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Scientific Articles - PTR-MS Bibliography

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Found 68 results
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2005
[Mestres2005] Mestres, M., N. Moran, A. Jordan, and A. Buettner, "Aroma release and retronasal perception during and after consumption of flavored whey protein gels with different textures. 1. in vivo release analysis.", J Agric Food Chem, vol. 53, no. 2: Deutsche Forschungsanstalt fuer Lebensmittelchemie, Lichtenbergstrasse 4, D-85748 Garching, Germany., pp. 403–409, Jan, 2005.
Link: http://pubs.acs.org/doi/abs/10.1021/jf048596n
Abstract
The influence of gel texture on retronasal aroma release during mastication was followed by means of real-time proton-transfer reaction mass spectrometry and compared to sensory perception of overall aroma intensity. A clear correlation was found between individual-specific consumption patterns and the respective physicochemical release patterns in vivo. A modified data analysis approach was used to monitor the aroma changes during the mastication process. It was found that the temporal resolution of the release profile played an important role in adequate description of the release processes. On the basis of this observation, a hypothesis is presented for the observed differences in intensity rating.
[DAnna2005] D'Anna, B., A. Wisthaler, Øyvind. Andreasen, A. Hansel, J. Hjorth, N. R. Jensen, C. J. Nielsen, Y. Stenstrøm, and J. Viidanoja, "Atmospheric chemistry of C3-C6 cycloalkanecarbaldehydes.", J Phys Chem A, vol. 109, no. 23: Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway. barbara.danna@kjemi.uio.no, pp. 5104–5118, Jun, 2005.
Link: http://dx.doi.org/10.1021/jp044495g
Abstract
The rate coefficients for the gas phase reaction of NO3 and OH radicals with a series of cycloalkanecarbaldehydes have been measured in purified air at 298 +/- 2 K and 760 +/- 10 Torr by the relative rate method using a static reactor equipped with long-path Fourier transform infrared (FT-IR) detection. The values obtained for the OH radical reactions (in units of 10(-11) cm3 molecule(-1) s(-1)) were the following: cyclopropanecarbaldehyde, 2.13 +/- 0.05; cyclobutanecarbaldehyde, 2.66 +/- 0.06; cyclopentanecarbaldehyde, 3.27 +/- 0.07; cyclohexanecarbaldehyde, 3.75 +/- 0.05. The values obtained for the NO3 radical reactions (in units of 10(-14) cm3 molecule(-1) s(-1)) were the following: cyclopropanecarbaldehyde, 0.61 +/- 0.04; cyclobutanecarbaldehyde, 1.99 +/- 0.06; cyclopentanecarbaldehyde, 2.55 +/- 0.10; cyclohexanecarbaldehyde, 3.19 +/- 0.12. Furthermore, the reaction products with OH radicals have been investigated using long-path FT-IR spectroscopy and proton-transfer-reaction mass spectrometry (PTR-MS). The measured carbon balances were in the range 89-97%, and the identified products cover a wide spectrum of compounds including nitroperoxycarbonyl cycloalkanes, cycloketones, cycloalkyl nitrates, multifunctional compounds containing carbonyl, hydroxy, and nitrooxy functional groups, HCOOH, HCHO, CO, and CO2.
2004
[Biasioli2004a] Biasioli, F., F. Gasperi, G. Odorizzi, E. Aprea, and D. Mott, "Applicabilità del PTR-MS al controllo degli odori negli impianti per il trattamento dei rifiuti", Rifiuti solidi, 2004.
Link: http://openpub.iasma.it/handle/10449/18438
[Ammann2004] Ammann, C., C. Spirig, A. Neftel, M. Steinbacher, M. Komenda, and A. Schaub, "Application of PTR-MS for measurements of biogenic VOC in a deciduous forest", International Journal of Mass Spectrometry, vol. 239, no. 2: Elsevier, pp. 87–101, 2004.
