[Mestres2005] "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.
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] "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. email@example.com, pp. 5104–5118, Jun, 2005.
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] "Caterpillars of Euphydryas aurinia (Lepidoptera: Nymphalidae) feeding on Succisa pratensis leaves induce large foliar emissions of methanol.",
, vol. 167, no. 3: Unitat Ecofisiologia CSIC-CREAF CREAF, Edifici C, Universitat AutÃ³noma de Barcelona, E-08193 Bellaterra, Barcelona, Spain. firstname.lastname@example.org, pp. 851–857, Sep, 2005.
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] "Characterization of urban pollutant emission fluxes and ambient concentration distributions using a mobile laboratory with rapid response instrumentation",
, vol. 130: Royal Society of Chemistry, pp. 327–339, 2005.
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] "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.
[Warneke2005a] "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.
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] "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.
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] "Global budget of methanol: Constraints from atmospheric observations",
Journal of Geophysical Research: Atmospheres (1984–2012)
, vol. 110, no. D8: Wiley Online Library, 2005.
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] "The interacting effects of elevated atmospheric CO2 concentration, drought and leaf-to-air vapour pressure deficit on ecosystem isoprene fluxes.",
, vol. 146, no. 1, pp. 120–129, Nov, 2005.
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] "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. email@example.com, pp. 295–300, Feb, 2005.
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] "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.