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Scientific Articles - PTR-MS Bibliography

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Found 37 results
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A
[Graus2005] Graus, M., JP. Schnitzler, J. Kreuzwieser, U. Heizmann, H. Rennenberg, A. Wisthaler, and A. Hansel, "Alternative Carbon Sources for Leaf Isoprene Formation", Mass Spectrometry and Its Applications, pp. 19, 2005.
Link: http://www.uibk.ac.at/iup/infofolder/contributions_ptrms.pdf#page=30
[Mueller2012] Müller, M., M. Graus, A. Wisthaler, A. Hansel, A. Metzger, J. Dommen, and U. Baltensperger, "Analysis of high mass resolution PTR-TOF mass spectra from 1, 3, 5-trimethylbenzene (TMB) environmental chamber experiments", Atmospheric Chemistry and Physics, vol. 12, no. 2: Copernicus GmbH, pp. 829–843, 2012.
Link: http://www.atmos-chem-phys.net/12/829/
Abstract
A series of 1,3,5-trimethylbenzene (TMB) photo-oxidation experiments was performed in the 27-m3 Paul Scherrer Institute environmental chamber under various NOx conditions. A University of Innsbruck prototype high resolution Proton Transfer Reaction Time-of-Flight Mass Spectrometer (PTR-TOF) was used for measurements of gas and particulate phase organics. The gas phase mass spectrum displayed  200 ion signals during the TMB photo-oxidation experiments. Molecular formulas CmHnNoOp were determined and ion signals were separated and grouped according to their C, O and N numbers. This allowed to determine the time evolution of the O:C ratio and of the average carbon oxidation state OSC of the reaction mixture. Both quantities were compared with master chemical mechanism (MCMv3.1) simulations. The O:C ratio in the particle phase was about twice the O:C ratio in the gas phase. Average carbon oxidation states of secondary organic aerosol (SOA) samples OSCSOA were in the range of −0.34 to −0.31, in agreement with expected average carbon oxidation states of fresh SOA (OSC = −0.5–0).
[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.
[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
B
[Bamberger2010] Bamberger, I., L. Hörtnagl, R. Schnitzhofer, M. Graus, TM. Ruuskanen, M. Müller, J. Dunkl, G. Wohlfahrt, and A. Hansel, "BVOC fluxes above mountain grassland", Biogeosciences, vol. 7, no. 5: Copernicus GmbH, pp. 1413–1424, 2010.
Link: http://www.biogeosciences.net/7/1413/2010/bg-7-1413-2010.pdf
[Karl2013] Karl, T., A. Hansel, L. Cappellin, L. Kaser, I. Herdlinger-Blatt, and W. Jud, "BVOC measurements based on NO+ ionization", CONFERENCE SERIES, pp. 84, 2013.
Link: http://www.ionicon.com/sites/default/files/uploads/doc/contributions_ptr_ms_Conference_6.pdf
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[Guazzotti2003] Guazzotti, SA., DT. Suess, KR. Coffee, PK. Quinn, TS. Bates, A. Wisthaler, A. Hansel, WP. Ball, RR. Dickerson, C. Neusüß, et al., "Characterization of carbonaceous aerosols outflow from India and Arabia: Biomass/biofuel burning and fossil fuel combustion", Journal of geophysical research, vol. 108, no. D15: American Geophysical Union, pp. 4485, 2003.