Link: http://www.sciencedirect.com/science/article/pii/S1387380604003884
Abstract
The vegetation–atmosphere-exchange is an important process controlling the atmospheric concentration of various volatile organic compounds (VOCs) that play a major role in atmospheric chemistry. However, the quantification of VOC exchange on the ecosystem scale is still an analytical challenge. In the present study we tested and applied a proton-transfer-reaction mass spectrometry system (PTR-MS) for the measurement of biogenic VOCs in a mixed deciduous forest. VOC concentrations were calculated from the raw instrument signals based on physical principles. This method allows a consistent quantification also of compounds for which regular calibration with a gas standard is not available. It requires a regular and careful investigation of the mass-dependent ion detection characteristics of the PTR-MS, which otherwise could become a considerable error source. The PTR-MS method was tested in the laboratory for a range of oxygenated and non-oxygenated VOCs using a permeation source. The agreement was within 16% or better, which is well within the expected uncertainty. During the field measurement campaign in a deciduous forest stand, an on-line intercomparison with a state-of-the-art gas-chromatography system showed a generally good agreement. However, the relatively low ambient VOC concentrations revealed some systematic difference for acetone and isoprene, that may indicate an error in the determination of the PTR-MS offset or an interference of an unidentified isobaric compound on the detected ion mass. With the presentation of selected field results, we demonstrate the ability of the PTR-MS system to measure continuous vertical concentration profiles of biogenic VOCs throughout a forest canopy at a time resolution of 20 min. The resulting datasets provide valuable information for the study of the interactions between emission, photochemical transformation and transport processes within and above the forest canopy.
[Amann2004] Amann, A., G. Poupart, S. Telser, M. Ledochowski, A. Schmid, and S. Mechtcheriakov, "Applications of breath gas analysis in medicine", International Journal of Mass Spectrometry, vol. 239, no. 2-3, pp. 227 - 233, 2004.
Link: http://www.sciencedirect.com/science/article/pii/S1387380604003574
Abstract
Volatile organic compounds (VOCs) in exhaled breath gas provide valuable information about the subjects' physiological and pathophysiological condition. Proton-transfer-reaction mass spectrometry (PTR-MS) allows rapid and online measurements of these substances. We present results of three studies illustrating the potential of breath gas analysis by PTR-MS in various contexts: long-time online monitoring of VOCs in sleeping subjects suggests that VOC profiles are related to sleep stages. Analysis of VOC concentrations in the breath of carbohydrate malabsorbers emphasizes the role played by bacteria in the gut. Finally, we demonstrate the large intra- and intersubject concentration variability of VOCs by considering one particular mass.
2003
[Pollien2003a] Pollien, P., C. Lindinger, S. Ali, and C. Yeretzian, "Absolute quantification of headspace volatiles by PTR-MS", 1st International Conference on Proton Transfer Reaction Mass Spectrometry and its Applications. Innsbruck, Austria: Universitaet Innsbruck, pp. 153–6, 2003.
Link: http://www.ionicon.com/sites/default/files/uploads/doc/contributions_ptr_ms_Conference_1.pdf
[Hawes2003] Hawes, A. K., S. Solomon, R. W. Portmann, J. S. Daniel, A. O. Langford, LR. H Miller, C. S. Eubank, P. Goldan, C. Wiedinmyer, E. Atlas, et al., "Airborne observations of vegetation and implications for biogenic emission characterization", Journal of Environmental Monitoring, vol. 5, no. 6: Royal Society of Chemistry, pp. 977–983, 2003.
Link: http://pubs.rsc.org/en/content/articlehtml/2003/em/b308911h
Abstract
Measuring hydrocarbons from aircraft represents one way to infer biogenic emissions at the surface. The focus of this paper is to show that complementary remote sensing information can be provided by optical measurements of a vegetation index, which is readily measured with high temporal coverage using reflectance data. We examine the similarities between the vegetation index and in situ measurements of the chemicals isoprene, methacrolein, and alpha-pinene to estimate whether the temporal behavior of the in situ measurements of these chemicals could be better understood by the addition of the vegetation index. Data were compared for flights conducted around Houston in August and September 2000. The three independent sets of chemical measurements examined correspond reasonably well with the vegetation index curves for the majority of flight days. While low values of the vegetation index always correspond to low values of the in situ chemical measurements, high values of the index correspond to both high and low values of the chemical measurements. In this sense it represents an upper limit when compared with in situ data (assuming the calibration constant is adequately chosen). This result suggests that while the vegetation index cannot represent a purely predictive quantity for the in situ measurements, it represents a complementary measurement that can be useful in understanding comparisons of various in situ observations, particularly when these observations occur with relatively low temporal frequency. In situ isoprene measurements and the vegetation index were also compared to an isoprene emission inventory to provide additional insight on broad issues relating to the use of vegetation indices in emission database development.
[Yeretzian2003] Yeretzian, C., A. Jordan, and W. Lindinger, "Analysing the headspace of coffee by proton-transfer-reaction mass-spectrometry", International Journal of Mass Spectrometry, vol. 223: Elsevier, pp. 115–139, 2003.
