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Scientific Articles - PTR-MS Bibliography

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Found 767 results
Title [ Year(Asc)]
2006
[Ammann2006] Ammann, C., A. Brunner, C. Spirig, and A. Neftel, "Technical note: Water vapour concentration and flux measurements with PTR-MS", Atmospheric Chemistry and Physics, vol. 6, no. 12: Copernicus GmbH, pp. 4643–4651, 2006.
Link: http://www.atmos-chem-phys.net/6/4643/2006/acp-6-4643-2006.pdf
[Forkel2006] Forkel, R., O. Klemm, M. Graus, B. Rappenglück, W. R. Stockwell, W. Grabmer, A. Held, A. Hansel, and R. Steinbrecher, "Trace gas exchange and gas phase chemistry in a Norway spruce forest: A study with a coupled 1-dimensional canopy atmospheric chemistry emission model", Atmospheric Environment, vol. 40: Elsevier, pp. 28–42, 2006.
Link: http://www.sciencedirect.com/science/article/pii/S1352231006003189
Abstract
Numerical modelling is an efficient tool to investigate the role of chemical degradation of biogenic volatile organic compounds (BVOC) and the effect of dynamical processes on BVOC and product mixing ratios within and above forest canopies. The present study shows an application of the coupled canopy-chemistry model CACHE to a Norway spruce forest at the Waldstein (Fichtelgebirge, Germany). Simulated courses of temperature, trace gas mixing ratios, and fluxes are compared with measurements taken during the BEWA2000 field campaigns. The model permits the interpretation of the observed diurnal course of ozone and VOC by investigating the role of turbulent exchange, chemical formation and degradation, emission, and deposition during the course of the day. The simulation results show that BVOC fluxes into the atmosphere are 10–15% lower than the emission fluxes on branch basis due to chemical BVOC degradation within the canopy. BVOC degradation by the NO3 radical was found to occur in the lower part of the canopy also during daytime. Furthermore, the simulations strongly indicate that further research is still necessary concerning the emission and deposition of aldehydes and ketones.
[Grabmer2006] Grabmer, W., J. Kreuzwieser, A. Wisthaler, C. Cojocariu, M. Graus, H. Rennenberg, D. Steigner, R. Steinbrecher, and A. Hansel, "VOC emissions from Norway spruce ( Picea abies L.[Karst]) twigs in the field�Results of a dynamic enclosure study", Atmospheric Environment, vol. 40: Elsevier, pp. 128–137, 2006.
Link: http://www.sciencedirect.com/science/article/pii/S135223100600327X
Abstract
During the 2002 summer intensive field campaign of BEWA2000 a proton-transfer-reaction mass spectrometer (PTR-MS) was used for online determination of volatile organic compounds (VOC) emitted by Norway spruce (Picea abies L. [Karst]) twigs in a dynamic sampling enclosure. Emissions of isoprenoids (isoprene and monoterpenes) and oxygenated VOC (OVOC; acetaldehyde, acetone, methanol, and ethanol) were investigated. Emissions showed clear diurnal patterns with high daytime emission rates amounting to 1.8 μg C g−1 dwt h−1 for the sum of monoterpenes and in the range of 0.1 to 0.6 μg C g−1 dwt h−1 for isoprene>acetone>ethanol>methanol. Data were used to validate existing models on isoprene and monoterpene emissions and to discuss environmental and physiological factors affecting VOC emissions. Isoprene and acetaldehyde emission rates were best modelled applying the Guenther 1993 temperature and solar radiation algorithm. Emissions of monoterpenes, acetone and ethanol were best described by a temperature-only exponential algorithm. Using these model approaches a maximum emission variability of 66% was covered (isoprene). Poor r2 values ranging from 0.15 to 0.42 were typical for oxygenated VOC emission modelling indicating the need for model improvement e.g. development of process-based models describing the emission as a result of biochemical de novo synthesis as well as physico-chemical transport properties inside the leaves.
[DeGouw2006] De Gouw, JA., C. Warneke, A. Stohl, AG. Wollny, CA. Brock, OR. Cooper, JS. Holloway, M. Trainer, FC. Fehsenfeld, EL. Atlas, et al., "Volatile organic compounds composition of merged and aged forest fire plumes from Alaska and western Canada", Journal of geophysical research, vol. 111, no. D10: American Geophysical Union, pp. D10303, 2006.
