

146

Selected ion flow tube mass spectrometry of exhaled breath condensate headspace
Petr Cap, Kseniya Dryahina, Frantisek Pehal and Patrik Španěl
Rapid Commun. Mass Spectrom. 22 (2008) 2844–2850

doi:10.1002/rcm.3685

145

Quantification of trace levels of the potential cancer biomarkers formaldehyde, acetaldehyde and propanol in breath by SIFT-MS

Patrik Španěl and David Smith
Journal of Breath Research 2  (2008) 046003

doi:10.1088/1752-7155/2/4/046003

144

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

doi:10.1088/1752-7155/2/3/037013

143

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

doi:10.1016/j.ijms.2008.01.002

142

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

doi:10.1093/ndt/gfn045

141

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

doi:10.1063/1.2831767

140

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

doi:10.1088/1752-7155/2/2/026002

139

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

doi:10.1002/rcm.3434

138

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

doi:10.1002/rcm.3402

137

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

doi:10.1255/ejms.843

136

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

doi:10.1088/1752-7155/1/2/026001

135

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

doi:10.1088/1752-7155/1/1/014004

134

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

doi:10.1088/1752-7155/1/1/011001

133

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

doi:10.1016/j.ijms.2007.02.023

132

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

doi:10.1039/b700542n

131

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

doi:10.2174/138955707779802606

130

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

doi:10.1111/j.1369-1600.2006.00015.x

129

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

doi:10.1080/00016340600590535

128

The increase of breath ammonia induced by niacin

ingestion quantified by selected ion flow tube mass

spectrometry
David Smith, Tianshu Wang, Patrik Španěl and Roger Bloor
Physiological Measurement 27 (2006) 437–444.

doi:10.1088/0967-3334/27/6/001

127

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

doi:10.1088/0967-3334/27/7/007

126

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

doi:10.1088/0967-3334/27/4/001

125

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

doi:10.1016/j.ijms.2005.12.024

124

Combined use of gas chromatography and selected ion flow tube mass spectrometry for absolute trace gas quantification
Jiri Kubista, Patrik Španěl, Kseniya Dryahina, Clive Workman and David Smith
Rapid Commun. Mass Spectrom. 20  (2006)  563–567.

doi:10.1002/rcm.2340

123

Generation of volatile compounds on mouth exposure to urea and sucrose: implications for exhaled breath analysis
Patrik Španěl, Claire Turner, Tianshu Wang, Roger Bloor and David Smith

Physiological Measurement 27 (2006) N7-N17

doi:10.1088/0967-3334/27/2/N01

122

A longitudinal study of ethanol and acetaldehyde in the exhaled breath of healthy volunteers using selected-ion flow-tube mass spectrometry
Claire Turner, Patrik Španěl and David Smith
Rapid Commun. Mass Spectrom. 20  (2006)  61–68.

doi:10.1002/rcm.2275

121

A longitudinal study of breath isoprene in healthy volunteers using selected ion flow tube mass spectrometry (SIFT-MS)
Claire Turner, Patrik Španěl and David Smith
Physiological Measurement 27 (2006) 13-22.

doi:10.1088/0967-3334/27/1/002

120

Coordinated FA-MS and SIFT-MS analyses of breath following ingestion of D2O and ethanol; total body water, dispersal kinetics and ethanol metabolism.
Patrik Španěl, Tianshu Wang, David Smith
Physiological Measurement 26 (2005) 447-457.

119

Bronchoalveolar lavage examined by solid phase microextraction, gas chromatography–mass spectrometry and selected ion flow tube mass spectrometry.
Jaroslav Julak, Eva Stranska, Vlasta Rosova, Helmut Geppert, Patrik Španěl, David Smith

Journal of Microbiological Methods 65 (2006) 76– 86.

118

Influence of convection on the diffusive transport and sieving of water and small solutes across the peritoneal membrane.
Asghar, RB; Diskin, AM; Španěl, P; Smith, D; Davies, SJ.

Journal of the American Society Of Nephrology, 16 (2005): 437-443.

117

Detection of volatile compounds emitted by Pseudomonas aeruginosa using selected ion flow tube mass spectrometry
Carroll, W; Lenney, W; Wang, TS; Španěl, P; Alcock, A; Smith, D.

Pediatric Pulmonology, 39 (2005) 452-456.

116

A convenient method for calculation of ionic diffusion coefficients for accurate selected ion flow tube mass spectrometry, SIFT-MS.
K. Dryahina, P. Španěl

International Journal of Mass Spectrometry 244 (2005) 148–154.

