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Scientific Articles - PTR-MS Bibliography

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[Sulzer2012a] Sulzer, P., S. Juerschik, B. Agarwal, T. Kassebacher, E. Hartungen, A. Edtbauer, F. Petersson, J. Warmer, G. Holl, D. Perry, et al., "Designer Drugs and Trace Explosives Detection with the Help of Very Recent Advancements in Proton-Transfer-Reaction Mass Spectrometry (PTR-MS)", Future Security: Springer, pp. 366–375, 2012.
At the "Future Security 2011" we presented an overview of our studies on the "Detection and Identification of Illicit and Hazardous Substances with Proton-Transfer-Reaction Mass Spectrometry (PTR-MS)" including first results on explosives, chemical warfare agents and illicit and prescribed drugs detection. Since then we have considerably extended these preliminary studies to the detection of defined traces of some of the most common explosives, namely TNT, PETN, TATP, and DATP deposited into aluminum foam bodies, and to the detection of a number of novel and widely unknown designer drugs: ethylphenidate, 4-fluoroamphetamine and dimethocaine. Moreover, we have dramatically improved our time-of-flight based PTR-MS instruments by substantially increasing their sensitivity and hence lowering the detection limit, making them even more suitable and applicable to threat agents with extremely low vapour pressures. Data from measurements on certified gas standards are presented in order to underline these statements. The data demonstrate that, in comparison to the first generation instruments, a gain of one order of magnitude in terms of sensitivity and detection limit has been obtained.
[Sulzer2012c] Sulzer, P., A. Edtbauer, E. Hartungen, S. Juerschik, A. Jordan, G. Hanel, S. Feil, S. Jaksch, L. Märk, and T. D. Märk, "From conventional proton-transfer-reaction mass spectrometry (PTR-MS) to universal trace gas analysis", International Journal of Mass Spectrometry, vol. 321: Elsevier, pp. 66–70, 2012.
We present here a slightly modified PTR-MS instrument that is not only capable to ionize trace compounds in air via proton-transfer-reactions (PTR) but is also able to ionize via charge-transfer-reactions (CTR) with help of reagent ions (Kr+ in particular) possessing higher ionization energies than common air constituents. This means that with minor adaptations a common PTR-MS instrument can be used for the analysis of nearly all available substance classes by using both PTR and/or CTR ionization. Especially in environmental research, the field of application where PTR-MS is used most widely, now not only trace volatile organic compounds (benzene, toluene, etc.) but additionally also very important (inorganic) substances, such as CO, CO2, CH4, NOx, and SO2, can be detected and quantified with the same instrument. As all ionizing agents are produced in a hollow cathode discharge ion source with good purity no additional mass filter is needed for reagent ion selection (as in other analytical methods employed) and remaining reagent ion impurities can be clearly distinguished from isobaric sample compounds due to the high mass resolution of the time-of-flight mass spectrometer used in the present PTR-MS instrument (PTR-TOF 8000). We present data obtained with various gas standards ranging from a “classical” PTR-MS aromatics mixture to samples containing molecules possessing ionization energies all the way up to 14 eV (CO).
[Kassebacher2013] Kassebacher, T., P. Sulzer, S. Juerschik, E. Hartungen, A. Jordan, A. Edtbauer, S. Feil, G. Hanel, S. Jaksch, L. Maerk, et al., "Investigations of chemical warfare agents and toxic industrial compounds with proton-transfer-reaction mass spectrometry for a real-time threat monitoring scenario.", Rapid Commun Mass Spectrom, vol. 27, no. 2: Austria., pp. 325–332, Jan, 2013.
Security and protection against terrorist attacks are major issues in modern society. One especially challenging task is the monitoring and protection of air conditioning and heating systems of buildings against terrorist attacks with toxic chemicals. As existing technologies have low selectivity, long response times or insufficient sensitivity, there is a need for a novel approach such as we present here.We have analyzed various chemical warfare agents (CWAs) and/or toxic industrial compounds (TICs) and related compounds, namely phosgene, diphosgene, chloroacetone, chloroacetophenone, diisopropylaminoethanol, and triethyl phosphate, utilizing a high-resolution proton-transfer-reaction time-of-flight mass spectrometry (PTR-TOFMS) instrument with the objective of finding key product ions and their intensities, which will allow a low-resolution quadrupole mass spectrometry based PTR-MS system to be used with high confidence in the assignment of threat agents in the atmosphere.We obtained high accuracy PTR-TOFMS mass spectra of the six compounds under study at two different values for the reduced electric field in the drift tube (E/N). From these data we have compiled a table containing product ions, and isotopic and E/N ratios for highly selective threat compound detection with a compact and cost-effective quadrupole-based PTR-MS instrument. Furthermore, using chloroacetophenone (tear gas), we demonstrated that this instrument's response is highly linear in the concentration range of typical Acute Exposure Guideline Levels (AEGLs).On the basis of the presented results it is possible to develop a compact and cost-effective PTR-QMS instrument that monitors air supply systems and triggers an alarm as soon as the presence of a threat agent is detected. We hope that this real-time surveillance device will help to seriously improve safety and security in environments vulnerable to terrorist attacks with toxic chemicals.
[Maerk2012] Märk, L., A. Jordan, C. Lindinger, E. Hartungen, A. Edtbauer, S. Juerschik, P. Sulzer, and T. D. Märk, "More than one order of magnitude higher sensitivities with Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry", : IONICON Analytik, 2012.
[Hartungen2013] Hartungen, E., S. Juerschik, A. Jordan, A. Edtbauer, S. Feil, G. Hanel, H. Seehauser, S. Haidacher, R. Schottkowsky, L. Märk, et al., "Proton transfer reaction-mass spectrometry: fundamentals, recent advances and applications", The European Physical Journal Applied Physics, vol. 61, no. 02: Cambridge Univ Press, pp. 24303, 2013.
Proton transfer reaction-mass spectrometry (PTR-MS) offers many advantages for trace gas analysis, including no sample preparation, real-time analysis, high selectivity and sensitivity, ultra-low detection limits and very short response times. These characteristic features have made it an ideal tool for many applications in science, technology and society. Here we will discuss recent developments, in particular advances concerning sensitivity, selectivity and general applicability.
[Jordan2013] Jordan, A., E. Hartungen, A. Edtbauer, S. Feil, G. Hanel, P. Sulzer, S. Juerschik, S. Jaksch, L. Maerk, and T. D. Maerk, "Ultra-high sensitivity Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-TOFMS)", CONFERENCE SERIES, pp. 80, 2013.

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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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