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Scientific Articles - PTR-MS Bibliography

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Found 6 results
Title [ Year(Asc)]
Filters: Author is Philipp Sulzer  [Clear All Filters]
[1817] Materić, D., M. Lanza, P. Sulzer, J. Herbig, D. Bruhn, V. Gauci, N. Mason, and C. Turner, "Selective reagent ion-time of flight-mass spectrometry study of six common monoterpenes", International Journal of Mass Spectrometry, jun, 2017.
<p>One of the most common volatile organic compounds (VOCs) group is monoterpenes. Monoterpenes share the molecular formula C10H16, they are usually cyclic and have a pleasant smell. The most common monoterpenes are limonene (present in citrus fruits) and α-pinene (present in conifers&rsquo; resin). Different monoterpenes have different chemical, biological and ecological properties thus it is experimentally very important to be able to differentiate between them in real time. Real time instruments such as Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS), offer a real time solution for monoterpene measurement but at the cost of selectivity resulting in all monoterpenes being seen at the same m/z. In this work we used Selective Reagent Ion-Time of Flight-Mass Spectrometry (SRI/PTR-ToF-MS) in order to explore the differences in ion branching when different ionizations (H3O+, NO+ and O2+) and different drift tube reduced field energies (E/N) were used. We report a comprehensive ion library with many unique features, characteristic for individual monoterpenes.</p>
[1678] Colard, S., G. O'Connell, P. Sulzer, K. Breiev, X. Cahours, and S. S. Biel, "An Experimental Method to Determine the Concentration of Nicotine in Exhaled Breath and its Retention Rate Following Use of an Electronic Cigarette", J Environ Anal Chem, vol. 02, 2015.
<p>An experimental method is presented for the first time to determine the concentration of nicotine in exhaled breath following e-cigarette use in experienced participants and the impact that vaping topography has on the retention rate of nicotine. Aerosols from e-cigarettes containing different concentrations of nicotine were first evaluated by GC-FID to determine the concentration of nicotine delivered per puff versus machine - vaping intensity. These e-cigarettes were then vaped by participants through a cigarette holder attached to a smoking topography analyzer which recorded puff volume and puff duration. This allowed the concentration of nicotine in the aerosol inhaled by the participant during each puff to be determined. A PTR-MS instrument was then used to determine the concentration of nicotine exhaled following each use of the e-cigarette. By dividing this figure by the nicotine concentration delivered enabled its retention rate to be calculated. The principal finding was over 99% of the nicotine was retained by the participants when the e-cigarette aerosol was inhaled and a reduced but still substantial quantity was retained (on average 86%) when the e-cigarette aerosol was held in the mouth only (i.e, no inhalation). In both cases, the nicotine concentrations detected in the exhaled breath were low (range 1.8 - 1786 ppb). The experimental method presented here may be used to determine the concentration of other e-cigarette aerosol constituents in exhaled breath and the retention rate of those constituents which is useful for the evaluation of e-cigarettes from a consumer and bystander perspective.</p>
[1533] Sulzer, P., E. Hartungen, G. Hanel, S. Feil, K. Winkler, P. Mutschlechner, S. Haidacher, R. Schottkowsky, D. Gunsch, H. Seehauser, et al., "A Proton Transfer Reaction-Quadrupole interface Time-Of-Flight Mass Spectrometer (PTR-QiTOF): High speed due to extreme sensitivity", International Journal of Mass Spectrometry, vol. 368, pp. 1-5, 2014.
<p>Here we introduce a new prototype of a Proton Transfer Reaction-Time-Of-Flight Mass Spectrometry (PTR-TOFMS) instrument. In contrast to commercially available PTR-TOFMS devices so far, which utilize a transfer lens system, the novel prototype is equipped with a quadrupole ion guide for the highly effective transfer of ions from the drift tube to the mass spectrometer; hence we call it PTR-QiTOF, whereas &ldquo;Qi&rdquo; stands for &ldquo;Quadrupole interface&rdquo;. This new interface greatly improves the TOF mass resolution because of favorable injection conditions. Depending on whether we optimize the PTR-QiTOF to maximum sensitivity or maximum mass resolution, we get about 6900 and 10,400 m/m mass resolution, respectively, already at m/z 149 (increasing with ascending masses). Furthermore, we increase the pressure in the drift tube from typically 2.2 mbar to 3.8 mbar and the drift tube voltage from 600V to 1000 V. We directly compare the sensitivities of a commercial state-of-the-art PTR-TOFMS instrument to this &ldquo;high pressure&rdquo; PTR-QiTOF prototype and find that these modifications lead to a gain on average by a factor of 25 in terms of sensitivity with a maximum of about 4700 cps/ppbv for dichlorobenzene atm/z 147 for the PTR-QiTOF. This is (to our knowledge) the highest sensitivity ever reported for a PTR-MS instrument, regardless of the employed mass spectrometer. The increased sensitivity also has a very positive effect on the detection limit, which lies now at about 20 pptv with 100ms and 750 ppqv after 1 min integration time.Weprovide data on the linearity of the instrumental response over a concentration range of five orders of magnitude and evaluate the prototype&rsquo;s performance in a real-life test by analyzing the dynamic headspace of a minute amount of trinitrotoluene using only 2 s integration time.</p>