Link: http://www.agu.org/pubs/crossref/2006/2005JD006175.shtml
Abstract
The NOAA WP-3 aircraft intercepted aged forest fire plumes from Alaska and western Canada during several flights of the NEAQS-ITCT 2k4 mission in 2004. Measurements of acetonitrile (CH3CN) indicated that the air masses had been influenced by biomass burning. The locations of the plume intercepts were well described using emissions estimates and calculations with the transport model FLEXPART. The best description of the data was generally obtained when FLEXPART injected the forest fire emissions to high altitudes in the model. The observed plumes were generally drier than the surrounding air masses at the same altitude, suggesting that the fire plumes had been processed by clouds and that moisture had been removed by precipitation. Different degrees of photochemical processing of the plumes were determined from the measurements of aromatic VOCs. The removal of aromatic VOCs was slow considering the transport times estimated from the FLEXPART model. This suggests that the average OH levels were low during the transport, which may be explained by the low humidity and high concentrations of carbon monoxide and other pollutants. In contrast with previous work, no strong secondary production of acetone, methanol and acetic acid is inferred from the measurements. A clear case of removal of submicron particle volume and acetic acid due to precipitation scavenging was observed.
2005
[Aprea2005] Aprea, E., F. Biasioli, F. Gasperi, G. Sani, C. Cantini, and T. D. Maerk, "Advanced oxidation in olive oil: monitoring of secondary reaction products and detection of rancid defect", Mass Spectrometry and Its Applications, vol. -, pp. 144, 2005.
Link: http://www.uibk.ac.at/iup/infofolder/contributions_ptrms.pdf#page=155
[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
[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.
[Penuelas2005] Penuelas, J., I. Filella, C. Stefanescu, and J. Llusià, "Caterpillars of Euphydryas aurinia (Lepidoptera: Nymphalidae) feeding on Succisa pratensis leaves induce large foliar emissions of methanol.", New Phytol, vol. 167, no. 3: Unitat Ecofisiologia CSIC-CREAF CREAF, Edifici C, Universitat Autónoma de Barcelona, E-08193 Bellaterra, Barcelona, Spain. josep.penuelas@uab.es, pp. 851–857, Sep, 2005.
Link: http://dx.doi.org/10.1111/j.1469-8137.2005.01459.x
Abstract
A major new discovery made in the last decade is that plants commonly emit large amounts and varieties of volatiles after damage inflicted by herbivores, and not merely from the site of injury. However, analytical methods for measuring herbivore-induced volatiles do not usually monitor the whole range of these compounds and are complicated by the transient nature of their formation and by their chemical instability. Here we present the results of using a fast and highly sensitive proton transfer reaction-mass spectrometry (PTR-MS) technique that allows simultaneous on-line monitoring of leaf volatiles in the pptv (pmol mol(-1)) range. The resulting on-line mass scans revealed that Euphydryas aurinia caterpillars feeding on Succisa pratensis leaves induced emissions of huge amounts of methanol–a biogeochemically active compound and a significant component of the volatile organic carbon found in the atmosphere–and other immediate, late and systemic volatile blends (including monoterpenes, sesquiterpenes and lipoxygenase-derived volatile compounds). In addition to influencing neighboring plants, as well as herbivores and their predators and parasitoids, these large emissions might affect atmospheric chemistry and physics if they are found to be generalized in other plant species.
[Herndon2005] Herndon, S. C., J. T. Jayne, M. S. Zahniser, D. R. Worsnop, B. Knighton, E. Alwine, B. K. Lamb, M. Zavala, D. D. Nelson, B. J McManus, et al., "Characterization of urban pollutant emission fluxes and ambient concentration distributions using a mobile laboratory with rapid response instrumentation", Faraday Discussions, vol. 130: Royal Society of Chemistry, pp. 327–339, 2005.