Link: http://www.sciencedirect.com/science/article/pii/S1387380602007856
Abstract
An extensive analysis of the headspace (HS) of coffee brew using proton-transfer-reaction mass-spectrometry (PTR-MS) is presented. In particular, we present a set of methods that link mass spectral peaks, as observed in PTR-MS, to chemical compounds in the HS of coffee. Combining all this information, a tentative assignment and rough quantification of liquid coffee HS is presented. Coffee was chosen because it contains a large number of chemically diverse volatile organic compounds (VOCs), representing a challenging system for on-line analysis by PTR-MS.
2002
[Hewitt2002] C Hewitt, N., S. Hayward, and A. Tani, "The application of proton transfer reaction-mass spectrometry (PTR-MS) to the monitoring and analysis of volatile organic compounds in the atmosphere", J. Environ. Monit., vol. 5, no. 1: The Royal Society of Chemistry, pp. 1–7, 2002.
Link: http://pubs.rsc.org/en/content/articlepdf/2003/em/b204712h
Abstract
Proton transfer reaction-mass spectrometry (PTR-MS) is a new and emerging technique for the measurement and monitoring of volatile organic compounds (VOCs) at low concentrations in gaseous samples in more-or-less real time. Utilising chemical ionisation, it combines the desirable attributes of high sensitivity and short integration times with good precision and accuracy. Recently it has been exploited in applications related to atmospheric science. Here, the principles of operation of the PTR-MS are described, its advantages and disadvantages discussed, its inherent uncertainties highlighted, some of its uses in atmospheric sciences reviewed, and some suggestions made on its future application to atmospheric chemistry.
2001
[Sprung2001] Sprung, D., C. Jost, T. Reiner, A. Hansel, and A. Wisthaler, "Acetone and acetonitrile in the tropical Indian Ocean boundary layer and free troposphere: Aircraft-based intercomparison of AP-CIMS and PTR-MS measurements", Journal of Geophysical Research: Atmospheres (1984–2012), vol. 106, no. D22: Wiley Online Library, pp. 28511–28527, 2001.
Link: http://onlinelibrary.wiley.com/doi/10.1029/2000JD900599/full
[Rieder2001] Rieder, J.., P.. Lirk, C.. Ebenbichler, G.. Gruber, P.. Prazeller, W.. Lindinger, and A.. Amann, "Analysis of volatile organic compounds: possible applications in metabolic disorders and cancer screening.", Wien Klin Wochenschr, vol. 113, no. 5-6: Department of Anesthesiology and Critical Care Medicine, Leopold-Franzens University, Innsbruck, Austria., pp. 181–185, Mar, 2001.
Abstract
The human breath contains a variety of endogenous volatile organic compounds (VOCs). The origin and pathophysiological importance of these VOCs is poorly investigated. Little is known about the interaction of VOCs from ambient air, such as those produced by plants and exhaust fumes, with the human organism. Gas chromatographic determination of VOC concentrations is tedious. Proton-transfer-mass spectroscopy (PTR-MS), a new technology for the online detection of VOC patterns, is a valuable alternative. We present two interesting molecular species, isoprene and ortho (o)-toluidine, as examples of endogenously produced VOCs. In a case study, breath isoprene reductions during lipid-lowering therapy (36%) were shown to correlate with cholesterol (32%) and LDL concentrations (35%) in blood (p < 0.001) over a period of 15 days. Therefore, isoprene concentrations in human breath (measured by PTR-MS) might serve as an additional parameter to complement invasive tests for controlling lipid-lowering therapy. Furthermore, it may be a useful parameter for lipid disorder screening. Mass-108, which presumably represents o-toluidine in our breath samples, was found in significantly higher concentrations in the breath of patients with different tumors (1.5 +/- 0.8 ppbv) than in age-matched controls (0.24 +/- 0.1 ppbv, p < 0.001). Inflammatory reactions do not seem to alter the pattern of mass-108. Therefore, it appears to be a currently underestimated carcinoma marker that deserves further investigation.
[Williams2001] Williams, J., U. Poeschl, PJ. Crutzen, A. Hansel, R. Holzinger, C. Warneke, W. Lindinger, and J. Lelieveld, "An atmospheric chemistry interpretation of mass scans obtained from a proton transfer mass spectrometer flown over the tropical rainforest of Surinam", Journal of atmospheric chemistry, vol. 38, no. 2: Springer, pp. 133–166, 2001.