115

The combined use of SIFT-MS and FA-MS to investigate first-pass metabolism of ethanol.
T.S. Wang, P. Španěl, D. Smith.

in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp. 479-490.

114

Flowing afterglow mass spectrometry (FA-MS) for the determination of the deuterium abundance in breath water vapour and aqueous liquid headspace.
Patrik Španěl, David Smith.

in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp. 439-455.

113

Applications of selected ion flow tube mass spectrometry, SIFT-MS, in addiction research.
R. Bloor, T.S. Wang, P. Španěl, D. Smith
in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp. 409-420.

112

Detection of H. Pylori infection by breath ammonia following urea ingestion.
C. Penault, Patrik Španěl, David Smith.
in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp. 393-399.

111

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. Španěl, D. Smith
in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp. 317-326.

110

Selected ion flow tube mass spectrometry, SIFT-MS, for on-line trace gas analysis of breath.
Patrik Španěl, David Smith
in A. Amann, D. Smith (Eds.), Breath Analysis for Clinical Diagnosis and Therapeutic Monitoring, World Scientific, Singapore, 2005. pp.3-34.

109

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

108

Longitudinal measurements of total body water and body composition in healthy volunteers by online breath deuterium measurement and other near-subject methods.
Barbara Engel, Patrik Španěl, David Smith, Ann Diskin, Simon J. Davies
International Journal of Body Composition Research 2 (2004) 99–106.

107

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.
Tianshu Wang, Patrik Španěl, David Smith

International Journal of Mass Spectrometry 239 (2004) 139-146.

106

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

105

Theoretical Study of Diffusion of Ions Important for Breath Analysis by the SIFT-MS Method.
Kseniya Dryahina, Patrik Španěl
in J. Safrankova (editor)
WDS'04 Proceedings of Contributed Papers, Part II,
MATFYZPRESS, Prague (2004) 407-412.
[ISBN 80-86732-32-0]

104

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
Kseniya Dryahina, Miroslav Polášek, Patrik Španěl
International Journal of Mass Spectrometry 239 (2004) 57-65.

103

Quantification of hydrogen cyanide in humid air by selected ion flow tube mass
spectrometry
Patrik Španěl, Tianshu Wang, David Smith
Rapid Communications in Mass Spectrometry 18 (2004) 1869-1873.

102

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
Tianshu Wang, Patrik Španěl, David Smith
International Journal of Mass Spectrometry 237 (2004) 167-174.

101

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

100

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

99

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
Patrik Španěl, David Smith
in Pier A. de Groot (ed.) Handbook of Stable Isotope Analytical Techniques (2004), Elsevier, 88-102 [ISBN: 0-444-51114-8].

98

Analysis of Petrol and Diesel Vapor using selective ion flow tube/mass spectrometry
Cheng P, Zhang WJ, Chu YN, Španěl P, Smith D
Chinese Journal of Analytical Chemistry 31 (2003) 548.

97

Analysis of ketones by selected ion flow tube mass spectrometry
David Smith, Tianshu Wang, Patrik Španěl
Rapid Communications in Mass Spectrometry 17, (2003), 2655-2660.

96

A SIFT study of the reactions of H2ONO+ ions with several types of organic molecules
David Smith, Tianshu Wang, Patrik Španěl
International Journal of Mass Spectrometry 230 (2003) 1-9.

95

Selected ion flow tube, SIFT, studies of the reactions of H3O+,NO+ and O2+ with eleven
C10H16 monoterpenes.
Tianshu Wang, Patrik Španěl, David Smith
International Journal of Mass Spectrometry 228 (2003) 117-126.

94

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

93

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

92

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

91

The influence of electron–electron collisions on electron thermalization in He and Ar
afterglow plasmas
David Trunec, David Smith, Patrik Španěl
Chemical Physiscs Lettres 372, (2003), 728-732.

90

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

89

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

88

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

87

Comparative measurements of total body water in healthy volunteers by online breath
deuterium measurement and other near-subject methods
David Smith, Barbara engel, Ann M. Diskin, Patrik Španěl, Simon J. Davies
American Journal of Clinical Nutrition 76, (2002), 1295-1301.

86

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

85

Selected ion flow tube studies of the reactions of H3O+, NO+ and O2+ with the
aneasthetic gases halothane, isoflurane and sevoflurane
Tianshu Wang, David Smith, Patrik Španěl
Rapid Communications in Mass Spectrometry 16, (2002), 1860-1870.