Link: http://pubs.rsc.org/en/content/articlehtml/2005/fd/b500411j
Abstract
A large and increasing fraction of the planet’s population lives in megacities, especially in the developing world. These large metropolitan areas generally have very high levels of both gaseous and particulate air pollutants that have severe impacts on human health, ecosystem viability, and climate on local, regional, and even continental scales. Emissions fluxes and ambient pollutant concentration distributions are generally poorly characterized for large urban areas even in developed nations. Much less is known about pollutant sources and concentration patterns in the faster growing megacities of the developing world. New methods of locating and measuring pollutant emission sources and tracking subsequent atmospheric chemical transformations and distributions are required. Measurement modes utilizing an innovative van based mobile laboratory equipped with a suite of fast response instruments to characterize the complex and “nastier” chemistry of the urban boundary layer are described. Instrumentation and measurement strategies are illustrated with examples from the Mexico City and Boston metropolitan areas. It is shown that fleet average exhaust emission ratios of formaldehyde (HCHO), acetaldehyde (CH3CHO) and benzene (C6H6) are substantial in Mexico City, with gasoline powered vehicles emitting higher levels normalized by fuel consumption. NH3 exhaust emissions from newer light duty vehicles in Mexico City exceed levels from similar traffic in Boston. A mobile conditional sampling air sample collection mode designed to collect samples from intercepted emission plumes for later analysis is also described.
[Lee2005] Lee, A., GW. Schade, R. Holzinger, and AH. Goldstein, "A comparison of new measurements of total monoterpene flux with improved measurements of speciated monoterpene flux", Atmospheric Chemistry and Physics, vol. 5, no. 2: Copernicus GmbH, pp. 505–513, 2005.
Link: http://www.atmos-chem-phys.net/5/505/2005/acp-5-505-2005.pdf
[Warneke2005a] Warneke, C., JA. De Gouw, ER. Lovejoy, PC. Murphy, WC. Kuster, and R. Fall, "Development of proton-transfer ion trap-mass spectrometry: On-line detection and identification of volatile organic compounds in air", Journal of the American Society for Mass Spectrometry, vol. 16, no. 8: Elsevier, pp. 1316–1324, 2005.
Link: http://www.sciencedirect.com/science/article/pii/S1044030505002618
Abstract
We present a newly developed instrument that uses proton-transfer ion trap-mass spectrometry (PIT-MS) for on-line trace gas analysis of volatile organic compounds (VOCs). The instrument is based on the principle of proton-transfer reaction-mass spectrometry (PTR-MS): VOCs are ionized using PTRs and detected with a mass spectrometer. As opposed to a quadrupole mass filter in a PTR-MS, the PIT-MS instrument uses an IT-MS, which has the following advantages: (1) the ability to acquire a full mass spectrum in the same time as one mass with a quadrupole and (2) extended analytical capabilities of identifying VOCs by performing collision-induced dissociation (CID) and ion molecule reactions in the IT. The instrument described has, at its current status, limits of detection between 0.05 and 0.5 pbbv for 1-min measurements for all tested VOCs. The PIT-MS was tested in an ambient air measurement in the urban area of Boulder, Colorado, and intercompared with PTR-MS. For all measured compounds the degree of correlation between the two measurements was high (r2 > 0.85), except for acetonitrile (CH3CN), which was close to the limit of detection of the PIT-MS instrument. The two measurements agreed within less than 25%, which was within the combined measurement uncertainties. Automated CID measurements on m/z 59 during the intercomparison were used to determine the contributions of acetone and propanal to the measured signal; both are detected at m/z 59 and thus are indistinguishable in PTR-MS. It was determined that m/z 59 was mainly composed of acetone. An influence of propanal was detected only during a high pollution event. The advantages and future developments of PIT-MS are discussed.
[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.
[Jacob2005] Jacob, D. J., B. D. Field, Q. Li, D. R. Blake, J. de Gouw, C. Warneke, A. Hansel, A. Wisthaler, H. B. Singh, and A. Guenther, "Global budget of methanol: Constraints from atmospheric observations", Journal of Geophysical Research: Atmospheres (1984–2012), vol. 110, no. D8: Wiley Online Library, 2005.
