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J Breath Res

Title:		Studies pertaining to the monitoring of volatile halogenated anaesthetics in breath by proton transfer reaction mass spectrometry
Author(s):		Malaskova M; Olivenza-Leon D; Chellayah PD; Martini J; Lederer W; Ruzsanyi V; Unterkofler K; Mochalski P; Mark TD; Watts P; Mayhew CA;
Address:		"Institute for Breath Research, Leopold-Franzens-Universitat Innsbruck, Rathausplatz 4, A 6850, Dornbirn, Austria"
Journal Title:		J Breath Res
Year:		2020
Volume:		20200214
Issue:		2
Page Number:		26004 -
DOI:		10.1088/1752-7163/ab5e30
ISSN/ISBN:		1752-7163 (Electronic) 1752-7155 (Linking)
Abstract:		"Post-operative isoflurane has been observed to be present in the end-tidal breath of patients who have undergone major surgery, for several weeks after the surgical procedures. A major new non-controlled, non-randomized, and open-label approved study will recruit patients undergoing various surgeries under different inhalation anaesthetics, with two key objectives, namely (1) to record the washout characteristics following surgery, and (2) to investigate the influence of a patient's health and the duration and type of surgery on elimination. In preparation for this breath study using proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS), it is important to identify first the analytical product ions that need to be monitored and under what operating conditions. In this first paper of this new research programme, we present extensive PTR-TOF-MS studies of three major anaesthetics used worldwide, desflurane (CF(3)CHFOCHF(2)), sevoflurane ((CF(3))(2)CHOCH(2)F), and isoflurane (CF(3)CHClOCHF(2)) and a fourth one, which is used less extensively, enflurane (CHF(2)OCF(2)CHFCl), but is of interest because it is an isomer of isoflurane. Product ions are identified as a function of reduced electric field (E/N) over the range of approximately 80 Td to 210 Td, and the effects of operating the drift tube under 'normal' or 'humid' conditions on the intensities of the product ions are presented. To aid in the analyses, density functional theory (DFT) calculations of the proton affinities and the gas-phase basicities of the anaesthetics have been determined. Calculated energies for the ion-molecule reaction pathways leading to key product ions, identified as ideal for monitoring the inhalation anaesthetics in breath with a high sensitivity and selectivity, are also presented"
Keywords:		"Anesthetics, Inhalation/*analysis Breath Tests/*methods Density Functional Theory Desflurane/analysis Electricity Female Humans Hydrocarbons, Halogenated/*analysis Ions Isoflurane/analysis Male Mass Spectrometry/*methods *Protons Sevoflurane/analysis Sign;"
Notes:		"MedlineMalaskova, Michaela Olivenza-Leon, David Chellayah, Prema D Martini, Judith Lederer, Wolfgang Ruzsanyi, Veronika Unterkofler, Karl Mochalski, Pawel Mark, Tilmann D Watts, Peter Mayhew, Chris A eng Research Support, Non-U.S. Gov't England 2019/12/05 J Breath Res. 2020 Feb 14; 14(2):026004. doi: 10.1088/1752-7163/ab5e30"