[1467] W. Acton, J., M. Lanza, B. Agarwal, S. Jürschik, P. Sulzer, K. Breiev, A. Jordan, E. Hartungen, G. Hanel, L. Märk, et al., "Headspace analysis of new psychoactive substances using a Selective Reagent Ionisation-Time of Flight-Mass Spectrometer", International Journal of Mass Spectrometry, pp. -, 2013.
<p>The rapid expansion in the number and use of new psychoactive substances presents a significant analytical challenge because highly sensitive instrumentation capable of detecting a broad range of chemical compounds in real-time with a low rate of false positives is required. A Selective Reagent Ionisation-Time of Flight-Mass Spectrometry (SRI-ToF-MS) instrument is capable of meeting all of these requirements. With its high mass resolution (up to m/Δm of 8000), the application of variations in reduced electric field strength (E/N) and use of different reagent ions, the ambiguity of a nominal (monoisotopic) m/z is reduced and hence the identification of chemicals in a complex chemical environment with a high level of confidence is enabled. In this study we report the use of a SRI-ToF-MS instrument to investigate the reactions of H3O+, O2+, NO+ and Kr+ with 10 readily available (at the time of purchase) new psychoactive substances, namely 4-fluoroamphetamine, methiopropamine, ethcathinone, 4-methylethcathinone, N-ethylbuphedrone, ethylphenidate, 5-MeO-DALT, dimethocaine, 5-(2-aminopropyl)benzofuran and nitracaine. In particular, the dependence of product ion branching ratios on the reduced electric field strength for all reagent ions was investigated and is reported here. The results reported represent a significant amount of new data which will be of use for the development of drug detection techniques suitable for real world scenarios.</p>
[1464] Edtbauer, A., E. Hartungen, A. Jordan, G. Hanel, J. Herbig, S. Jürschik, M. Lanza, K. Breiev, L. Märk, and P. Sulzer, "Theory and practical examples of the quantification of CH4, CO, O2, and \{CO2\} with an advanced proton-transfer-reaction/selective-reagent-ionization instrument (PTR/SRI-MS)", International Journal of Mass Spectrometry, pp. -, 2013.
<p>Abstract Following up the first introduction of an advanced proton-transfer-reaction mass spectrometry (PTR-MS) instrument in 2012, which is capable of utilizing H3O+, NO+, O2+, and Kr+, respectively, for chemical ionization and subsequent detection of a broad variety of compound classes, here we present calculations of the best suitable mixing ratios between the sample and buffer gas in Kr+ mode, as well as two possible applications of such an instrument in indoor air analysis and engine exhaust studies. Due to secondary reactions in the drift tube the admixing of a buffer gas with a higher recombination energy than Kr+ is inevitable. The calculations show that though a dilution ratio of 1:40 (sample : buffer gas) results in the highest sensitivity, for accurate substance quantification a dilution ratio of at least 1:500 is necessary. By applying this theoretical knowledge to two practical examples, we find that the quantification of CH4, CO, O2, and CO2, respectively, is well within the range of the expected concentrations. We conclude that such an instrument can be of utmost benefit for researchers working for example in environmental research, because in H3O+ mode volatile organic compounds can be quantified with very high sensitivity and low detection limits and by means of switching the reagent ions to Kr+ additional instrumentation for quantification of (inorganic) pollutants becomes virtually obsolete.</p>
[Hartungen2012] Hartungen, E., L. Märk, C. Lindinger, A. Jordan, S. Juerschik, P. Sulzer, and T. D. Märk, "Proton-Transfer-Reaction Mass Spectrometry (PTR-MS) with Real-Time Nosespace Air Sampling-an Essential Tool for Food and Flavor Analysis", Poster, 2012.

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Selected PTR-MS related Reviews

F. Biasioli, C. Yeretzian, F. Gasperi, T. D. Märk: PTR-MS monitoring of VOCs and BVOCs in food science and technology, Trends in Analytical Chemistry 30 (7) (2011).

J. de Gouw, C. Warneke, T. Karl, G. Eerdekens, C. van der Veen, R. Fall: Measurement of Volatile Organic Compounds in the Earth's Atmosphere using Proton-Transfer-Reaction Mass Spectrometry. Mass Spectrometry Reviews, 26 (2007), 223-257.

W. Lindinger, A. Hansel, A. Jordan: Proton-transfer-reaction mass spectrometry (PTR–MS): on-line monitoring of volatile organic compounds at pptv levels, Chem. Soc. Rev. 27 (1998), 347-375.


Lists with PTR-MS relevant publications of the University of Innsbruck can be found here: Atmospheric and indoor air chemistry, IMR, Environmental Physics and Nano-Bio-Physics


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