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Scientific Articles - PTR-MS Bibliography

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Found 35 results
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2015
[1707] Zein, A. El, C. Coeur, E. Obeid, A. Lauraguais, and T. Fagniez, "Reaction Kinetics of Catechol (1,2-Benzenediol) and Guaiacol (2-Methoxyphenol) with Ozone.", J Phys Chem A, vol. 119, pp. 6759–6765, Jul, 2015.
Link: http://dx.doi.org/10.1021/acs.jpca.5b00174
Abstract
<p>The kinetic reactions of 1,2-benzenediol (catechol) and 2-methoxyphenol (guaiacol) with ozone were studied in a simulation chamber (8 m(3)) under dark conditions. The rate coefficients were measured at 294 &plusmn; 2 K, atmospheric pressure and dry conditions (relative humidity, RH &lt; 1%), except for 1,2-benzenediol where they were also measured as a function of relative humidity (RH = 1-80%). The concentrations of organic compounds were followed by a PTR-ToF-MS for a continuous monitoring of gas-phase species. The O3 rate coefficients were obtained using both the pseudo-first-order and relative rate methods. The values (in cm(3) molecule(-1) s(-1)) determined for catechol and guaiacol under dry conditions are (13.5 &plusmn; 1.1) &times; 10(-18) and (0.40 &plusmn; 0.31) &times; 10(-18), respectively. The rate coefficient of catechol was found to be independent of RH below 20% and above 60%, whereas for RH between 20% and 60% it decreases with increasing RH. The determined rate coefficients have been used to evaluate the atmospheric lifetime of each compound with respect to O3. To our knowledge, this study represents the first determination of the ozone rate coefficient with guaiacol and is also the first kinetic investigation for the influence of the relative humidity on the oxygenated aromatic ozonolysis.</p>
2014
[1468] Luchner, M., T. Schmidberger, and G. Striedner, "Real-Time Approach", European Biopharmaceutical Review, vol. 1, pp. 52–55, 01/2014.
Link: http://edition.pagesuite-professional.co.uk/Launch.aspx?PBID=587773cf-29c4-46f2-9d9d-2f87bf178b5c
Abstract
<p>The complexity of using living cells as production system for modern biopharmaceuticals represents a major challenge in bioprocess design and control. Real-time access to relevant process variables is limited - however, proton transfer reaction mass spectrometers hold great potential to change this.</p>
[1523] Herbig, J.., R.. Gutmann, K.. Winkler, A.. Hansel, and G.. Sprachmann, "Real-Time Monitoring of Trace Gas Concentrations in Syngas", Oil Gas Sci. Technol. Rev. IFP Energies nouvelles, vol. 69, pp. 363–372, August, 2014.
Link: http://ogst.ifpenergiesnouvelles.fr/articles/ogst/abs/2014/02/ogst120243/ogst120243.html
Abstract
<p>EN: A Proton Transfer Reaction Mass Spectrometer (PTR-MS) was used for the analysis of syngas in an industrial Fischer-Tropsch process. A PTR-MS can detect a variety of volatile organic and inorganic compounds in real-time and with high sensitivity. Together with a multiplexer, this allows for online (real-time) monitoring of the trace contaminations at different stages of a Fischer-Tropsch process. Several volatile compounds, such as HCN, H2S, RSH, carbonyls, acids, alcohols and others have been measured in Syngas. This paper describes the setup to monitor syngas using PTR-MS and summarizes the result of this proof-of-principle project. FR: Un spectromètre de masse par réaction de transfert de protons (PTR-MS, Proton Transfer Reaction &ndash; Mass Spectrometer) a été utilisé pour l&rsquo;analyse de gaz de synthèse dans un procédé industriel Fischer-Tropsch. Un PTR-MS peut détecter une grande variété de composés organiques et inorganiques volatils en temps réel et avec une sensibilité élevée. Associé à un multiplexeur, il permet un suivi en ligne (en temps réel) des contaminants à l&rsquo;état de traces à différents stades d&rsquo;un procédé Fischer-Tropsch. Plusieurs composés volatils, tels que HCN, H2S, RSH, des carbonyles, des acides, des alcools et autres, ont été mesurés dans du gaz de synthèse. Cet article décrit la configuration pour le suivi du gaz de synthèse en utilisant le PTR-MS et résume le résultat de ce projet de preuve de concept.</p>
[1665] Yanagisawa, N., "Results of on-line measurement of organic compounds adsorbed on diesel exhaust particles by PTR-TOFMS", (Poster) 18th ETH Conference on Combustion Generated Nanoparticles, vol. 18, June, 2014.