Link: http://onlinelibrary.wiley.com/doi/10.1029/2002JD003277/abstract
Abstract
A major objective of the Indian Ocean Experiment (INDOEX) involves the characterization of the extent and chemical composition of pollution outflow from the Indian Subcontinent during the winter monsoon. During this season, low-level flow from the continent transports pollutants over the Indian Ocean toward the Intertropical Convergence Zone (ITCZ). Traditional standardized aerosol particle chemical analysis, together with real-time single particle and fast-response gas-phase measurements provided characterization of the sampled aerosol chemical properties. The gas- and particle-phase chemical compositions of encountered air parcels changed according to their geographic origin, which was traced by back trajectory analysis. The temporal evolutions of acetonitrile, a long-lived specific tracer for biomass/biofuel burning, number concentration of submicrometer carbon-containing particles with potassium (indicative of combustion sources), and mass concentration of submicrometer non-sea-salt (nss) potassium are compared. High correlation coefficients (0.84 < r2 < 0.92) are determined for these comparisons indicating that most likely the majority of the species evolve from the same, related, or proximate sources. Aerosol and trace gas measurements provide evidence that emissions from fossil fuel and biomass/biofuel burning are subject to long-range transport, thereby contributing to anthropogenic pollution even in areas downwind of South Asia. Specifically, high concentrations of submicrometer nss potassium, carbon-containing particles with potassium, and acetonitrile are observed in air masses advected from the Indian subcontinent, indicating a strong impact of biomass/biofuel burning in India during the sampling periods (74 (±9)% biomass/biofuel contribution to submicrometer carbonaceous aerosol). In contrast, lower values for these same species were measured in air masses from the Arabian Peninsula, where dominance of fossil fuel combustion is suggested by results from single-particle analysis and supported by results from gas-phase measurements (63 (±9))% fossil fuel contribution to submicrometer carbonaceous aerosol). Results presented here demonstrate the importance of simultaneous, detailed gas- and particle-phase measurements of related species when evaluating possible source contributions to aerosols in different regions of the world.
D
[Bamberger2011] Bamberger, I., L. Hörtnagl, TM. Ruuskanen, R. Schnitzhofer, M. Müller, M. Graus, T. Karl, G. Wohlfahrt, and A. Hansel, "Deposition fluxes of terpenes over grassland", Journal of Geophysical Research: Atmospheres (1984–2012), vol. 116, no. D14: Wiley Online Library, 2011.
Link: http://onlinelibrary.wiley.com/doi/10.1029/2010JD015457/full
Abstract
Eddy covariance flux measurements were carried out for two subsequent vegetation periods above a temperate mountain grassland in an alpine valley using a proton-transfer-reaction-mass spectrometer (PTR-MS) and a PTR time-of-flight-mass spectrometer (PTR-TOF). In 2008 and during the first half of the vegetation period 2009 the volume mixing ratios (VMRs) for the sum of monoterpenes (MTs) were typically well below 1 ppbv and neither MT emission nor deposition was observed. After a hailstorm in July 2009 an order of magnitude higher amount of terpenes was transported to the site from nearby coniferous forests causing elevated VMRs. As a consequence, deposition fluxes of terpenes to the grassland, which continued over a time period of several weeks without significant reemission, were observed. For days without precipitation the deposition occurred at velocities close to the aerodynamic limit. In addition to monoterpene uptake, deposition fluxes of the sum of sesquiterpenes (SQTs) and the sum of oxygenated terpenes (OTs) were detected. Considering an entire growing season for the grassland (i.e., 1 April to 1 November 2009), the cumulative carbon deposition of monoterpenes reached 276 mg C m−2. This is comparable to the net carbon emission of methanol (329 mg C m−2), which is the dominant nonmethane volatile organic compound (VOC) emitted from this site, during the same time period. It is suggested that deposition of monoterpenes to terrestrial ecosystems could play a more significant role in the reactive carbon budget than previously assumed.
[Bamberger2012] Bamberger, I., L. Hoertnagl, T. Ruuskanen, R. Schnitzhofer, M. Müller, M. Graus, T. Karl, G. Wohlfahrt, and A. Hansel, "Deposition of terpenes to vegetation-a paradigm shift towards bidirectional VOC exchange?", EGU General Assembly Conference Abstracts, vol. 14, pp. 7949, 2012.