84

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

83

Analysis of petrol and diesel vapour and vehicle engine exhaust gases using selected ion
flow tube mass spectrometry
David Smith, Ping Cheng, Patrik Španěl
Rapid Communications in Mass Spectrometry 16, (2002), 1124-1134.

82

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.
Ann M. Diskin, Tianshu Wang, David Smith, Patrik Španěl
International Journal of Mass Spectrometry 218, (2002), 87-101.

81

 On-line, simultaneous quantification of ethanol, some metabolites and water vapour in
breath following the ingestion of alcohol.
David Smith, Tianshu Wang and Patrik Španěl
Physiol. Meas. 23 , (2002), 477-489.

80

 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. Španěl, D. Smith,
D.Z. Cao, Y.N. Chu
Acta Physico-Chimica Sinica 18, (2002), 232-236.

79

Monte Carlo simulations of the influence of ion-neutral collisions on the ion currents
collected by electrostatic probes
D. Trunec, P. Španěl and D. Smith
Contrib. Plasma Phys. 42, (2002), 91-98.

78

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. Španěl, J.M. Van Doren and D. Smith
International Journal of Mass Spectrometry 213, (2002), 163-176.

77

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. Španěl
Rapid Communications in Mass Spectrometry 16, (2002), 69-76.

76

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

75

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, Yufeng Ji, P. Španěl
International Journal of Mass Spectrometry 209 (2001) 81-97.

74

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

73

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. Španěl and D. Smith
Rapid Communications in Mass Spectrometry, 15 (2001) 867-872.

72

Assessment of Rumen Processes Using Selected-Ion-Flow-Tube Mass Spectrometric
Analysis of Rumen Gases
R.J. Dewhurst, R.T. evans, P. Španěl and D. Smith
Dairy Science 84 (2001) 1438-1444

71

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

70

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

69

Product ion distributions and rate coefficients for the attachment reactions of electrons with
CHCl2Br, CCl2Br2 , and CHClBr2
P. Španěl and D. Smith
International Journal of Mass Spectrometry 205 (2001), 243-252.

68

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. Španěl
Rapid Communications in Mass Spectrometry 15, (2001), 25-32.

67

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

66

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.Španěl and D. Smith
Journal of American Mass Spectrometry Society, 11, (2000) 866-875.

65

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

64

Analysis of volatile emissions from porcine faeces and urine using selected ion flow tube
mass spectrometry
D. Smith, P. Španěl, J.B. Jones
Bioresources science and technology, 75 (2000), 27-33.

63

An investigation of the reactions of H3O+ and O2+ with NO, NO2, N2O and HNO2 in
support of SIFT-MS
P. Španěl and D. Smith
Rapid Communications in Mass Spectrometry, 14 (2000), 646-651.

62

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.Španěl and D. Smith
Int. J. Mass Spectrom., 193 (1999), 35-43.

61

Trace gases on the breath of healthy volunteers when fasting and following a protein calorie
meal: a preliminary study
D. Smith, P. Španěl and S. Davies
Journal of Applied Physiology, 87 (1999), 1584-1588.

60

Quantification of breath isoprene using the selected ion flow tube mass spectrometric
analytical method
P. Španěl, S. Davies and D. Smith
Rapid Communications in Mass Spectrometry, 13 (1999), 1733-1738.

59

Book chapter: SIFT applications in mass spectrometry
D. Smith and P. Španěl
in encyclopedia of Spectroscopy and Spectrometry, Mass Spectrometry, ed. by J. Lindon, G.
Trantner and J. Holmes, Academic Press, London, 1999. pp. 2092-2105.

58

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

57

Analysis of formaldehyde in the headspace of urine from bladder and prostate cancer
patients using selected ion flow tube mass spectrometry
P. Španěl, D. Smith, T.A. Holland, W. Al Singary, J.B. Elder
Rapid Communications in Mass Spectrometry, 13 (1999) 1354-1359.

56

Selected Ion Flow Tube Mass Spectrometry of Urine Headspace
D. Smith, P. Španěl, T.A. Holland, W. Al Singari and J.B. Elder
Rapid Communications in Mass Spectrometry, 13 (1999) 724-729.

55

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

54

Selected ion flow tube - mass spectrometry: detection and real-time monitoring of flavours
released by food products
P. Španěl and D. Smith
Rapid Communications in Mass Spectrometry, 13 (1999) 585-597.

53

Selected ion flow tube studies of the reactions H3O+, NO+ and O2+ with some
chloroalkanes and chloroalkenes
P. Španěl and D. Smith
Int. J. Mass Spectrom., 184 (1999) 175-181.