Link: http://onlinelibrary.wiley.com/doi/10.1029/2004JD005172/full
Abstract
We use a global three-dimensional model simulation of atmospheric methanol to examine the consistency between observed atmospheric concentrations and current understanding of sources and sinks. Global sources in the model include 128 Tg yr−1 from plant growth, 38 Tg yr−1 from atmospheric reactions of CH3O2 with itself and other organic peroxy radicals, 23 Tg yr−1 from plant decay, 13 Tg yr−1 from biomass burning and biofuels, and 4 Tg yr−1 from vehicles and industry. The plant growth source is a factor of 3 higher for young than from mature leaves. The atmospheric lifetime of methanol in the model is 7 days; gas-phase oxidation by OH accounts for 63% of the global sink, dry deposition to land 26%, wet deposition 6%, uptake by the ocean 5%, and aqueous-phase oxidation in clouds less than 1%. The resulting simulation of atmospheric concentrations is generally unbiased in the Northern Hemisphere and reproduces the observed correlations of methanol with acetone, HCN, and CO in Asian outflow. Accounting for decreasing emission from leaves as they age is necessary to reproduce the observed seasonal variation of methanol concentrations at northern midlatitudes. The main model discrepancy is over the South Pacific, where simulated concentrations are a factor of 2 too low. Atmospheric production from the CH3O2 self-reaction is the dominant model source in this region. A factor of 2 increase in this source (to 50–100 Tg yr−1) would largely correct the discrepancy and appears consistent with independent constraints on CH3O2 concentrations. Our resulting best estimate of the global source of methanol is 240 Tg yr−1. More observations of methanol concentrations and fluxes are needed over tropical continents. Better knowledge is needed of CH3O2 concentrations in the remote troposphere and of the underlying organic chemistry.
[Pegoraro2005] Pegoraro, E., A. Rey, G. Barron-Gafford, R. Monson, Y. Malhi, and R. Murthy, "The interacting effects of elevated atmospheric CO2 concentration, drought and leaf-to-air vapour pressure deficit on ecosystem isoprene fluxes.", Oecologia, vol. 146, no. 1, pp. 120–129, Nov, 2005.
Link: http://dx.doi.org/10.1007/s00442-005-0166-5
Abstract
Isoprene is the most abundant biogenic hydrocarbon released from vegetation and it plays a major role in tropospheric chemistry. Because of its link to climate change, there is interest in understanding the relationship between CO2, water availability and isoprene emission. We explored the effect of atmospheric elevated CO2 concentration and its interaction with vapour pressure deficit (VPD) and water stress, on gross isoprene production (GIP) and net ecosystem exchange of CO2 (NEE) in two Populus deltoides plantations grown at ambient and elevated atmospheric CO2 concentration in the Biosphere 2 Laboratory facility. Although GIP and NEE showed a similar response to light and temperature, their responses to CO2 and VPD were opposite; NEE was stimulated by elevated CO2 and depressed by high VPD, while GIP was inhibited by elevated CO2 and stimulated by high VPD. The difference in response between isoprene production and photosynthesis was also evident during water stress. GIP was stimulated in the short term and declined only when the stress was severe, whereas NEE started to decrease from the beginning of the experiment. This contrasting response led the carbon lost as isoprene in both the ambient and the elevated CO2 treatments to increase as water stress progressed. Our results suggest that water limitation can override the inhibitory effect of elevated CO2 leading to increased global isoprene emissions in a climate change scenario with warmer and drier climate.
[Moser2005] Moser, B., F. Bodrogi, G. Eibl, M. Lechner, J. Rieder, and P. Lirk, "Mass spectrometric profile of exhaled breath–field study by PTR-MS.", Respir Physiol Neurobiol, vol. 145, no. 2-3: Department of Anesthesiology and Critical Care Medicine, Leopold Franzens University, Anichstr. 35, 6020 Innsbruck, Austria. berthold.moser@uibk.ac.at, pp. 295–300, Feb, 2005.
Link: http://dx.doi.org/10.1016/j.resp.2004.02.002
Abstract
Recently, increased interest has focused on the diagnostic potential of volatile organic compounds (VOC) exhaled in human breath as this substance group has been conjectured in indoor air quality and disease screening. Proton transfer reaction-mass spectrometry (PTR-MS) has been established as a new tool for a rapid determination of exhaled air profile. However, no investigations have been carried out into the profile of exhaled air as determined by PTR-MS. Therefore, it was the aim of the present study to determine the profile of exhaled breath in a field survey enrolling 344 persons. Analysis was performed using PTR-MS. No significant correlations with age, blood pressure, and body mass index could be observed with any molecular mass. The present study delineates possible reference values for PTR-MS investigations into exhaled air profile. In conclusion, the present study was the first to delineate mass spectrometric characteristics of an average patient sample as possible reference values.