Link: http://adsabs.harvard.edu/abs/2012EGUGA..14.7949B
Abstract
Biogenic volatile organic compounds (BVOCs) are important precursors for secondary organic aerosol (SOA) formation (Hallquist et al., 2009). In addition reactive BVOCs play a crucial role in local tropospheric ozone production (Atkinson, 2000). According to the present scientific understanding vegetation is recognized as a major VOC emission source rather than a deposition sink. Our recent observations however demonstrate that an uptake of terpene compounds to mountain grassland can be significant - at least under certain atmospheric conditions. After a severe hailstorm volume mixing ratios (VMR) of locally emitted terpene compounds originating from conifers located at the mountain slopes were strongly enhanced, even during daytime hours. Weeks after the hailstorm our PTR-MS and PTR-time-of-flight (PTR-TOF) instruments still measured deposition fluxes of monoterpenes (m/z 137.133), sesquiterpenes (m/z 205.195), and oxygenated terpenes (m/z 153.128) to the grassland. The total amount of terpenoids (on a carbon basis) deposited to the grassland during the weeks after the hailstorm is comparable to the total methanol emission of the entire growing season (Bamberger et al., 2011). These findings pose the question whether the terminology should be adjusted from VOC emission to VOC exchange.
[Grabmer2004] Grabmer, W., M. Graus, C. Lindinger, A. Wisthaler, B. Rappenglück, R. Steinbrecher, and A. Hansel, "Disjunct eddy covariance measurements of monoterpene fluxes from a Norway spruce forest using PTR-MS", International Journal of Mass Spectrometry, vol. 239, no. 2: Elsevier, pp. 111–115, 2004.
Link: http://www.sciencedirect.com/science/article/pii/S1387380604003914
Abstract
Interest in reliable quantification of organic trace compounds released from terrestrial ecosystems stems from their impact on oxidant levels such as ozone and hydroxyl radicals and on secondary organic aerosol formation. In an attempt to quantify these emissions, a disjunct sampler (DS) was coupled to a PTR-MS instrument. In the disjunct eddy covariance (DEC) technique, an instantaneous grab sample is taken at intervals of tens of seconds and vertical wind speed is recorded at the instant of sample collection. The intermittent periods are used for sample analysis by a moderately fast chemical sensor, in this case a PTR-MS instrument, which allows for fast and sensitive detection of biogenic volatile organic compounds. The vertical turbulent transport of a trace compound is then calculated from the covariance of the fluctuations in vertical wind speed and compound mixing ratio. Fluxes of monoterpenes from a Norway spruce forest were measured during the 2002 summer intensive field campaign of BEWA2000 and results compared well with data obtained using relaxed eddy accumulation (REA) and the enclosure approach. In addition to this field experiment, a laboratory test was carried out to validate the disjunct sampling procedure.
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[Spirig2005] Spirig, C., A. Neftel, C. Ammann, J. Dommen, W. Grabmer, A. Thielmann, A. Schaub, J. Beauchamp, A. Wisthaler, A. Hansel, et al., "Eddy covariance flux measurements of biogenic VOCs during ECHO 2003 using proton transfer reaction mass spectrometry", Atmospheric Chemistry and Physics, vol. 5, no. 2, pp. 465–481, 2005.
Link: http://hal.archives-ouvertes.fr/hal-00295614/
Abstract
Within the framework of the AFO 2000 project ECHO, two PTR-MS instruments were operated in combination with sonic anemometers to determine biogenic VOC fluxes from a mixed deciduous forest site in North-Western Germany. The measurement site was characterised by a forest of inhomogeneous composition, complex canopy structure, limited extension in certain wind directions and frequent calm wind conditions during night time. The eddy covariance (EC) technique was applied since it represents the most direct flux measurement approach on the canopy scale and is, therefore, least susceptible to these non-ideal conditions. A specific flux calculation method was used to account for the sequential multi-component PTR-MS measurements and allowing an individual delay time adjustment as well as a rigorous quality control based on cospectral analysis. The validated flux results are consistent with light and temperature dependent emissions of isoprene and monoterpenes from this forest, with average daytime emissions of 0.94 and 0.3µg m-2s-1, respectively. Emissions of methanol reached on average 0.087µg m-2s-1 during daytime, but fluxes were too small to be detected during night time. Upward fluxes of the isoprene oxidation products methyl vinyl ketone (MVK) and methacrolein (MACR) were also found, being two orders of magnitude lower than those of isoprene. Calculations with an analytical footprint model indicate that the observed isoprene fluxes correlate with the fraction of oaks within the footprints of the flux measurement.
