Abstract
Standardisation of breath sampling is important for application of breath analysis in clinical settings. By studying the effect of room airing on indoor and breath analytes and by generating time series of room air with different sampling intervals we sought to get further insights into room air metabolism, to detect the relevance of exogenous VOCs and to make conclusions about their consideration for the interpretation of exhaled breath. Room air and exhaled breath of a healthy subject were analysed before and after room airing. Furthermore a time series of room air with doors and windows closed was taken over 84 h by an automatic sampling every 180 min. A second times series studied room air analytes over 70 h with samples taken every 16.5 min. For breath and room air measurements an IMS coupled to a multi-capillary column (IMS/MCC) [Bio-Scout® - B&S Analytik GmbH, Dortmund, Germany] was used. The peaks were characterized using the Software Visual Now (B&S Analytik, Dortmund Germany) and identified using the software package MIMA (version 1.1, provided by the Max Planck Institute for Informatics, Saarbrücken, Germany) and the database 20160426_SubstanzDbNIST_122 (B & S Analytik GmbH, Dortmund, Germany). In the morning 4 analytes (Decamethylcylopentasiloxane [541-02-6]; Pentan-2-one [107-87-9] – Dimer; Hexan-1-al [66-25-1]; Pentan-2-one [107-87-9]) – Monomer showed high intensities in the room air and exhaled breath. They were significantly but not equally reduced by room airing. The time series about 84 h showed a time dependent decrease of analytes (limonen-monomer and -dimer; Decamethylcylopentasiloxane, Butan-1-ol, Butan-1-ol) as well as increase (Pentan-2-one [107-87-9] – Dimer). Shorter sampling intervals exhibited circadian variations of analyte concentrations for many analytes. Breath sampling in the morning needs room airing before starting. Then the variation of the intensity of indoor analytes can be kept small. The time series of indoor analytes show, that their intensities have a different behaviour, with time dependent declines, constant increases and circadian variations, dependent on room airing. This has implications on the breath sampling procedure and the intrepretation of exhaled breath.
Similar content being viewed by others
Explore related subjects
Discover the latest articles, news and stories from top researchers in related subjects.References
Amann A, Spanel P, Smith D (2007) Breath analysis: the approach towards clinical applications. Mini Rev Med Chem 7:115–129
Buszewski B, Ulanowska A, Ligor T, Denderz N, Amann A (2009) Analysis of exhaled breath from smokers, passive smokers and non-smokers by solid-phase microextraction gas chromatography/mass spectrometry. Biomed Chromatogr 23:551–556
Jünger M, Bödeker B, Baumbach JI (2010) Peak assignment in multi-capillary column - ion mobility spectrometry using comparative studies with gas chromatography - mass spectrometry for exhaled breath analysis. Anal Bioanal Chem 396:471–482
Kushch I, Schwarz K, Schwentner L, Baumann B, Dzien A, Schmid A, Unterkofler K, Gastl G, Spaněl P, Smith D, Amann A (2008) Compounds enhanced in a mass spectrometric profile of smokers’ exhaled breath versus nonsmokers as determined in a pilot study using PTR-MS. J Breath Res 2(2):026002
Ligor T, Ligor M, Amann A, Ager C, Bachler M, Dzien A, Buszewski B (2008) The analysis of healthy volunteers’ exhaled breath by the use of solid-phase microextraction and GC-MS. J Breath Res 2(4):046006
Mieth M, Schubert JK, Groger T, Sabel B, Kischkel S, Fuchs P, Hein D, Zimmermann R, Miekisch W (2010) Automated needle trap heart-cut GC/MS and needle trap comprehensive two-dimensional GC/TOF-MS for breath gas analysis in the clinical environment. Anal Chem 82:2541–2551