Link: http://www.springerlink.com/index/v26n6440307112k1.pdf
[Holzinger2001a] Holzinger, R., A. Jordan, A. Hansel, and W. Lindinger, "Automobile emissions of acetonitrile: Assessment of its contribution to the global source", Journal of atmospheric chemistry, vol. 38, no. 2: Springer, pp. 187–193, 2001.
Link: http://www.springerlink.com/index/g3rn0j32865r9220.pdf
1999
[Warneke1999] Warneke, C., T. Karl, H. Judmaier, A. Hansel, A. Jordan, W. Lindinger, and P. J. Crutzen, "Acetone, methanol, and other partially oxidized volatile organic emissions from dead plant matter by abiological processes: Significance for atmospheric HOx chemistry", Global Biogeochem. Cycles, vol. 13, no. 1, pp. 9–17, 1999.
Link: http://onlinelibrary.wiley.com/doi/10.1029/98GB02428/full
[Prazeller1999] Prazeller, P., K. Thomas, A. Jordan Arm Hansel, and W. Lindinger, "Acetonitril als Biomarker zur Quantifizierung des Passivrauchens", Ber. nat-med. Verein Innsbruck, vol. 86: Ber. nat-.med. Verein Innsbruck, pp. 13-19, 1999.
Link: http://www.landesmuseum.at/pdf_frei_remote/BERI_86_0013-0019.pdf
1997
[Lindinger1997a] Lindinger, W., and A. Hansel, "Analysis of trace gases at ppb levels by proton transfer reaction mass spectrometry (PTR-MS)", Plasma Sources Science and Technology, vol. 6, no. 2: IOP Publishing, pp. 111, 1997.
Link: http://iopscience.iop.org/0963-0252/6/2/004
Abstract
A proton transfer reaction mass spectrometry (PTR-MS) system has been developed which allows for on-line measurements of trace gas components with concentrations as low as 1 ppb. The method is based on reactions of H3O+ ions, which perform non-dissociative proton transfer to most of the common organic trace constituents but do not react with any of the components present in clean air. Examples of medical applications by means of breath analysis, examples of environmental trace gas analysis and examples in the field of food chemistry demonstrate the wide applicability of the method.
1996
[Taucher1996] Taucher, J., A. Hansel, A. Jordan, and W. Lindinger, "Analysis of compounds in human breath after ingestion of garlic using proton-transfer-reaction mass spectrometry", Journal of agricultural and food chemistry, vol. 44, no. 12: ACS Publications, pp. 3778–3782, 1996.
Link: http://pubs.acs.org/doi/abs/10.1021/jf960640e
Abstract
After ingestion of raw garlic, the components allyl methyl sulfide (1), allyl methyl disulfide (2), diallyl sulfide (3), diallyl disulfide (4), diallyl trisulfide (7), dimethyl sulfide (8), and acetone (9) in the breath of a test person were analyzed over a time period of about 30 h by means of proton-transfer-reaction mass spectrometry. While the concentrations of 2−7 reached maxima shortly after ingestion of garlic and declined to baseline values within the next 2−3 h, concentrations of 1, 8, and 9 increased much more slowly and showed enhanced values even 30 h after garlic consumption. The strong increase of the concentration of acetone might be indicative of enhanced metabolism of serum cholesterol, triglycerides, and total lipids in the blood stream.
1995
[Jordan1995] Jordan, A., A. Hansel, R. Holzinger, and W. Lindinger, "Acetonitrile and benzene in the breath of smokers and non-smokers investigated by proton transfer reaction mass spectrometry (PTR-MS)", International Journal of Mass Spectrometry and Ion Processes, vol. 148, no. 1-2, pp. L1 - L3, 1995.
Link: http://www.sciencedirect.com/science/article/pii/016811769504236E
Abstract
Benzene and acetonitrile are both present in greater concentrations in the breath of smokers than in non-smokers. The concentrations of these neutrals can be readily detected in the gas phase by their proton transfer reactions with H3O+. The concentration of benzene in the breath of smokers rapidly decreases with the time since the last cigarette was smoked, declining to values similar to those of non-smokers within an hour. In contrast, the concentration of acetonitrile in the breath of smokers takes nearly a week to decrease to that of non-somokers, once smoking stops. Thus the analysis of acetonitrile in the breath is a most suitable indicator of whether a given subject is or is not a smoker.

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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).
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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.
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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.
Link

 

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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