[Ruuskanen2011] Ruuskanen, TM., M. Müller, R. Schnitzhofer, T. Karl, M. Graus, I. Bamberger, L. Hoertnagl, F. Brilli, G. Wohlfahrt, and A. Hansel, "Eddy covariance VOC emission and deposition fluxes above grassland using PTR-TOF", Atmos. Chem. Phys, vol. 11, pp. 611–625, 2011.
Link: http://www.atmos-chem-phys.net/11/611/2011/acp-11-611-2011.html
Abstract
Eddy covariance (EC) is the preferable technique for flux measurements since it is the only direct flux determination method. It requires a continuum of high time resolution measurements (e.g. 5–20 Hz). For volatile organic compounds (VOC) soft ionization via proton transfer reaction has proven to be a quantitative method for real time mass spectrometry; here we use a proton transfer reaction time of flight mass spectrometer (PTR-TOF) for 10 Hz EC measurements of full mass spectra up to m/z 315. The mass resolution of the PTR-TOF enabled the identification of chemical formulas and separation of oxygenated and hydrocarbon species exhibiting the same nominal mass. We determined 481 ion mass peaks from ambient air concentration above a managed, temperate mountain grassland in Neustift, Stubai Valley, Austria. During harvesting we found significant fluxes of 18 compounds distributed over 43 ions, including protonated parent compounds, as well as their isotopes and fragments and VOC-H+ – water clusters. The dominant BVOC fluxes were methanol, acetaldehyde, ethanol, hexenal and other C6 leaf wound compounds, acetone, acetic acid, monoterpenes and sequiterpenes.
[Lindinger1997] Lindinger, W., J. Taucher, A. Jordan, A. Hansel, and W. Vogel, "Endogenous production of methanol after the consumption of fruit", Alcoholism: Clinical and Experimental Research, vol. 21, no. 5: Wiley Online Library, pp. 939–943, 1997.
Link: http://onlinelibrary.wiley.com/doi/10.1111/j.1530-0277.1997.tb03862.x/abstract
Abstract
After the consumption of fruit, the concentration of methanol in the human body increases by as much as an order of magnitude. This is due to the degradation of natural pectin (which is esterified with methyl alcohol) in the human colon. In vivo tests performed by means of proton-transfer-reaction mass spectrometry show that consumed pectin in either a pure form (10 to 15 g) or a natural form (in 1 kg of apples) induces a significant increase of methanol in the breath (and by inference in the blood) of humans. The amount generated from pectin (0.4 to 1.4 g) is approximately equivalent to the total daily endogenous production (measured to be 0.3 to 0.6 g/day) or that obtained from 0.3 liters of 80-proof brandy (calculated to be 0.5 g). This dietary pectin may contribute to the development of nonalcoholic cirrhosis of the liver.
[Hansel1997] Hansel, A., W. Singer, A. Wisthaler, M. Schwarzmann, and W. Lindinger, "Energy dependencies of the proton transfer reactions H3O++ CH2O CH2OH++ H2O", International journal of mass spectrometry and ion processes, vol. 167: Elsevier, pp. 697–703, 1997.