Link: http://www.nanoparticles.ch/2014_ETH-NPC-18/Yanagisawa.pdf
Abstract
Organic compounds in particle-phase of diesel emission are of interest in view of particle nature and origin. In this work, particle‐phase organic compounds from a modern diesel engine were analyzed using on-line PTR‐TOFMS (Proton Transfer Reaction – Time of Flight Mass Spectrometer). To analyze particle-phase organic compounds, sampled exhaust was passed through a heating tube upstream of PTR-TOFMS. The results show that higher molecular weight compounds had higher portion in particle-phase and concentration changes corresponded to operating condition change of the engine.
2013
[Morisco2013] Morisco, F., E. Aprea, V. Lembo, V. Fogliano, P. Vitaglione, G. Mazzone, L. Cappellin, F. Gasperi, S. Masone, G. Domenico { De Palma}, et al., "Rapid "breath-print" of liver cirrhosis by proton transfer reaction time-of-flight mass spectrometry. A pilot study.", PLoS One, vol. 8, no. 4: Department of Clinical Medicine and Surgery, University of Naples Federico II, Naples, Italy. filomena.morisco@unina.it, pp. e59658, 2013.
Link: http://dx.doi.org/10.1371/journal.pone.0059658
Abstract
The aim of the present work was to test the potential of Proton Transfer Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS) in the diagnosis of liver cirrhosis and the assessment of disease severity by direct analysis of exhaled breath. Twenty-six volunteers have been enrolled in this study: 12 patients (M/F 8/4, mean age 70.5 years, min-max 42-80 years) with liver cirrhosis of different etiologies and at different severity of disease and 14 healthy subjects (M/F 5/9, mean age 52.3 years, min-max 35-77 years). Real time breath analysis was performed on fasting subjects using a buffered end-tidal on-line sampler directly coupled to a PTR-ToF-MS. Twelve volatile organic compounds (VOCs) resulted significantly differently in cirrhotic patients (CP) compared to healthy controls (CTRL): four ketones (2-butanone, 2- or 3- pentanone, C8-ketone, C9-ketone), two terpenes (monoterpene, monoterpene related), four sulphur or nitrogen compounds (sulfoxide-compound, S-compound, NS-compound, N-compound) and two alcohols (heptadienol, methanol). Seven VOCs (2-butanone, C8-ketone, a monoterpene, 2,4-heptadienol and three compounds containing N, S or NS) resulted significantly differently in compensate cirrhotic patients (Child-Pugh A; CP-A) and decompensated cirrhotic subjects (Child-Pugh B+C; CP-B+C). ROC (Receiver Operating Characteristic) analysis was performed considering three contrast groups: CP vs CTRL, CP-A vs CTRL and CP-A vs CP-B+C. In these comparisons monoterpene and N-compound showed the best diagnostic performance.Breath analysis by PTR-ToF-MS was able to distinguish cirrhotic patients from healthy subjects and to discriminate those with well compensated liver disease from those at more advanced severity stage. A breath-print of liver cirrhosis was assessed for the first time.
[Avison2013] Avison, S. J., "Real-Time Flavor Analysis: Optimization of a Proton-Transfer-Mass Spectrometer and Comparison with an Atmospheric Pressure Chemical Ionization Mass Spectrometer with an MS-Nose Interface.", J Agric Food Chem, vol. -: Firmenich S.A., Rue de la Bergère 7, Meyrin 2, CH-1217 Geneva, Switzerland., pp. -, Feb, 2013.
Link: http://dx.doi.org/10.1021/jf304418y
Abstract
Two techniques are recognized for the real-time analysis of flavors during eating and drinking, atmospheric pressure chemical ionization mass spectrometry (APCI-MS), and proton transfer reaction mass spectrometry (PTR-MS). APCI-MS was developed for the analysis of flavors and fragrances, whereas PTR-MS was originally developed and optimized for the analysis of atmospheric pollutants. Here, the suitability of the two techniques for real-time flavor analysis is compared, using a varied range of common flavor compounds. An Ionicon PTR-MS was first optimized and then its performance critically compared with that of APCI-MS. Performance was gauged using the capacity for soft ionization, dynamic linear range, and limit of detection. Optimization of the PTR-MS increased the average sensitivity by a factor of more than 3. However, even with this increase in sensitivity, the Limit of Detection was typically 10 times higher and the Dynamic Linear Range ten times narrower than that of the APCI-MS.
[Gutmann2013] Gutmann, R., M. Luchner, J. Herbig, F. Strobl, H. Armin, K. Bayer, and G. Striedner, "Realtime measurement of volatile components in the bioreactor via proton transfer reaction mass spectrometry (PTR-MS)–an approach for advanced bioprocess monitoring", 6th International PTR-MS Conference on Proton Transfer Reaction Mass Spectrometry and Its Applications, pp. 32, 2013.