52

The Selected Ion Flow Tube Method for Workplace Analyses of Trace Gases in Air and
Breath: Its Scope, Validation, and Applications
D. Smith, P. Španěl, J.M. Thompson, B. Rajan J. Cocker and P. Rolfe.
Applied occupational and environmental hygiene 13 (1998) 817-823.

51

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

50

The influences of gas and electron temperatures on electron attachment in gas electrical
discharges
P. Španěl and D. Smith.
Czech. J. Phys., 1998, 48 (1998), 1119-1134.

49

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

48

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

47

Quantification of Ammonia in Human Breath by the Selected Ion Flow Tube Analytical
Method using H3O+ and O2+ precursor ions
P. Španěl, S. Davies and D. Smith
Rapid Communications in Mass Spectrometry, 12 (1998) 763-766.

46

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

45

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

44

A coordinated flowing afterglow and crossed beam study of electron attachment to CCl3Br
P. Španěl, D. Smith, S. Matejcik, A. Kiendler and T. D. Märk.
Int. J. Mass Spectrom. Ion Processes, 167/168 (1997), 1-12.

43

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

42

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

41

Quantitative analysis of ammonia on the breath of patients in end-stage renal failure
S. Davies, P. Španěl and D. Smith
Kidney International, 52 (1997) 223-228.

40

Validation of the SIFT technique for trace gas analysis of breath using the syringe injection
technique,
P. Španěl, J. Cocker, B. Rajan and Smith, D.
Ann. Occup. Hyg. 41 (1997) 373-382.

39

Gas phase reactions of some positive ions with atomic and molecular hydrogen at 300K
G.B. Scott, D.A. Fairley, C.G. Freeman, M.J. Mcewan, P. Španěl and D. Smith.
J. Chem. Phys.,106 (1997) 3982.

38

Quantitative analysis of metabolites on the breath of patients with renal failure
Davies S.J., Španěl P, Smith D
J Am Soc Nephrol 7: (1996) 1316-1316.

37

Review electron Attachment to C60 and C70 in the Gas Phase
D. Smith and P. Španěl.
J. Phys. B. 29 (1996) 5199-5212.

36

Radiation from the Reactions of NO+ with Cl- and I-
P. Španěl and D. Smith.
Chem. Phys. Letters, 258 (1996) 477-484.

35

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

34

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

33

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

32

Review Application of ion chemistry and the SIFT technique
to the quantitative analysis of trace gases in air and on breath
P. Španěl and D. Smith.
Int. Rev. Phys. Chem., 15 (1996) 231-271.

31

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. Španěl and D. Smith.
J. Chem. Phys. 104 (1996) 1893-1899.

30

Review. Ions in the Terrestrial Atmosphere and in Interstellar Clouds
D. Smith and P. Španěl.
Mass Spectrometry Reviews, 14 (1995) 255-278.

29

An on-line Langmuir probe technique for the study of afterglow plasmas
P. Španěl
Int. J. Mass Spectrom. Ion Processes 149/150 (1995) 299-310.

28

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

27

The Influence of Ion-Neutral Collisions in the Plasma Sheath on the Ion Current to an
electrostatic Probe: Monte Carlo Calculations
D. Trunec, P. Španěl and D. Smith.
Contrib. Plasma Physics 35 (1995) 203-212.

26

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

25

The varying influences of gas and electron temperatures on the rates of electron
attachment to some selected molecules
P. Španěl, S. Matejcik and D. Smith.
J. Phys. B. 28 (1995) 2941-2957.

24

Formation of SF5- in electron attachment to SF6 swarm and beam results reconciled
D. Smith, P. Španěl, S. Matejcik, A. Stamatovic, T.D. Märk, T. Jaffke and e. Illenberger.
Chem. Phys. Letters 240 (1995) 481-488.

23

Book chapter: Swarm techniques
D. Smith and P. Španěl
in Atomic, Molecular and Optical Physics. Vol. 1: Charged Particles , eds. F.B. Dunning and R.G.
Hulet, Academic Press, 1995, pp. 273-298.

22

Review: Recent studies of electron attachment and electron-ion recombination at thermal
energies
P. Španěl and D. Smith
Plasma Sources Science and Technology 4 (1995) 302-306.

21

The influence of collisions in the space charge sheath on the ion current collected by a
Langmuir probe
P. Španěl, D. Smith, O. Chudacek, P. Kudrna and M Tichy
Contrib. Plasma Physics 35 (1995) 3-14.