Link: http://www.sciencedirect.com/science/article/pii/S0168117697001286
Abstract
The proton transfer reaction system View the MathML source has been investigated in both directions as a function of the mean relative kinetic energy, KEcm, between the reactants from 0.05 eV to 1 eV in a selected ion flow drift tube (SIFDT) experiment. The rate constant kf for the forward channel follows closely the calculated collisional limiting value, kc, showing a slightly negative energy dependence. The rate constant, kr, for the reverse channel, which is endoergic by 5.2 kcal mol−1, increases from kr = 2.3 × 10−12 cm3 s−1 at KEcm = 0.05 eV to kr = 2 × 10−10 cm3 s−1 at KEcm = 1 eV. This endoergic reaction is paralleled by an associative channel forming CH2OH+·H2O, which undergoes ligand switching with water molecules to produce H3O+·H2O, yielding a bond energy BE(CH2OH+−H2O) = 27.7 kcal mol−1 in agreement with previous data. The present results are important requisites to monitor the formaldehyde concentrations in air using proton transfer reactionmass spectrometry (PTR-MS).
F
[Graus2009] Graus, M., M. Müller, and A. Hansel, "Field performance and identification capability of the Innsbruck PTR-TOF", EGU General Assembly Conference Abstracts, vol. 11, pp. 10200, 2009.
Link: http://adsabs.harvard.edu/abs/2009EGUGA..1110200G
Abstract
Over the last one and a half decades Proton Transfer Reaction Mass Spectrometry (PTR-MS) [1, 2] has gained recognition as fast on-line sensor for monitoring volatile organic compounds (VOC) in the atmosphere. Sample collection is very straight forward and the fact that no pre-concentration is needed is of particular advantage for compounds that are notoriously difficult to pre-concentrate and/or analyze by gas chromatographic (GC) methods. Its ionization method is very versatile, i.e. all compounds that perform exothermic proton transfer with hydronium ions - and most VOCs do so - are readily ionized, producing quasi-molecular ions VOC.H+. In the quasi-molecular ion the elemental composition of the analyte compound is conserved and allows, in combination with some background knowledge of the sample, conclusions about the identity of that compound. De Gouw and Warneke (2007) [3] summarized the applicability of PTR-MS in atmospheric chemistry but they also pointed out shortcomings in the identification capabilities. Goldstein and Galbally (2007) [4] addressed the multitude of VOCs potentially present in the atmosphere and they emphasized the gasphase-to-aerosol partitioning of organic compounds (volatile and semi-volatile) in dependence of carbon-chain length and oxygen containing functional groups. In collaboration with Ionicon and assisted by TOFWERK we developed a PTR time-of-flight (PTR-TOF) instrument that allows for the identification of the atomic composition of oxygenated hydrocarbons by exact-mass determination. A detection limit in the low pptv range was achieved at a time resolution of one minute, one-second detection limit is in the sub-ppbv range. In 2008 the Innsbruck PTR-TOF was field deployed in the icebreaker- and helicopter based Arctic Summer Cloud Ocean Study (ASCOS) to characterize the organic trace gas composition of the High Arctic atmosphere. During the six-week field campaign the PTR-TOF was run without problems even under harsh conditions in the open water and during ice breaking. Continuous time-series of full mass spectra with a one minute time resolution were recorded throughout the campaign between August 2nd and September 7th 2008 running up to a net VOC data set of 745 hours. Over 370 mass peaks have been separated, about 340 show signal intensities above the 30 minute detection limit of  3pptv. Additionally we analyzed samples from nine helicopter based soundings providing vertical VOC profiles up to 3000 m.a.s.l. The performance of the newly developed instrument will be discussed and ASCOS data will be shown. Acknowledgment: The ASCOS expedition was arranged by the Swedish Polar Research Secretariat (SPRS) and was an effort within the framework of SWEDARCTIC 2008. For more information on ASCOS see http://ascos.se/. We thank the ASCOS organizers - Caroline Leck and Michael Tjernström - all ASCOS participants, the SPRS and the Oden crew for the excellent team work and Armin Wisthaler for his assistance in planning and preparations. The TOF-MS system was funded by the University of Innsbruck (Uni Infrastruktur Programm). The development project was financially supported by the Austrian Research Funding Association (FFG). [1] Hansel, A.; Jordan, A.; Holzinger, R.; Prazeller, P.; Vogel, W.; Lindinger, W. International Journal of Mass Spectrometry and Ion Processes 1995, 149-150, 609-619. [2] Lindinger, W.; Hansel, A.; Jordan, A. Chemical Society Review 1998, 27, 347-375. [3] De Gouw, J. A.; Warneke, C. Mass Spectrometry Reviews 2007, 26, 223-257. [4] Goldstein, A. H.; Galbally, I. E. Environmental Science and Technology 2007, 41, 154-1521.