Beauchamp J, Kirsch F, Buettner A (2010) Real-time breath gas analysis for pharmacokinetics: monitoring exhaled breath by online proton-transfer-reaction mass spectrometry after ingestion of eucalyptol-containing capsules. J Breath Res 4:026006
Hansel A, Jordan A, Holzinger R (1995) Proton transfer reaction mass spectrometry: on-line trace gas analysis at the ppb level. Int. J. Mass Spectrom. Ion Proc 149:609–619
Herbig J, Mueller M, Schallhart S, Titzmann T, Graus M, Hansel A (2009) On-line breath analysis with PTR-TOF. J Breath Res 3(2):027004
Warneke C, Kuczynski J, Hansel A (1996) Proton transfer reaction mass spectro-metry (PTR-MS) propanol in human breath. Int J Mass Spectrom Ion Process 154:61–70
Seeley MJ, Hu W-P, Scotter JM, Storer MK, Shaw GM (2009) In vitro SIFT-MS validation of a breath frac-tionating device using a model VOC and ventilation system. J Breath Res 3(1):016001
Smith D, Diskin AM, Ji Y, Spanel P (2001) 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. Int J Mass Spectrom 209:81–97
Smith D, Spanel P, Enderby B, Lenney W, Turner C, Davies SJ (2010) 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(1):017101
Smith D, Turner C, Spanel P (2007) Volatile metabolites in the exhaled breath of healthy volunteers: their levels and distributions. J Breath Res 1(1):014004
Spanel P, Dryahina K, Smith D (2007) The concentration distributions of some metabolites in the exhaled breath of young adults. J Breath Res 1(2):026001
Spanel P, Smith D (2008) Quantification of trace levels of the potential cancer biomarkers formaldehyde, acetaldehyde and propanol in breath by SIFT-MS. J Breath Res 2(4):046003
Turner C, Welch S, Bellingan G, Singer M, Spanel P, Smith D (2005) Analysis of breath using SIFT-MS: a comparison of the breath composition of healthy volunteers and seriously-ill ICU patients. In: Ammann A, Smith D (eds) Breath analysis for clinical diagnosis and therapeutic monitoring. World Scientific Publishing Co. Ptd. Ltd, pp 317–326
Lee JH, Hwang SM, Lee DW, Heo GS (2002) Determination of volatile organic compounds (VOCs) using Tedlar bag/solid-phase microextraction/gas chromato-graphy/mass spectrometry (SPME/GC/MS) in ambient and workplace air. Bull Kor Chem Soc 23:488–496
Poli D, Goldoni M, Corradi M, Acampa O, Carbognani P, Internullo E, Casalini A, Mutti A (2010) Determination of aldehydes in exhaled breath of patients with lung cancer by means of on-fiber-derivatisation SPME-GC/ MS. J Chromatogr B Analyt Technol Biomed Life Sci 878:2643–2651
Deng CH, Zhang J, Yu XF, Zhang W, Zhang XM (2004) Determination of acetone in human breath by gas chromatography-mass spectrometry and solid-phase micro-extraction with on-fiber derivatization. J Chromatogr B 810:269–275
Ligor M, Ligor T, Bajtarevic A, Ager C, Pienz M, Klieber M, Denz H, Fiegl M, Hilbe W, Weiss W, Lukas P, Jamnig H, Hackl M, Buszewski B, Miekisch W, Schubert J, Amann A (2009) Determination of volatile organic compounds in exhaled breath of patients with lung cancer using solid phase microextraction and gas chromatography mass spectrometry. Clin Chem Lab Med 47:550–560
Bruce L, Balch T, Veloso M (2000) Fast and inexpensive color image segmentation for interactive robots. In: Proceedings of IROS-2000, pp 2061–2066
Cheng ZJ, Warwick G, Yates DH, Thomas PS (2009) An electronic nose in the discrimination of breath from smokers and non-smokers: a model for toxin exposure. J Breath Res 3(3):036003
Dragonieri S, Annema JT, Schot R, van der MPC S, Spanevello A, Carratu P, Resta O, Rabe KF, Sterk PJ (2009) An electronic nose in the discrimination of patients with non-small cell lung cancer and COPD. Lung Cancer 64:166–170
Horvath I, Lazar Z, Gyulai N, Kollai M, Losonczy G (2009) Exhaled biomarkers in lung cancer. Eur Respir J 34:261–275
Dragonieri S, Schot R, Mertens BJ, Le Cessie S, Gauw SA, Spanevello A, Resta O, Willard NP, Vink TJ, Rabe KF, Bel EH, Sterk PJ (2007) An electronic nose in the discrimination of patients with asthma and controls. J Allergy Clin Immunol 120:856–862