Link: http://www.uibk.ac.at/iup/buch_pdfs/ptrms_2013.pdf#page=33
[Winkler2013] Winkler, K., J. Herbig, and I. Kohl, "Real-time metabolic monitoring with proton transfer reaction mass spectrometry", Journal of breath research, vol. 7, no. 3: IOP Publishing, pp. 036006, 2013.
Link: http://iopscience.iop.org/1752-7163/7/3/036006
Abstract
<p><span style="color: rgb(0, 0, 0); font-family: Arial, Helvetica, Verdana, sans-serif; font-size: 12px; line-height: 16.1875px; background-color: rgb(255, 255, 255);">We analysed the time evolution of several volatile organic compounds formed by the catabolism of ingested isotope-labelled ethanol using real-time breath gas analysis with proton-transfer-reaction mass spectrometry. Isotope labelling allowed distinguishing the emerging volatile metabolites from their naturally occurring, highly abundant counterparts in the human breath. Due to an extremely low detection limit of the employed technologies in the parts per trillion per volume range, it was possible to detect the emerging metabolic products in exhaled breath within ~10&nbsp;min after oral ingestion of isotope-labelled ethanol. We observed that ethanol was in part transformed into deuterated acetone and isoprene, reflecting the different fates of activated acetic acid (acetyl-coenzyme A), formed in ethanol metabolism. Using ethanol as a model clearly demonstrated the value of the here presented technique for the search for volatile markers for metabolic disorders in the exhaled breath and its potential usefulness in the diagnosis and monitoring of such diseases.</span></p>
[1700] Zhu, L., G. Wolfgang Schade, and C. Jørgen Nielsen, "Real-time monitoring of emissions from monoethanolamine-based industrial scale carbon capture facilities.", Environ Sci Technol, vol. 47, pp. 14306–14314, Dec, 2013.
Link: http://dx.doi.org/10.1021/es4035045
Abstract
<p>We demonstrate the capabilities and properties of using Proton Transfer Reaction time-of-flight mass spectrometry (PTR-ToF-MS) to real-time monitor gaseous emissions from industrial scale amine-based carbon capture processes. The benchmark monoethanolamine (MEA) was used as an example of amines needing to be monitored from carbon capture facilities, and to describe how the measurements may be influenced by potentially interfering species in CO2 absorber stack discharges. On the basis of known or expected emission compositions, we investigated the PTR-ToF-MS MEA response as a function of sample flow humidity, ammonia, and CO2 abundances, and show that all can exhibit interferences, thus making accurate amine measurements difficult. This warrants a proper sample pretreatment, and we show an example using a dilution with bottled zero air of 1:20 to 1:10 to monitor stack gas concentrations at the CO2 Technology Center Mongstad (TCM), Norway. Observed emissions included many expected chemical species, dominantly ammonia and acetaldehyde, but also two new species previously not reported but emitted in significant quantities. With respect to concerns regarding amine emissions, we show that accurate amine quantifications in the presence of water vapor, ammonia, and CO2 become feasible after proper sample dilution, thus making PTR-ToF-MS a viable technique to monitor future carbon capture facility emissions, without conventional laborious sample pretreatment.</p>
[Rodiera2013] Rodiera, J., J. Santaliestra, J. Miquelay, A. Archidona, S. Montesinos, and C. Rodiera, "Real-time monitoring of end-tidal propofol in exhaled air: where we were, where we are, and where we would like to be. Preliminary results: 3AP2-3", European Journal of Anaesthesiology (EJA), vol. 30: LWW, pp. 41–41, 2013.