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[Poeschl2001] Pöschl, U., J. Williams, P. Hoor, H. Fischer, PJ. Crutzen, C. Warneke, R. Holzinger, A. Hansel, A. Jordan, W. Lindinger, et al., "High acetone concentrations throughout the 0–12 km altitude range over the tropical rainforest in Surinam", Journal of atmospheric chemistry, vol. 38, no. 2: Springer, pp. 115–132, 2001.
Link: http://link.springer.com/article/10.1023/A:1006370600615
[Crutzen2000] Crutzen, PJ., J. Williams, U. Poeschl, P. Hoor, H. Fischer, C. Warneke, R. Holzinger, A. Hansel, W. Lindinger, B. Scheeren, et al., "High spatial and temporal resolution measurements of primary organics and their oxidation products over the tropical forests of Surinam", Atmospheric environment, vol. 34, no. 8: Elsevier, pp. 1161–1165, 2000.
Link: http://www.sciencedirect.com/science/article/pii/S1352231099004823
Abstract
Tropical forests with emissions greater than 1015 g C of reactive hydrocarbons per year strongly affect atmospheric chemistry. Here we report aircraft-borne measurements of organics during March 1998 in Surinam, a largely unpolluted region which is optimally located to study chemical processes induced by tropical forest emissions. Isoprene and its degradation products methylvinyl ketone (MVK) and methacrolein (MACR) and possibly isoprene hydroperoxides (ISOHP), were measured in the nmol mol−1 volume mixing ratio (VMR) range, consistent with estimated emissions and model calculations. In addition, high VMRs of some non-isoprene-derived organics were measured, such as acetone (≈2–4 nmol mol1 up to 12 km altitude), an important source of HO and HO2 in the upper troposphere. Moreover, several masses were measured at significant mixing ratios which could not be identified by reference to previous field measurements or gas-phase isoprene chemistry. High VMRs, almost 0.4 nmol mol−1, were also recorded for a compound which is most likely dimethyl sulphide (DMS). If so, boundary layer loss of HO by reactions with hydrocarbons and their oxidation products strongly prolongs the lifetime of DMS, allowing its transport deep into the Amazon forest south of the intertropical convergence zone (ITCZ). We postulate greater sulphate production and deposition north than south of the (ITCZ) with possible consequences for cloud and ecosystem properties.
I
[Hansel1998] Hansel, A., A. Jordan, C. Warneke, R. Holzinger, and W. Lindinger, "Improved detection limit of the proton-transfer reaction mass spectrometer: On-line monitoring of volatile organic compounds at mixing ratios of a few pptv", Rapid communications in mass spectrometry, vol. 12, no. 13: Wiley Online Library, pp. 871–875, 1998.
Link: http://onlinelibrary.wiley.com/doi/10.1002/(SICI)1097-0231(19980715)12:13%3C871::AID-RCM245%3E3.0.CO;2-L/abstract
[Warneke2001a] Warneke, C., R. Holzinger, A. Hansel, A. Jordan, W. Lindinger, U. Poeschl, J. Williams, P. Hoor, H. Fischer, PJ. Crutzen, et al., "Isoprene and its oxidation products methyl vinyl ketone, methacrolein, and isoprene related peroxides measured online over the tropical rain forest of Surinam in March 1998", Journal of Atmospheric Chemistry, vol. 38, no. 2: Springer, pp. 167–185, 2001.
