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Scientific Articles - PTR-MS Bibliography

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[LeQuere2009] Le Quéré, J-L., I. Déléris, E. Sémon, A. Saint-Eve, and I. Souchon, "Aroma Release with Atmospheric Pressure Chemical Ionization (APCI-) and Proton Transfer Reaction (PTR-) Mass Spectrometry: Competition and Quantitative Aspects", CONFERENCE SERIES, pp. 252, 2009.
[1590] Déléris, I., A. Saint-Eve, E. Sémon, H. Guillemin, E. Guichard, I. Souchon, and J-L. { Le Quéré}, "Comparison of direct mass spectrometry methods for the on-line analysis of volatile compounds in foods.", J Mass Spectrom, vol. 48, pp. 594–607, May, 2013.
<p>For the on-line monitoring of flavour compound release, atmospheric pressure chemical ionization (APCI) and proton transfer reaction (PTR) combined to mass spectrometry (MS) are the most often used ionization technologies. APCI-MS was questioned for the quantification of volatiles in complex mixtures, but direct comparisons of APCI and PTR techniques applied on the same samples remain scarce. The aim of this work was to compare the potentialities of both techniques for the study of in vitro and in vivo flavour release. Aroma release from flavoured aqueous solutions (in vitro measurements in Teflon bags and glass vials) or flavoured candies (in vivo measurements on six panellists) was studied using APCI- and PTR-MS. Very similar results were obtained with both techniques. Their sensitivities, expressed as limit of detection of 2,5-dimethylpyrazine, were found equivalent at 12&thinsp;ng/l air. Analyses of Teflon bag headspace revealed a poor repeatability and important ionization competitions with both APCI- and PTR-MS, particularly between an ester and a secondary alcohol. These phenomena were attributed to dependency on moisture content, gas/liquid volume ratio, proton affinities and product ion distribution, together with inherent drawbacks of Teflon bags (adsorption, condensation of water and polar molecules). Concerning the analyses of vial headspace and in vivo analyses, similar results were obtained with both techniques, revealing no competition phenomena. This study highlighted the equivalent performances of APCI-MS and PTR-MS for in vitro and in vivo flavour release investigations and provided useful data on the problematic use of sample bags for headspace analyses.</p>
[Deleris2011a] Déléris, I., A. Saint-Eve, F. Dakowski, E. Sémon, J-L. Le Quéré, H. Guillemin, and I. Souchon, "The dynamics of aroma release during consumption of candies of different structures, and relationship with temporal perception", Food Chemistry, vol. 127, no. 4: Elsevier, pp. 1615–1624, 2011.
We investigated the role of both candy texture and eating technique (melting or chewing) on the dynamics of aroma release. One novelty of this type of analysis was the simultaneous application of instrumental and sensory analysis. Four candy textures were established based on their storage modulus at 1 Hz by varying the gelatine content between 0 and 15% w/w. The invivo release of three aroma compounds was monitored using Proton Transfer Reaction Mass Spectrometry and with a trained panel of testers. The gelatine content had no significant effect on the headspace/product partition and diffusion properties of the aroma compounds. The highest invivo release for all aroma compounds was obtained with the 2% gelatine sample. Our findings indicated that aroma release was determined by interaction between the product properties and oral behaviour. Relations between the dynamics of release and perception (method of Temporal Dominance of Sensations) have been established on temporal parameters.
[1592] Mesurolle, J., A. Saint-Eve, I. Déléris, and I. Souchon, "Impact of fruit piece structure in yogurts on the dynamics of aroma release and sensory perception.", Molecules, vol. 18, pp. 6035–6056, 2013.
<p>The aim of this work was to gain insight into the effect of food formulation on aroma release and perception, both of which playing an important role in food appreciation. The quality and quantity of retronasal aroma released during food consumption affect the exposure time of olfactory receptors to aroma stimuli, which can influence nutritional and hedonic characteristics, as well as consumption behaviors. In yogurts, fruit preparation formulation can be a key factor to modulate aroma stimulation. In this context, the impact of size and hardness of fruit pieces in fat-free pear yogurts was studied. Proton Transfer Reaction-Mass Spectrometry (PTR-MS) was used to allow sensitive and on-line monitoring of volatile odorous compound release in the breath during consumption. In parallel, a trained panel used sensory profile and Temporal Dominance of Sensations (TDS) methods to characterize yogurt sensory properties and their dynamic changes during consumption. Results showed that the size of pear pieces had few effects on aroma release and perception of yogurts, whereas fruit hardness significantly influenced them. Despite the fact that yogurts presented short and similar residence times in the mouth, this study showed that fruit preparation could be an interesting formulation factor to enhance exposure time to stimuli and thus modify food consumption behaviors. These results could be taken into account to formulate new products that integrate both nutritional and sensory criteria.</p>
[Deleris2011] Déléris, I., A. Saint-Eve, Y. Guo, P. Lieben, M-L. Cypriani, N. Jacquet, P. Brunerie, and I. Souchon, "Impact of swallowing on the dynamics of aroma release and perception during the consumption of alcoholic beverages", Chemical senses, vol. 36, no. 8: Oxford Univ Press, pp. 701–713, 2011.
The consumption protocol used during alcoholic beverage tasting may affect aroma perception. We used an integrated approach combining sensory analysis and physicochemistry to investigate the impact of swallowing on aroma release and perception. A panel of 10 persons evaluated the dynamics of aroma perception during the consumption of a commercial flavored vodka, using the method of temporal dominance of sensations. Two protocols (spitting out or swallowing of the product) were tested. Nosespace analysis was simultaneously carried out by proton transfer reaction mass spectrometry to evaluate aroma release in the nasal cavity. Comparison of the results obtained with the 2 protocols highlighted significant differences in both the perception and the release of aroma: the swallowing of the product resulted in more complex perceptions but decreased the dominance rates of aromatic attributes. Ethanol perception also had an impact when the product was swallowed. Aroma release data partly accounted for the differences in perception, particularly as concerned ethanol release. The time at which dominance appears as well as the dominance duration of some attributes can be related to some temporal parameters of release data. But the lack of knowledge concerning the variety and complexity of mechanisms continues to limit our understanding of relationship between aroma release and perception.
[Deleris2013] Déléris, I., M. Kauffmann, A. Saint-Eve, G. Féron, and I. Souchon, "Improvement in the understanding of aroma compound retention and release in naso-oro-pharyngeal cavity", CONFERENCE SERIES, pp. 156, 2013.
[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.
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.

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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).

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.

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.


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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