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Scientific Articles - PTR-MS Bibliography

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Filters: Author is Weschler, Charles J.  [Clear All Filters]
[Wisthaler2010] Wisthaler, A., and C. J. Weschler, "Reactions of ozone with human skin lipids: sources of carbonyls, dicarbonyls, and hydroxycarbonyls in indoor air.", Proc Natl Acad Sci U S A, vol. 107, no. 15: Institut fuer Ionenphysik und Angewandte Physik, Leopold-Franzens-Universitaet Innsbruck, A-6020 Innsbruck, Austria., pp. 6568–6575, Apr, 2010.
This study has used proton transfer reaction-mass spectrometry (PTR-MS) for direct air analyses of volatile products resulting from the reactions of ozone with human skin lipids. An initial series of small-scale in vitro and in vivo experiments were followed by experiments conducted with human subjects in a simulated office. The latter were conducted using realistic ozone mixing ratios (approximately 15 ppb with occupants present). Detected products included mono- and bifunctional compounds that contain carbonyl, carboxyl, or alpha-hydroxy ketone groups. Among these, three previously unreported dicarbonyls have been identified, and two previously unreported alpha-hydroxy ketones have been tentatively identified. The compounds detected in this study (excepting acetone) have been overlooked in surveys of indoor pollutants, reflecting the limitations of the analytical methods routinely used to monitor indoor air. The results are fully consistent with the Criegee mechanism for ozone reacting with squalene, the single most abundant unsaturated constituent of skin lipids, and several unsaturated fatty acid moieties in their free or esterified forms. Quantitative product analysis confirms that squalene is the major scavenger of ozone at the interface between room air and the human envelope. Reactions between ozone and human skin lipids reduce the mixing ratio of ozone in indoor air, but concomitantly increase the mixing ratios of volatile products and, presumably, skin surface concentrations of less volatile products. Some of the volatile products, especially the dicarbonyls, may be respiratory irritants. Some of the less volatile products may be skin irritants.
[Wisthaler2005] Wisthaler, A., G. Tamás, D. P. Wyon, P. Strøm-Tejsen, D. Space, J. Beauchamp, A. Hansel, T. D. Maerk, and C. J. Weschler, "Products of ozone-initiated chemistry in a simulated aircraft environment.", Environ Sci Technol, vol. 39, no. 13: International Centre for Indoor Environment and Energy, Technical University of Denmark (DTU), DK-2800 Kgs. Lyngby, Denmark., pp. 4823–4832, Jul, 2005.
We used proton-transfer-reaction mass spectrometry (PTR-MS) to examine the products formed when ozone reacted with the materials in a simulated aircraft cabin, including a loaded high-efficiency particulate air (HEPA) filter in the return air system. Four conditions were examined: cabin (baseline), cabin plus ozone, cabin plus soiled T-shirts (surrogates for human occupants), and cabin plus soiled T-shirts plus ozone. The addition of ozone to the cabin without T-shirts, at concentrations typically encountered during commercial air travel, increased the mixing ratio (v:v concentration) of detected pollutants from 35 ppb to 80 ppb. Most of this increase was due to the production of saturated and unsaturated aldehydes and tentatively identified low-molecular-weight carboxylic acids. The addition of soiled T-shirts, with no ozone present, increased the mixing ratio of pollutants in the cabin air only slightly, whereas the combination of soiled T-shirts and ozone increased the mixing ratio of detected pollutants to 110 ppb, with more than 20 ppb originating from squalene oxidation products (acetone, 4-oxopentanal, and 6-methyl-5-hepten-2-one). For the two conditions with ozone present, the more-abundant oxidation products included acetone/propanal (8-20 ppb), formaldehyde (8-10 ppb), nonanal (approximately 6 ppb), 4-oxopentanal (3-7 ppb), acetic acid (approximately 7 ppb), formic acid (approximately 3 ppb), and 6-methyl-5-hepten-2-one (0.5-2.5 ppb), as well as compounds tentatively identified as acrolein (0.6-1 ppb) and crotonaldehyde (0.6-0.8 ppb). The odor thresholds of certain products were exceeded. With an outdoor air exchange of 3 h(-1) and a recirculation rate of 20 h(-1), the measured ozone surface removal rate constant was 6.3 h(-1) when T-shirts were not present, compared to 11.4 h(-1) when T-shirts were present.

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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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