On data analysis in PTR-TOF-MS: From raw spectra to data mining

Cappellin, Luca; Biasioli, Franco; Granitto, Pablo M.; Schuhfried, Erna; Soukoulis, Christos; Costa, Fabrizio; Märk, T.D.; Gasperi, F.

doi:10.1016/j.snb.2010.11.044

Cited by 154 publications

(137 citation statements)

References 30 publications

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“…Calibration was performed by dynamically diluting the VOC standards to ppbv levels using purified ambient air. Details about the data evaluation can be found in Müller et al (2010), Kaser et al (2013), and Cappellin et al (2011).…”

Section: Instrumentationmentioning

confidence: 99%

Observations of gas- and aerosol-phase organic nitrates at BEACHON-RoMBAS 2011

et al. 2013

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At the Rocky Mountain Biogenic Aerosol Study (BEACHON-RoMBAS) field campaign in the Colorado front range, July–August 2011, measurements of gas- and aerosol-phase organic nitrates enabled a study of the role of NO_x (NO_x = NO + NO₂) in oxidation of forest-emitted volatile organic compounds (VOCs) and subsequent aerosol formation. Substantial formation of peroxy- and alkyl-nitrates is observed every morning, with an apparent 2.9% yield of alkyl nitrates from daytime RO₂ + NO reactions. Aerosol-phase organic nitrates, however, peak in concentration during the night, with concentrations up to 140 ppt as measured by both optical spectroscopic and mass spectrometric instruments. The diurnal cycle in aerosol fraction of organic nitrates shows an equilibrium-like response to the diurnal temperature cycle, suggesting some reversible absorptive partitioning, but the full dynamic range cannot be reproduced by thermodynamic repartitioning alone. Nighttime aerosol organic nitrate is observed to be positively correlated with [NO₂] × [O₃] but not with [O₃]. These observations support the role of nighttime NO₃-initiated oxidation of monoterpenes as a significant source of nighttime aerosol. Nighttime production of organic nitrates is comparable in magnitude to daytime photochemical production at this site, which we postulate to be representative of the Colorado front range forests

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Section: Instrumentationmentioning

confidence: 99%

Observations of gas- and aerosol-phase organic nitrates at BEACHON-RoMBAS 2011

et al. 2013

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“…S1 in Supplementary material). Dead time correction and peak extraction were performed according to a procedure described elsewhere using a modified Gaussian peak shape (Cappellin et al 2011). Subsequently, the peaks associated with the PTR-MS ion source including m/z = 32 (O2 + ) and m/z = 37 (water cluster ion) were eliminated.…”

Section: Ptr-tof-ms Data Analysismentioning

confidence: 99%

Characterization of VOC emission profile of different wood species during moisture cycles

Sassoli¹,

Taiti²,

Nissim³

et al. 2017

iForest

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This study addresses the characterization of volatile organic compounds (VOCs) emitted by samples of 13 different wood species, belonging to both softwoods and hardwoods groups, regularly measured at different intervals of time, after the first measurement on green wood. The same wood specimens were subjected to several cycles of water desorption and adsorption, assuming that moisture variation might play a role in both the formation and emission of VOCs. Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-TOF-MS) was used as a tool to characterize the emission of VOCs. Coupled with a multivariate class-modelling approach, this tool was able to discriminate between groups (softwood and hardwood) and in some cases between different species. However, results showed that the discriminant capacity of VOCs emission to separate species and families rapidly decreases after the first cycles of moisture variation in wood. The green wood was characterized by a richness of volatile compounds, whereas, after only the first dry cycle, wood emitted a more restricted group of compounds. We hypothesized that most of these VOCs might have originated from structural changes and degradation processes that involve the main polymers (particularly hemicellulose) constituting the cell wall of wooden cells. The results obtained are in agreement with the physical and chemical modification processes that characterize wood ageing.

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“…This technique uses H 3 O + reagent ions and can have time resolution of 1 Hz or better. The recent development of PTR-MS instruments that use high-resolution time-of-flight mass spectrometers (PTR-ToF-MSs) has greatly expanded the number of measurable species, enhanced the technique's suitability to mobile platforms, and improved our ability to speciate specific ion masses (Jordan et al, 2009;Graus et al, 2010;Cappellin et al, 2011;Yuan et al, 2016a). For example, the resulting complex PTR-ToF-MS mass spectra in forested environments (Kim et al, 2010) and biomass burning (Brilli et al, 2014;Stockwell et al, 2015) have been reported.…”

mentioning

confidence: 99%