Link: http://journals.lww.com/ejanaesthesiology/Abstract/2013/06001/Real_time_monitoring_of_end_tidal_propofol_in.126.aspx
Abstract
Background and Goal of Study: There have been several studies published about the presence of propofol particles in exhaled air. However, it is not clear whether this technique can be reliable and reproducible as to have a clear impact on research or clinical practice. In the past years we have been working on improving the methodology and optimizing the results, improving sampling and data collection to increase the sensitivity and accuracy. A LabView (National Instruments) application developed allows the connection of the infusion pumps, vital signs monitor, BIS and PTR‐MS (QMS Ionicon High Sensitivity Proton Transfer Reaction Mass Spectrometer), which allows automatic real‐time data collection. We have now developed a new sampling cannula of low absorbent material (PEEK) which introduced into the oro‐tracheal tube allows taking the sample. Simultaneously, the sampling system has been improved by heating it and including a micro valve that allows air sampling, exclusively on the expiratory phase.Materials and Methods: 300 patients, 18‐60 years old both sexes ASA I II, scheduled for surgery under general anesthesia were involved. Vital signs, TCI parameters and the propofol concentration (178+1 amu), acetone (58+1 amu) and isoprene (68+1 amu) in expired air are recorded. Propofol concentrations in expired air are being compared with the plasmatic concentration and effect offered by the TCI, as well as its correlation with BIS.Results and Discussion: With the improvements introduced, the exhaled propofol can now be monitored with a reproducible method, in which variations in the propofol infusion generate changes in exhaled propofol concentration. In the preliminary results, these changes correlate with all plasma concentration, effect concentration and BIS. Preliminary results reveal that the average concentrations of propofol in air are of 48ppb for Plasmatic TCI concentrations of 2.5 mcg/ml, 55ppb for 3mcg/ml and 68ppb for 4mcg/ml we will have to wait for the completion of the study to offer more consistent and definitive results.Conclusion(s): Improvements introduced in the sample system together with the automation of data collection, allow us to perform studies in large series of patients with reproducibility and accuracy. If the results are confirmed, it could be possible to use this technique as a non invasive propofol monitoring. It would also lead to think that, in the future, a propofol pharmacokinetic model of the lung could be defined.
[Yeretzian2013] Yeretzian, C., A. N. Gloess, B. Schoenbaechler, M. Wellinger, A. Neff, and F. Wieland, "Recent Applications of PTR-ToF-MS in Coffee Research", CONFERENCE SERIES, pp. 67, 2013.
Link: http://www.ionicon.com/sites/default/files/uploads/doc/contributions_ptr_ms_Conference_6.pdf
[Hansen2013] Hansen, M. Jørgen, A. Peter S. Adamsen, and A. Feilberg, "Recovery of Odorants from an Olfactometer Measured by Proton-Transfer-Reaction Mass Spectrometry", Sensors, vol. 13, no. 6: Multidisciplinary Digital Publishing Institute, pp. 7860–7871, 2013.
Link: http://www.mdpi.com/1424-8220/13/6/7860
Abstract
The aim of the present study was to examine the recovery of odorants during the dilution in an olfactometer designed according to the European standard for dynamic olfactometry. Nine odorants in the ppmv-range were examined including hydrogen sulfide, methanethiol, dimethyl sulfide, acetic acid, propanoic acid, butanoic acid, trimethylamine, 3-methylphenol and n-butanol. Each odorant was diluted in six dilution steps in descending order from 4,096 to 128 times dilutions. The final recovery of dimethyl sulfide and n-butanol after a 60-second pulse was only slightly affected by the dilution, whereas the recoveries of the other odorants were significantly affected by the dilution. The final recoveries of carboxylic acids, trimethylamine and 3-methylphenol were affected by the pulse duration and the signals did not reach stable levels within the 60-second pulse, while sulfur compounds and n-butanol reach a stable signal within a few seconds. In conclusion, the dilution of odorants in an olfactometer has a high impact on the recovery of odorants and when olfactometry is used to estimate the odor concentration, the recoveries have to be taken into consideration for correct measurements.
2012
[Juerschik2012] Juerschik, S., B. Agarwal, T. Kassebacher, P. Sulzer, C. A. Mayhew, and T. D. Märk, "Rapid and facile detection of four date rape drugs in different beverages utilizing proton transfer reaction mass spectrometry (PTR-MS).", J Mass Spectrom, vol. 47, no. 9: IONICON Analytik GmbH., Eduard-Bodem-Gasse 3, 6020, Innsbruck, Austria., pp. 1092–1097, Sep, 2012.
Link: http://dx.doi.org/10.1002/jms.2993
Abstract
In this work, we illustrate the application of proton transfer reaction mass spectrometry (PTR-MS) in the field of food and drink safety. We present proof-of-principle measurements of four different drinks (water, tea, red wine and white wine) each spiked separately with four different date rape drugs (chloral hydrate, tricholorethanol, γ-butyrolactone and butanediol). At first, the ideal PTR-MS operating conditions (reduced electric field strength and monitoring the most abundant [fragment] ion) for detection of the drugs were determined utilizing a time-of-flight-based PTR-MS instrument. We then dissolved small quantities of the drugs (below the activation threshold for effects on humans) into the various types of drinks and detected them using a quadrupole-based PTR-MS instrument via two different sampling methods: (1) dynamic headspace sampling and (2) direct liquid injection. Both methods have their advantages and drawbacks. Only with dynamic headspace sampling can rape drug contaminations be detected within a timeframe of seconds, and therefore, this method is the most promising use of PTR-MS as a fast, sensitive and selective monitor for the detection of food and drink contamination.