Baumbach JI, Vautz W, Ruzsanyi V, Freitag L (2005) Metabolites in human breath: ion mobility spectrometers as diagnostic tools for lung diseases. In: Ammann A, Smith D (eds) Breath analysis for clinical diagnosis and therapeutic monitoring. World Scientific Publishing Co. Ptd. Ltd, pp 53–66
Ruzsanyi V, Baumbach JI, Sielemann S, Litterst P, Westhoff M, Freitag L (2005) Detection of human metabolites using multi-capillary columns coupled to ion mobility spectrometers. J Chromatogr A 1084:145–151
Westhoff M, Litterst P, Freitag L, Baumbach JI (2007) Ion mobility spectrometry in the diagnosis of sarcoidosis: results of a feasibility study. J Physiol Pharmacol 58:739–751
Bunkowski A, Bödeker S, Bader S, Westhoff M, Litterst P, Baumbach JI (2009) MCC/IMS signals in human breath related to sarcoidosis—results of a feasibility study using an automated peak finding procedure. J Breath Res 3:046001
Vautz W, Nolte J, Fobbe R, Baumbach JI (2009) Breath analysis—performance and potential of ion mobility spectrometry. J Breath Res 3(3):036004
Westhoff M, Litterst P, Freitag L, Urfer W, Bader S, Baumbach JI (2009) Ion mobility spectrometry for the detection of volatile organic compounds in exhaled breath of patients with lung cancer: results of a pilot study. Thorax 64:744–748
Perl T, Bödecker B, Jünger M, Nolte J, Vautz W (2010) Alignment of retention time obtained from multicapillary column gas chromatography used for VOC analysis with ion mobility spectrometry. Anal Bioanal Chem 397:2385–2394
Baumbach JI, Eiceman GA (1999) Ion mobility spectrometry: arriving on site and moving beyond a low profile. Appl Spectrosc 53:338 A–355 A
Eiceman GA, Karpas Z (1994) Ion mobility spectrometry. CRC Press, Boca Raton, Ann Arbor, London, Tokyo, pp 1–228
Wallace L, Buckley T, Pellizzari E, Gordon S (1996) Breath measurements as volatile organic compound biomarkers. Environ Health Perspect 104(Suppl 5):861–869
Phillips M, Greenberg J, Awad J (1994) Metabolic and environmental origins of volatile organic compounds in breath. J Clin Pathol 47:1052–1053
Phillips M (1997) Method for the collection and assay of volatile organic compounds in breath. Anal Biochem 247:272–278
Horváth I, Barnes PJ, Loukides S, Sterk PJ, Högman M, Olin AC, Amann A, Antus B, Baraldi E, Bikov A, Boots AW, Bos LD, Brinkman P, Bucca C, Carpagnano GE, Corradi M, Cristescu S, de Jongste JC, Dinh-Xuan AT, Dompeling E, Fens N, Fowler S, Hohlfeld JM, Holz O, Jöbsis Q, Van De Kant K, Knobel HH, Kostikas K, Lehtimäki L, Lundberg J, Montuschi P, Van Muylem A, Pennazza G, Reinhold P, Ricciardolo FLM, Rosias P, Santonico M, van der Schee MP, van Schooten FJ, Spanevello A, Tonia T, Vink TJ (2017) A European Respiratory Society technical standard: exhaled biomarkers in lung disease. Eur Respir J 49:1600965
Baumbach JI, Westhoff M (2006) Ion mobility spectrometry to detect lung cancer and airway infections. Spectrosc Eur 18:22–27
Baumbach JI (2006) Process analysis using ion mobility spectrometry. Anal Bioanal Chem 384(1):059–1070
Baumbach JI (2009) Ion mobility spectrometry coupled with multi-capillary columns for metabolic profiling of human breath. J Breath Res 3:1–16
Bödeker B, Baumbach JI (2009) Analytical description of IMSsignals. Int J Ion Mobil Spectrom 12:103–108
Bödeker B, Vautz W, Baumbach JI (2008) Peak finding and referencing in MCC/IMS - data. Int J Ion Mobil Spectrom 11:83–88
Bödeker B, Vautz W, Baumbach JI (2008) Peak comparison in MCC/IMS-data: searching for potential biomarkers in human breath data. Int J Ion Mobil Spectrom 11:89–93
Bödeker B, Vautz W, Baumbach JI (2008) Visualisation of MCC/IMS – data. Int J Ion Mobil Spectrom 11:77–82
Maurer F, Wolf A, Fink T, Rittershofer B, Heim N, Volk T, Baumbach JI, Kreuer S (2014) Wash-out of ambient air contaminations for breath measurements. J Breath Res 8(2):027107