Link: http://www.springerlink.com/index/u14w8w3187r33ur2.pdf
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[Taucher1995] Taucher, J., A. Lagg, A. Hansel, W. Vogel, and W. Lindinger, "Methanol in human breath", Alcoholism: Clinical and Experimental Research, vol. 19, no. 5: Wiley Online Library, pp. 1147–1150, 1995.
Link: http://onlinelibrary.wiley.com/doi/10.1111/j.1530-0277.1995.tb01593.x/abstract
Abstract
Using proton transfer reaction-mass spectrometry for trace gas analysis of the human breath, the concentrations of methanol and ethanol have been measured for various test persons consuming alcoholic beverages and various amounts of fruits, respectively. The methanol concentrations increased from a natural (physiological) level of ∼ 0.4 ppm up to ∼ 2 ppm a few hours after eating about 1/2 kg of fruits, and about the same concentration was reached after drinking of 100 ml brandy containing 24% volume of ethanol and 0.19% volume of methanol.
[Laat2001] de Laat, ATJ., JA. de Gouw, J. Lelieveld, and A. Hansel, "Model analysis of trace gas measurements and pollution impact during INDOEX", Journal of Geophysical Research: Atmospheres (1984–2012), vol. 106, no. D22: Wiley Online Library, pp. 28469–28480, 2001.
Link: http://adsabs.harvard.edu/abs/2001JGR...10628469D
Abstract
An analysis of acetone (CH3COCH3) and acetonitrile (CH3CN) measurements, performed during the Indian Ocean Experiment (INDOEX), using a chemistry general circulation model is presented. A comparison with measurements indicates that the model simulates realistic CO and acetone distributions, except toward the Indian west coast near the surface. The latter may be related to a sea breeze circulation at the Indian west coast, which is not resolved by the model. A comparison of the measured and modeled correlation between CO and acetone indicates the presence of a background marine acetone source. A model sensitivity study suggests a global marine emission strength of 15-20 Tg acetone yr-1, which is a significant contribution to the estimated global acetone source of 56 (37-80) Tg acetone yr-1. The comparison of measured and modeled CO-acetonitrile correlation from surface measurements indicates that a model sink of acetonitrile in the marine boundary layer is missing. A model sensitivity study suggests that this could be dry deposition (deposition velocity estimate: 0.01-0.05 cms-1) on the ocean surface. A comparison of measured and modeled tropospheric acetonitrile indicates that the model overestimates the free tropospheric acetonitrile mixing ratios up to a factor of 3, which points to a missing free tropospheric sink of acetonitrile in the model. A possible explanation may be stratospheric loss and subsequent stratosphere-troposphere exchange, which was not included in the model.
[Mueller2009] Müller, M., LH. Mielke, M. Breitenlechner, SA. McLuckey, PB. Shepson, A. Wisthaler, and A. Hansel, "MS/MS studies for the selective detection of isomeric biogenic VOCs using a Townsend Discharge Triple Quadrupole Tandem MS and a PTR-Linear Ion Trap MS", Atmospheric Measurement Techniques Discussions, vol. 2, no. 4: Copernicus GmbH, pp. 1837–1861, 2009.