[Farneti2012] Farneti, B., S. M. Cristescu, G. Costa, F. J. M. Harren, and E. J. Woltering, "Rapid tomato volatile profiling by using proton-transfer reaction mass spectrometry (PTR-MS).", J Food Sci, vol. 77, no. 5: Horticultural Supply Chains Group, Wageningen Univ., Droevendaalsesteeg 1, 6708 PD Wageningen, The Netherlands. brian.farneti@gmail.com, pp. C551–C559, May, 2012.
Link: http://dx.doi.org/10.1111/j.1750-3841.2012.02679.x
Abstract
The availability of rapid and accurate methods to assess fruit flavor is of utmost importance to support quality control especially in the breeding phase. Breeders need more information and analytical tools to facilitate selection for complex multigenic traits such as flavor quality. In this study, it is shown that proton-transfer reaction mass spectrometry (PTR-MS) is a suitable method to monitor at high sensitivity the emission of volatiles determining the tomato aromatic profile such as hexanal, hexenals, methanol, ethanol, and acetaldehyde. The volatiles emitted by 14 tomato varieties (at red stage) were analyzed by 2 solvent-free headspace methods: solid-phase microextraction/gas chromatography MS and PTR-MS. Multivariate statistics (principal component analysis and cluster analysis) of the PTR-MS results allow an unambiguous separation between varieties, especially with a clear fingerprinting separation between the different tomato types: round truss, cocktail, and cherry tomatoes. PTR-MS was also successfully used to monitor the changes in volatile profiles during postharvest ripening and storage.
[Dam2012] van Dam, N. M., D. Samudrala, F. J. M. Harren, and S. M. Cristescu, "Real-time analysis of sulfur-containing volatiles in Brassica plants infested with root-feeding Delia radicum larvae using proton-transfer reaction mass spectrometry.", AoB Plants, vol. 2012: Department of Ecogenomics , Institute for Water and Wetland Research (IWWR) , Radboud University Nijmegen , Nijmegen, 6525 AJ , The Netherlands., pp. pls021, 2012.
Link: http://dx.doi.org/10.1093/aobpla/pls021
Abstract
Plants damaged by herbivores emit a variety of volatile organic compounds (VOCs). Here we used proton-transfer reaction mass spectrometry (PTR-MS) as a sensitive detection method for online analysis of herbivore-induced VOCs. Previously, it was found that Brassica nigra plants emit several sulfur-containing VOCs when attacked by cabbage root fly (Delia radicum) larvae with m/z 60 as a marker for the formation of allylisothiocyanate from the glucosinolate sinigrin. We tested the hypothesis that m/z 60 emission occurs only in plants with sinigrin in their roots. Additionally, we tested the hypothesis that methanethiol, dimethylsulfide and dimethyldisulfide are only emitted after larval infestation.Proton-transfer reaction mass spectrometry was used to track sulfur-containing VOCs from six different species of Brassica over time. The roots were either artificially damaged or infested with cabbage root fly larvae. Glucosinolate profiles of the roots were analysed using high-pressure liquid chromatography and compared with VOC emissions.Brassica nigra, B. juncea and B. napus primarily emitted m/z 60 directly after artificial damage or root fly infestation. Sulfide and methanethiol emissions from B. nigra and B. juncea also increased after larval damage but much later (6-12 h after damage). Brassica rapa, B. oleracea and B. carinata principally emitted methanethiol after artificial and after larval damage. Brassica oleracea and B. carinata showed some increase in m/z 60 emission after larval damage. Comparison with root glucosinolate profiles revealed that sinigrin cannot be the only precursor for m/z 60.The principal compound emitted after root damage is determined by the plant species, and not by damage type or root glucosinolate composition. Once determined, the principal compounds may be used as markers for identifying damaged or infested plants. Further analyses of plant enzymes involved in the breakdown of sulfur compounds is needed to reveal the origin of sulfur-containing VOCs from plants.
[Mallette2012] Mallette, N. D., B. W Knighton, G. A. Strobel, R. P. Carlson, and B. M. Peyton, "Resolution of volatile fuel compound profiles from Ascocoryne sarcoides: a comparison by proton transfer reaction-mass spectrometry and solid phase microextraction gas chromatography-mass spectrometry.", AMB Express, vol. 2, no. 1: Department of Chemical and Biological Engineering, Montana State University, Bozeman MT 59717, USA. BPeyton@coe.montana.edu., pp. 23, 2012.