20

The reactions of some interstellar ions with benzene, cyclopropane and cyclohexane
P. Španěl, D. Smith and M. Henchman
J. Chem. Phys. 141 (1995) 117-126.

19

Formation and decay of C60- following free electron capture by C60
S. Matejcik, T.D. Märk, P. Španěl and D. Smith, T. Jaffke and e. Illenberger
J. Chem. Phys. 102 (1995) 2516-2521.

18

A Study of electron attachment to C70 using the FALP technique
P. Španěl and D. Smith
Chem. Phys. Letters 229 (1994) 262-266.

17

Book chapter: FALP studies of electron-ion recombination and electron attachment
D. Smith and P. Španěl
in Linking the Gaseous and Condensed Phases of Matter: The Behavior of Slow electrons ed. by
L.G. Chritophorou, e. Illenberger and W. Schmidt, Plenum Press, New York, 1994, pp. 487-494.

16

electron temperature relaxation in afterglow plasmas: diffusion cooling
D. Trunec, P. Španěl and D. Smith
Contrib. to Plasma Phys. 34 (1994) 69-79.

15

The role of H+ and H3+ ions in the degradation of interstellar molecules
D. Smith, P. Španěl and T.J. Millar
Mon. Not. Roy. Astron. Soc. 266 (1994) 31-34.

14

Book chapter: Studies of electron attachment at thermal energies using the FALP
technique
D. Smith and P. Španěl
in Advances in Atomic and Molecular Physics Vol. 32 (1994) pp. 307-343.

13

electron attachment to C60 at low energies
D. Smith, P. Španěl and T.D. Märk
Chem. Phys. Letters 213 (1993) 202-206.

12

Dissociative recombination of H3+: experiment and theory reconciled
D. Smith and P. Španěl.
Chem. Phys. Letters 211 (1993) 454-460.

11

FALP studies of electron attachment at elevated electron temperatures: The influence of
attachment to electron energy distributions
P. Španěl and D. Smith
Int. J. Mass Spectrom. Ion Processes 129 (1993) 193-203.

10

FALP studies of the dissociative recombination coefficients for O2+ and NO+ within the
electron temperature range 300 K to 2000 K
P. Španěl, L. Dittrichova and D. Smith
Int. J. Mass Spectrom. Ion Processes 129 (1993) 183-191.

9

Dissociative recombination of H3+ and some other interstellar ions: a controversy
Resolved
D. Smith and P. Španěl
Int. J. Mass Spectrom. Ion Processes 129 (1993) 163-182.

8

SIFT studies of the reactions of rare gas atomic ions with Cl2 and Br2.
P. Španěl, M. Tichy and D. Smith
Int. J. Mass Spectrom. Ion Processes 129 (1993) 155-162.

7

A further investigation of the reaction of C2H2+ with H2
D. Smith, J. Glosik, V. Skalsky, P. Španěl and W. Lindinger
Int. J. Mass Spectrom. Ion Processes 129 (1993) 145-154.

6

SIFDT studies of reactions of C+, CH+ and CH2+ with HCl and CO2 and CH3+ with HCl
J. Glosik, D. Smith, P. Španěl, W. Freysinger and W. Lindinger
Int. J. Mass Spectrom. Ion Processes 129 (1993) 131-143.

5

The reactions of positive and negative halogen ions with Cl2 and Br2
P. Španěl, M. Tichy and D. Smith
J. Chem. Phys. 98 (1993) 8660-8666.

4

Energy dependences of fast reactions of positive ions X+ with HCl from near thermal to 2
eV center of mass energy (X=H+, H2+, H3+, N+, N2+, Ar+, C+, CH+, CH2+, CH3+, CH4+, CH5+)
J. Glosik, W. Freysinger, A. Hansel, P. Španěl and W. Lindinger
J. Chem. Phys. 98 (1993) 6995-7003.

3

Review: Studies of interstellar ion reactions using the SIFT technique: isotope fractionation
D. Smith and P. Španěl
Accounts of Chemical Research 25 (1992) 414-420.

2

Some reactions of the highly polar ion ArH3+
D. Smith, P. Španěl and D. K. Bedford
Chem. Phys. Letters 191 (1992) 587-591.

1

A SIFT study of the reactions of O+, H+ and HeH+ with Several Molecular Gases at 300 K
D. Smith, P. Španěl and C. A. Mayhew
Int. J. Mass Spectrom. Ion. Processes 117 (1992) 457-473.