Ligor M, Ligor T, Bajtarevic A, Ager C, Pienz M, Klieber M, Denz H, Fiegl M, Hilbe W, Weiss W, Lukas P, Jamnig H, Hackl M, Buszewski B, Miekisch W, Schubert J, Amann A (2009) Determination of volatile organic compounds in exhaled breath of patients with lung cancer using solid phase microextraction and gas chromatography mass spectrometry. Clin Chem Lab Med 47:550–560
Bajtarevic A, Ager C, Pienz M, Klieber M, Schwarz K, Ligor M, Ligor T, Filipiak W, Denz H, Fiegl M (2009) Noninvasive detection of lung cancer by analysis of exhaled breath. BMC Cancer 9:348
Bunkowski A, Maddula S, Davies AN, Westhoff M, Litterst P, Bödecker B, Baumbach JI (2010) One-year time series of investigations of analytes within human breath using ion mobility spectrometry. Int J Ion Mobil Spectrom 13:141–148
Filipiak W, Filipiak A, Sponring A, Schmid T, Zelger B, Ager C, Klodzinska E, Denz H, Pizzini A, Lucciarini P, Jamnig H, Troppmair J, Amann A (2014) Comparative analyses of volatile organic compounds (VOCs) from patients, tumors and transformed cell lines for the validation of lung cancer-derived breath markers. J Breath Res 8(2):027111
Phillips M, Altorki N, Austin JH, Cameron RB, Cataneo RN, Greenberg J, Kloss R, Maxfield RA, Munawar MI, Pass HI, Rashid A, Rom WN, Schmitt P (2007) Prediction of lung cancer using volatile biomarkers in breath. Cancer Biomark 3:95–109
Phillips M, Cataneo RN, Cummin AR, Gagliardi AJ, Gleeson K, Greenberg J, Maxfield RA, Rom WN (2013) Detection of lung cancer with volatile markers in the breath. Chest 123:2115–2123
Fuchs P, Loeseken C, Schubert JK, Miekisch W (2010) Breath gas aldehydes as biomarkers of lung cancer. Int J Cancer 126:2663–2670
Phillips CO, Syed Y, Parthaláin NM, Zwiggelaar R, Claypole TC, Lewis KE (2012) Machine learning methods on exhaled volatile organic compounds for distinguishing COPD patients from healthy controls. J Breath Res 6(3):036003
Machado RF, Laskowski D, Deffenderfer O, Burch T, Zheng S, Mazzone PJ, Mekhail T, Jennings C, Stoller JK, Pyle J, Duncan J, Dweik RA, Erzurum SC (2005) Detection of lung cancer by sensor array analyses of exhaled breath. Am J Respir Crit Care Med 171:1286–1291
Van Berkel JJ, Dallinga JW, Möller GM, Godschalk RW, Moonen EJ, Wouters EF, Van Schooten FJ (2010) A profile of volatile organic compounds in breath discriminates COPD patients from controls. Respir Med 104:557–563
Miekisch W, Schubert JK, Noeldge-Schomburg GF (2004) Diagnostic potential of breath analysis—focus on volatile organic compounds. Clin Chim Acta 347:25–39
Bödecker B, Davies AN, Maddula S, Baumbach JI (2010) Biomarker validation—room air variation during human breath investigations. Int J Ion Mobil Spectrom 13:177–184
Westhoff M, Litterst P, Bödeker B, Baumbach JI (2009) Breath analysis by MCC/IMS in obstructive sleep apnoea. Somnologie 63(Suppl. 2)
Capone S, Tufariello M, Forleo A, Longo V, Giampetruzzi L, Radogna AV, Casino F, Siciliano P (2018) Chromatographic analysis of VOC patterns in exhaled breath from smokers and nonsmokers. Biomed Chromatogr 32(4). https://doi.org/10.1002/bmc.4132
Acknowledgements
The authors thank Mrs. B. Obertrifter, Lung Clinic Hemer, for her valuable technical assistance in MCC/IMS studies.
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
Conflict of interest
JIBB declared to be an employee of a company producing spectrometers used. There are no other conflicts of interest.
Additional information
Publisher’s note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and permissions
About this article
Cite this article
Westhoff, M., Rickermann, M., Franieck, E. et al. Time series of indoor analytes and influence of exogeneous factors on interpretation of breath analysis using ion mobility spectrometry (MCC/IMS). Int. J. Ion Mobil. Spec. 22, 39–49 (2019). https://doi.org/10.1007/s12127-019-00243-1
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12127-019-00243-1