Link: http://dx.doi.org/10.1186/2191-0855-2-23
Abstract
Volatile hydrocarbon production by Ascocoryne sacroides was studied over its growth cycle. Gas-phase compounds were measured continuously with a proton transfer reaction-mass spectrometry (PTR-MS) and at distinct time points with gas chromatography-mass spectrometry (GC-MS) using head space solid phase microextraction (SPME). The PTR-MS ion signal permitted temporal resolution of the volatile production while the SPME results revealed distinct compound identities. The quantitative PTR-MS results showed the volatile production was dominated by ethanol and acetaldehyde, while the concentration of the remainder of volatiles consistently reached 2,000 ppbv. The measurement of alcohols from the fungal culture by the two techniques correlated well. Notable compounds of fuel interest included nonanal, 1-octen-3-ol, 1-butanol, 3-methyl- and benzaldehyde. Abiotic comparison of the two techniques demonstrated SPME fiber bias toward higher molecular weight compounds, making quantitative efforts with SPME impractical. Together, PTR-MS and SPME GC-MS were shown as valuable tools for characterizing volatile fuel compound production from microbiological sources.
[1589] Bracho-Nunez, A., N. Maria Knothe, W. R. Costa, L. R. {Maria Astrid}, B. Kleiss, S. Rottenberger, M. Teresa Fer Piedade, and J. Kesselmeier, "Root anoxia effects on physiology and emissions of volatile organic compounds (VOC) under short- and long-term inundation of trees from Amazonian floodplains.", Springerplus, vol. 1, pp. 9, 2012.
Link: http://dx.doi.org/10.1186/2193-1801-1-9
Abstract
<p>Volatile organic compound (VOC) emissions are affected by a variety of biotic and abiotic factors such as light intensity, temperature, CO2 and drought. Another stress factor, usually overlooked but very important for the Amazon region, is flooding. We studied the exchange of VOCs in relation to CO2 exchange and transpiration of 8 common tree species from the Amazonian floodplain forest grown up from seeds using a dynamic enclosure system. Analysis of volatile organics was performed by PTR-MS fast online measurements. Our study confirmed emissions of ethanol and acetaldehyde at the beginning of root anoxia after inundation, especially in less anoxia adapted species such as Vatairea guianensis, but not for Hevea spruceana probably due to a better adapted metabolism. In contrast to short-term inundation, long-term flooding of the root system did not result in any emission of ethanol or/and acetaldehyde. Emission of other VOCs, such as isoprenoids, acetone, and methanol exhibited distinct behavior related to the origin (igapó or várzea type of floodplain) of the tree species. Also physiological activities exhibited different response patterns for trees from igapó or várzea. In general, isoprenoid emissions increased within the course of some days of short-term flooding. After a long period of waterlogging, VOC emissions decreased considerably, along with photosynthesis, transpiration and stomatal conductance. However, even under long-term testing conditions, two tree species did not show any significant decrease or increase in photosynthesis. In order to understand ecophysiological advantages of the different responses we need field investigations with adult tree species.</p>
2011
[DelPulgar2011] Del Pulgar}, Jé. Sánchez {, C. Soukoulis, F. Biasioli, L. Cappellin, C. García, F. Gasperi, P. Granitto, T. D. Maerk, E. Piasentier, and E. Schuhfried, "Rapid characterization of dry cured ham produced following different PDOs by proton transfer reaction time of flight mass spectrometry (PTR-ToF-MS).", Talanta, vol. 85, no. 1: Food Technology, Facultad de Veterinaria, UEx, Campus Universitario s/n, 10003 Cáceres, Spain., pp. 386–393, Jul, 2011.
Link: http://dx.doi.org/10.1016/j.talanta.2011.03.077
Abstract
In the present study, the recently developed proton transfer reaction time of flight mass spectrometry (PTR-ToF-MS) technique was used for the rapid characterization of dry cured hams produced according to 4 of the most important Protected Designations of Origin (PDOs): an Iberian one (Dehesa de Extremadura) and three Italian ones (Prosciutto di San Daniele, Prosciutto di Parma and Prosciutto Toscano). In total, the headspace composition and respective concentration for nine Spanish and 37 Italian dry cured ham samples were analyzed by direct injection without any pre-treatment or pre-concentration. Firstly, we show that the rapid PTR-ToF-MS fingerprinting in conjunction with chemometrics (Principal Components Analysis) indicates a good separation of the dry cured ham samples according to their production process and that it is possible to set up, using data mining methods, classification models with a high success rate in cross validation. Secondly, we exploited the higher mass resolution of the new PTR-ToF-MS, as compared with standard quadrupole based versions, for the identification of the exact sum formula of the mass spectrometric peaks providing analytical information on the observed differences. The work indicates that PTR-ToF-MS can be used as a rapid method for the identification of differences among dry cured hams produced following the indications of different PDOs and that it provides information on some of the major volatile compounds and their link with the implemented manufacturing practices such as rearing system, salting and curing process, manufacturing practices that seem to strongly affect the final volatile organic profile and thus the perceived quality of dry cured ham.