[Reus2005] de Reus, M., H. Fischer, R. Sander, V. Gros, R. Kormann, G. Salisbury, R. Van Dingenen, J. Williams, M. Zöllner, and J. Lelieveld, "Observations and model calculations of trace gas scavenging in a dense Saharan dust plume during MINATROC", Atmospheric Chemistry and Physics, vol. 5, no. 7: Copernicus GmbH, pp. 1787–1803, 2005.
Link: http://www.atmos-chem-phys.net/5/1787/
[1498] Holzinger, R.., A.. Lee, K.. T. Paw, and U.. A. H. Goldstein, "Observations of oxidation products above a forest imply biogenic emissions of very reactive compounds", Atmospheric Chemistry and Physics, vol. 5, pp. 67–75, Jan, 2005.
Link: http://dx.doi.org/10.5194/acp-5-67-2005
Abstract
<p>Vertical gradients of mixing ratios of volatile organic compounds have been measured in a Ponderosa pine forest in Central California (38.90&deg; N, 120.63&deg; W, 1315m). These measurements reveal large quantities of previously unreported oxidation products of short lived biogenic precursors. The emission of biogenic precursors must be in the range of 13-66&micro;mol m-2h-1 to produce the observed oxidation products. That is 6-30 times the emissions of total monoterpenes observed above the forest canopy on a molar basis. These reactive precursors constitute a large fraction of biogenic emissions at this site, and are not included in current emission inventories. When oxidized by ozone they should efficiently produce secondary aerosol and hydroxyl radicals.</p>
[1647] Jobson, B.T.., M.L.. Alexander, G.D.. Maupin, and G.G.. Muntean, "On-line analysis of organic compounds in diesel exhaust using a proton transfer reaction mass spectrometer (PTR-{MS})", International Journal of Mass Spectrometry, vol. 245, pp. 78–89, Aug, 2005.
Link: http://dx.doi.org/10.1016/j.ijms.2005.05.009
Abstract
Chemical ionization mass spectrometry using H3O+ proton transfer in an ion drift tube (PTR-MS) was used to measure volatile organic compound (VOC) concentrations on-line in diesel engine exhaust as a function of engine load. The purpose of the study was to evaluate the PTR-MS instrument as an analytical tool for diesel engine emissions abatement research. Measured sensitivities determined from gas standards were found to agree well with calculated sensitivities for non-polar species. A slight humidity dependent sensitivity was observed for non-polar species, implying that reactions with H+(H2O)2 were important for some organics. The diesel exhaust mass spectra were complex but displayed a pattern of strong ion signals at 14n + 1 (n = 3.8) masses, with a relative ion abundance similar to that obtained from electron impact ionization of alkanes. Laboratory experiments verified that C8–C16n-alkanes and C8–C13 1-alkenes react with H3O+ in dissociative proton transfer reaction resulting in alkyl cation ion products, primarily m/z 41, 43, 57, 71 and 85. Monitoring the sum of these ion signals may be useful for estimating alkane emissions from unburnt diesel fuel. Alkane fragmentation likely simplified the diesel exhaust mass spectrum and reduced potential mass interferences with isobaric aromatic compounds. Concentrations of aldehydes and ketones dominated those of aromatic species with formaldehyde and acetaldehyde estimated to be the most abundant VOCs in the PTR-MS mass spectrum at all engine loads. The relative abundances of benzene and toluene increased with engine load indicating their pyrogenic origin. The relative abundance of alkanes, aromatics, aldehydes and alcohols was broadly consistent with literature publications of diesel exhaust analysis by gas chromatography. About 75% of the organic ion signal could be assigned. On-line analysis of diesel exhaust using this technology may be valuable tool for diesel engine emission research.
[Ruuskanen2005] Ruuskanen, T. M., P. Kolari, J. Bäck, M. Kulmala, J. Rinne, H. Hakola, R. Taipale, M. Raivonen, N. Altimir, and P. Hari, "On-line field measurements of monoterpene emissions from Scots pine by proton-transfer-reaction mass spectrometry", Boreal environment research, vol. 10, no. 6, pp. 553–567, 2005.
Link: http://www.helsinki.fi/herc/research/URPOpublications/URPO_Ruuskanen%20et%20al%2005%5B1%5D.pdf
[Rinne2005] Rinne, J., T. M. Ruuskanen, A. Reissell, R. Taipale, H. Hakola, and M. Kulmala, "On-line PTR-MS measurements of atmospheric concentrations of volatile organic compounds in a European boreal forest ecosystem", Boreal environment research, vol. 10, no. 5, pp. 425–436, 2005.