Link: http://www.atmos-meas-tech-discuss.net/2/1837/2009/
Abstract
We performed MS/MS investigations of biogenic volatile organic compounds (BVOC) using a triple quadrupole tandem mass spectrometer (QqQ-MS) equipped with a Townsend Discharge ion source and a Proton Transfer Reaction Linear Ion Trap (PTR-LIT) mass spectrometer. Both instruments use H2O chemical ionization to produce protonated molecular ions. Here we report a study of the application of these instruments to determine methyl vinyl ketone (MVK) and methacrolein (MACR) and a series of monoterpenes (α-pinene, β-pinene, 3-carene, limonene, myrcene, ocimene) and sesquiterpenes (humulene and farnesene). Both instruments achieved sub-ppb detection limits in the single MS mode and in the MS/MS mode for differentiating MVK and MACR. Collision induced dissociation (CID) of protonated monoterpenes and sesquiterpenes was studied under the high-energy, single-to-few collision conditions of the QqQ-MS instrument and under the low-energy, multiple collision conditions of the PTR-LIT. Differences and similarities in the breakdown curves obtained are discussed. In addition, we performed MS4 of protonated limonene to illustrate the analytical power of the PTR-LIT. In spite of the progress we have made, the selective on-line mass-spectrometric detection of individual monoterpenes or sesquiterpenes in complex mixtures currently does not yet seem to be possible.
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[Stroud2002] Stroud, CA., JM. Roberts, EJ. Williams, D. Hereid, WM. Angevine, FC. Fehsenfeld, A. Wisthaler, A. Hansel, M. Martinez-Harder, H. Harder, et al., "Nighttime isoprene trends at an urban forested site during the 1999 Southern Oxidant Study", Journal of Geophysical Research: Atmospheres (1984–2012), vol. 107, no. D16: Wiley Online Library, pp. ACH–7, 2002.
Link: http://onlinelibrary.wiley.com/doi/10.1029/2001JD000959/full
Abstract
[1] Measurements of isoprene and its oxidation products, methacrolein, methyl vinyl ketone and peroxymethacrylic nitric anhydride, were conducted between 13 June and 14 July 1999, at the Cornelia Fort Airpark during the Nashville intensive of the Southern Oxidant Study. Trends in isoprene and its oxidation products showed marked variability from night-to-night. The reaction between isoprene and the nitrate radical was shown to be important to the chemical budget of isoprene and often caused rapid decay of isoprene mixing ratios in the evening. Trends in methacrolein, methyl vinyl ketone, and peroxymethacrylic nitric anhydride were steady during the evening isoprene decay period, consistent with their slow reaction rate with the nitrate radical. For cases when isoprene sustained and even increased in mixing ratio throughout the night, the observed isoprene oxidation rates via the hydroxyl radical, ozone, and the nitrate radical were all small. Sustained isoprene mixing ratios within the nocturnal boundary layer give a unique opportunity to capture hydroxyl radical photochemistry at sunrise as isoprene was observed to rapidly convert to its first stage oxidation products before vertical mixing significantly redistributed chemical species. The observed nighttime isoprene variability at urban, forested sites is related to a complex coupling between nighttime boundary layer dynamics and chemistry.
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[Warneke1996] Warneke, C., J. Kuczynski, A. Hansel, A. Jordan, W. Vogel, and W. Lindinger, "Proton transfer reaction mass spectrometry (PTR-MS): propanol in human breath", International journal of mass spectrometry and ion processes, vol. 154, no. 1: Elsevier, pp. 61–70, 1996.
Link: http://www.sciencedirect.com/science/article/pii/0168117696043698
Abstract
Proton transfer reaction mass spectrometry (PTR-MS) based on reactions of H3O+ ions has been used to measure the concentrations of propanol in 46 healthy persons, yielding an average concentration of about 150 ppb. That the measurements were not obscured by other components of the same mass as propanol was proven by comparison of PTR-MS data with separate selected-ion flow-drift tube (SIFDT) investigations of the energy dependences of reactions of H3O+ and H3O+·H2O with isopropanol, n-propanol, acetic acid and methyl formate.
[Hansel1999] Hansel, A., A. Jordan, C. Warneke, R. Holzinger, A. Wisthaler, and W. Lindinger, "Proton-transfer-reaction mass spectrometry (PTR-MS): on-line monitoring of volatile organic compounds at volume mixing ratios of a few pptv", Plasma Sources Science and Technology, vol. 8, no. 2: IOP Publishing, pp. 332, 1999.
Link: http://iopscience.iop.org/0963-0252/8/2/314

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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.
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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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