[Lindinger2011] Lindinger, C., B. Agarwal, F. Petersson, S. Juerschik, P. Sulzer, A. Jordan, P. Watts, CA. Mayhew, K. Becker, and TD. Märk, "Recent developments in Proton-Transfer-Reaction Mass Spectrometry leading to new fields of application (eg illicit and designer drugs detection)", : IONICON Analytik, 2011.
Link: http://www.ionicon.com/downloads/Drugs_Poster_ASMS_web.pdf
[Kim2011] Kim, S., S. Choi, M. Lee, J. Kim, S. Lee, E. Kang, AB. Guenther, A. Turnipseed, and T. Karl, "Roles of Forest in Photochemistry near Seoul, South Korea, Preliminary findings for understanding towards", AGU Fall Meeting Abstracts, vol. 1, pp. 0441, 2011.
Link: http://adsabs.harvard.edu/abs/2011AGUFM.B51E0441K
Abstract
Recently, multiple research have highlighted important roles of BVOCs to understand regional air qualities of megacities in East Asian. The findings strongly urge multi-faceted research on emission and oxidation processes of BVOCs and potential impacts on regional air quality from the interactions between biosphere and atmosphere. To address these emerging research topics in a longer term, National Institute of Environmental Research of South Korea established a research site in the Taehwa Research Forest, located at the edge of the Seoul Metropolitan Area (population   25 million). A 40 meter high tower was built in a pine tree plantation (Pinus Koraiensis), surrounded by a natural broad leaf ecosystem. Three inlets were configured to characterize trace gas gradients, above canopy(40 m), top of the canopy (23 m) and inside of the canopy (5 m) and multi-level meteorological sensors include PAR sensors were set up. In the laboratory space, high-sensitivity Ionicon PTR-MS, and CO, NOx, SO2, and ozone analyzers are operational for continuous gradient measurements. We will present preliminary gradient measurements results of both antropogenic and biogenic VOCs to quantify emission and deposition potential of the compounds.In addition, ozone and their precursors such as CO, NOx measurement results at the site will be presented to discuss biosphere-atmosphere interactions and their impacts towards regional air quality.
2010
[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.
Link: http://dx.doi.org/10.1073/pnas.0904498106
Abstract
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.
[Beauchamp2010] Beauchamp, J.., F.. Kirsch, and A.. Buettner, "Real-time breath gas analysis for pharmacokinetics: monitoring exhaled breath by on-line proton-transfer-reaction mass spectrometry after ingestion of eucalyptol-containing capsules.", J Breath Res, vol. 4, no. 2: Sensory Analytics, Fraunhofer Institute for Process Engineering and Packaging (IVV), Giggenhauser Str. 35, D-85354 Freising, Germany. jonathan.beauchamp@ivv.fraunhofer.de, pp. 026006, Jun, 2010.
Link: http://dx.doi.org/10.1088/1752-7155/4/2/026006
Abstract
Eucalyptol (1,8-cineole) is a common active agent in non-prescription pharmaceutical products that is employed to clear the airways during mucus blockages. Following ingestion of a eucalyptol-containing capsule, the capsule dissolves in the gut and transfers eucalyptol into the blood, which is subsequently expelled via the lungs, thus exposing this decongesting and inflammation-abating compound to the airways. The breath gas concentrations of eucalyptol in 11 healthy adult volunteers were monitored at regular intervals after capsule ingestion using on-line proton-transfer-reaction mass spectrometry (PTR-MS). Eucalyptol appeared in exhaled breath gas at varying times following ingestion, with its onset ranging from 1 h and 6 min to 4 h and 48 min (mean ± SD: 2.1 ± 0.5 h). Maximum concentrations also varied greatly, with peak eucalyptol levels between 106 and 1589 ppb(v) (mean ± SD: 489 ± 319 ppb(v)). These variations were not only inter-subject, but also intra-subject, i.e. repeated tests with the same participant yielded different onset times and a broad range of concentration maxima. A considerable contribution to these variations from infrequent sampling and analysis is discussed. This study characterized the temporal transfer of eucalyptol via the blood into the airways by examining exhaled breath and thereby demonstrated the suitability of on-line breath gas analyses, particularly PTR-MS, for certain pharmacokinetic investigations.