Link: http://www.borenv.net/BER/pdfs/ber10/ber10-425.pdf
[Warneke2005] Warneke, C., S. Kato, J. A. { De Gouw}, P. D. Goldan, W. C. Kuster, M. Shao, E. R. Lovejoy, R. Fall, and F. C. Fehsenfeld, "Online volatile organic compound measurements using a newly developed proton-transfer ion-trap mass spectrometry instrument during New England Air Quality Study–Intercontinental Transport and Chemical Transformation 2004: performance, intercomparison, a", Environ Sci Technol, vol. 39, no. 14: National Oceanic and Atmospheric Administration, Aeronomy Laboratory, 325 Broadway, Boulder, Colorado 80305, USA. Carsten.Warneke@noaa.gov, pp. 5390–5397, Jul, 2005.
Link: http://pubs.acs.org/doi/abs/10.1021/es050602o
Abstract
We have used a newly developed proton-transfer ion-trap mass spectrometry (PIT-MS) instrument for online trace gas analysis of volatile organic compounds (VOCs) during the 2004 New England Air Quality Study-Intercontinental Transport and Chemical Transformation study. The PIT-MS instrument uses proton-transfer reactions with H3O+ ions to ionize VOCs, similarto a PTR-MS (proton-transfer reaction mass spectrometry) instrument but uses an ion trap mass spectrometer to analyze the product ions. The advantages of an ion trap are the improved identification of VOCs and a near 100% duty cycle. During the experiment, the PIT-MS instrument had a detection limit between 0.05 and 0.3 pbbv (S/N = 3 (signal-to-noise ratio)) for 2-min integration time for most tested VOCs. PIT-MS was used for ambient air measurements onboard a research ship and agreed well with a gas chromatography mass spectrometer). The comparison included oxygenated VOCs, aromatic compounds, and others such as isoprene, monoterpenes, acetonitrile, and dimethyl sulfide. Automated collision-induced dissociation measurements were used to determine the contributions of acetone and propanal to the measured signal at 59 amu; both species are detected at this mass and are thus indistinguishable in conventional PTR-MS.
[Beauchamp2005] Beauchamp, J., A. Wisthaler, A. Hansel, E. Kleist, M. Miebach, ÜLO. NIINEMETS, U. Schurr, and JÜRGEN. WILDT, "Ozone induced emissions of biogenic VOC from tobacco: relationships between ozone uptake and emission of LOX products", Plant, Cell & Environment, vol. 28, no. 10: Wiley Online Library, pp. 1334–1343, 2005.
Link: http://onlinelibrary.wiley.com/doi/10.1111/j.1365-3040.2005.01383.x/full
Abstract
Volatile organic compound (VOC) emissions from tobacco (Nicotiana tabacum L. var. Bel W3) plants exposed to ozone (O3) were investigated using proton-transfer-reaction mass-spectrometry (PTR-MS) and gas chromatography mass-spectrometry (GC-MS) to find a quantitative reference for plants’ responses to O3 stress. O3 exposures to illuminated plants induced post-exposure VOC emission bursts. The lag time for the onset of volatile C6 emissions produced within the octadecanoid pathway was found to be inversely proportional to O3 uptake, or more precisely, to the O3 flux density into the plants. In cases of short O3 pulses of identical duration the total amount of these emitted C6 VOC was related to the O3 flux density into the plants, and not to ozone concentrations or dose–response relationships such as AOT 40 values. Approximately one C6 product was emitted per five O3 molecules taken up by the plant. A threshold flux density of O3 inducing emissions of C6 products was found to be (1.6 ± 0.7) × 10−8 mol m−2 s−1.
[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.
Link: http://pubs.acs.org/doi/abs/10.1021/es047992j
Abstract
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.
[Biasioli2005] Biasioli, F., F. Gasperi, E. Aprea, D. Mott, I. Endrizzi, V. Framondino, and T. D. Märk, "PTR-MS in agroindustrial applications: a methodological perspective", Mass Spectrometry and Its Applications, pp. 77, 2005.
Link: http://www.uibk.ac.at/iup/infofolder/contributions_ptrms.pdf#page=88

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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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