[Schaub2010] Schaub, A., J. D. Blande, M. Graus, E. Oksanen, J. K. Holopainen, and A. Hansel, "Real-time monitoring of herbivore induced volatile emissions in the field.", Physiol Plant, vol. 138, no. 2: Ionicon Analytik GmbH, Technikerstrasse 21a, 6020 Innsbruck, Austria., pp. 123–133, Feb, 2010.
Link: http://dx.doi.org/10.1111/j.1399-3054.2009.01322.x
Abstract
When plants are damaged by herbivorous insects they emit a blend of volatile organic compounds (VOCs) which include a range or terpenoids and green leaf volatiles (GLVs) formed via different metabolic pathways. The precise timing of these emissions upon the onset of herbivore feeding has not been fully elucidated, and the information that is available has been mainly obtained through laboratory based studies. We investigated emissions of VOCs from Populus tremula L. xP. tremuloides Michx. during the first 20 h of feeding by Epirrita autumnata (autumnal moth) larvae in a field site. The study was conducted using Proton Transfer Reaction-Mass Spectrometry (PTR-MS) to measure emissions online, with samples collected for subsequent analysis by complementary gas chromatography-mass spectrometry for purposes of compound identification. GLV emission peaks occurred sporadically from the outset, indicating herbivore activity, while terpene emissions were induced within 16 h. We present data detailing the patterns of monoterpene (MT), GLV and sesquiterpene (SQT) emissions during the early stages of herbivore feeding showing diurnal MT and SQT emission that is correlated more with temperature than light. Peculiarities in the timing of SQT emissions prompted us to conduct a thorough characterization of the equipment used to collect VOCs and thus corroborate the accuracy of results. A laboratory based analysis of the throughput of known GLV, MT and SQT standards at different temperatures was made with PTR-MS. Enclosure temperatures of 12, 20 and 25 degrees C had little influence on the response time for dynamic measurements of a GLV or MT. However, there was a clear effect on SQT measurements. Elucidation of emission patterns in real-time is dependent upon the dynamics of cuvettes at different temperatures.
2009
[Lauverjat2009a] Lauverjat, C., C. de Loubens, I. Déléris, I. Cristian Tréléa, and I. Souchon, "Rapid determination of partition and diffusion properties for salt and aroma compounds in complex food matrices", Journal of Food Engineering, vol. 93, no. 4: Elsevier, pp. 407–415, 2009.
Link: http://www.sciencedirect.com/science/article/pii/S0260877409000685
Abstract
The measurement of physicochemical properties, such as partition or diffusion coefficients of small molecules like salt and aroma compounds, represents an important challenge to better understanding stimuli release and perception. Owing to the lack of simple and fast methods, we developed three methods for practical and rapid determination of partition and diffusion coefficients respectively of salt and aroma compounds. Our approach is based on the combination of on-line measurements with mechanistic modelling leading to accurate determination of these two parameters. Validation was performed by comparing the values obtained with agar gel and model cheeses to those available in the literature.
[Petersson2009] Petersson, F., P. Sulzer, C. A. Mayhew, P. Watts, A. Jordan, L. Märk, and T. D. Märk, "Real-time trace detection and identification of chemical warfare agent simulants using recent advances in proton transfer reaction time-of-flight mass spectrometry.", Rapid Commun Mass Spectrom, vol. 23, no. 23: Institut für Ionenphysik und Angewandte Physik, Leopold Franzens Universität Innsbruck, Technikerstr. 25, A-6020 Innsbruck, Austria., pp. 3875–3880, Dec, 2009.
Link: http://dx.doi.org/10.1002/rcm.4334
Abstract
This work demonstrates for the first time the potential of using recent developments in proton transfer reaction mass spectrometry for the rapid detection and identification of chemical warfare agents (CWAs) in real-time. A high-resolution (m/Deltam up to 8000) and high-sensitivity (approximately 50 cps/ppbv) proton transfer reaction time-of-flight mass spectrometer (PTR-TOF 8000 from Ionicon Analytik GmBH) has been successfully used to detect a number of CWA simulants at room temperature; namely dimethyl methylphosphonate, diethyl methylphosphonate, diisopropyl methylphosphonate, dipropylene glycol monomethyl ether and 2-chloroethyl ethyl sulfide. Importantly, we demonstrate in this paper the potential to identify CWAs with a high level of confidence in complex chemical environments, where multiple threat agents and interferents could also be present in trace amounts, thereby reducing the risk of false positives. Instantaneous detection and identification of trace quantities of chemical threats using proton transfer reaction mass spectrometry could form the basis for a timely warning system capability with greater precision and accuracy than is currently provided by existing analytical technologies.

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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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