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Scientific Articles - PTR-MS Bibliography

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[Biasioli2006] Biasioli, F., F. Gasperi, E. Aprea, I. Endrizzi, V. Framondino, F. Marini, D. Mott, and T. D. Maerk, "Correlation of PTR-MS spectral fingerprints with sensory characterisation of flavour and odour profile of "Trentingrana" cheese", Food quality and preference, vol. 17, no. 1: Elsevier, pp. 63–75, 2006.
Proton transfer reaction-mass spectrometry (PTR-MS) is a relatively new technique that allows the fast and accurate detection of volatile organic compounds. The paper discusses the possibility of correlating the PTR-MS spectral fingerprint of the mixture of volatile compounds present in the head-space of 20 samples of “Trentingrana”, the variety of Grana Padano produced in Trentino (Northern Italy), with the sensory evaluation (Quantitative Descriptive Analysis) of the same samples obtained by a panel of trained judges. Only attributes related to odours (six attributes) and flavours (six attributes) are considered. Results of descriptive statistics are shown and the performances of different multivariate calibration methods (Partial Least Squares, both PLS1 and PLS2) are compared by evaluating the errors in the cross-validated estimation of the sensory attributes. PLS2 seems to give a good average description providing an overall insight of the problem but does not provide an accurate prediction of the individual sensory attributes. PLS1 analysis is more accurate and performs well in most cases but it uses several latent variables, so that the interpretation of the loadings is not straightforward. The preliminary application of Orthogonal Signal Correction filtering on PTR-MS spectra followed by PLS1 analysis results in a good estimation for most of the attributes and has the advantage to use only one or two latent variables. Comparison with other works and a tentative indication of the compounds correlated with sensory description are reported.
[Gasperi2009] Gasperi, F., E. Aprea, F. Biasioli, S. Carlin, I. Endrizzi, G. Pirretti, and S. Spilimbergo, "Effects of supercritical CO< sub> 2 and N< sub> 2 O pasteurisation on the quality of fresh apple juice", Food chemistry, vol. 115, no. 1: Elsevier, pp. 129–136, 2009.
Supercritical pasteurisation is receiving increasing attention as an alternative technology for foodstuff pasteurisation, but often the possible effects on the perceptible quality are not sufficiently considered. To address this latter issue, besides standard microbial analysis, we here investigate the impact of CO2/N2O supercritical pasteurisation (100 bar, 36 °C and 10 min treatment time) on the quality traits of fresh apple juice, linked to consumer perception. Discriminative sensory analysis (triangle test) and basic chemical characterization (total solids, sugars, organic acids, polyphenols) could not clearly demonstrate any induced modification of the treated juice, while head space analysis of volatile compounds (both by GC–MS and PTR–MS) indicated a general depletion of the volatile compounds that must be considered in the development of a stabilization method based on supercritical gases.
[Aprea2009a] Aprea, E., F. Biasioli, S. Carlin, I. Endrizzi, and F. Gasperi, "Investigation of volatile compounds in two raspberry cultivars by two headspace techniques: solid-phase microextraction/gas chromatography-mass spectrometry (SPME/GC-MS) and proton-transfer reaction-mass spectrometry (PTR-MS).", J Agric Food Chem, vol. 57, no. 10: IASMA Research and Innovation Centre, Fondazione Edmund Mach, Food Quality and Nutrition Area, Via E Mach 1, S Michele all'Adige, TN 38010, Italy., pp. 4011–4018, May, 2009.
The volatile compounds emitted by two raspberry varieties ( Rubus idaeus , cv. Polka and Tulameen) were analyzed, in both the case of fresh fruits and juices, by two headspace methods that are rapid, solvent-free, and with reduced or no sample pretreatment: solid-phase microextraction/gas chromatography-mass spectrometry (SPME/GC-MS) and proton-transfer reaction-mass spectrometry (PTR-MS). Multivariate analysis of the SPME/GC-MS results allows for an unambiguous sample discrimination for both mashed fruits and juices. PTR-MS instrumental fingerprint provides, in a faster way, similar qualitative information on the overall flavor profile. The two cultivars show both qualitative and quantitative differences. SPME/GC-MS analysis shows that alcohols and aldehydes are more abundant in the headspace of Tulameen as, e.g., hexanal and hexanol that induce herbaceous odor notes. This observation has been confirmed by sensory analysis. PTR-MS was also used to monitor rapid processes that modify the original aromatic profile, such as lipo-oxigenase activity induced by tissue damages occurring during industrial transformation, accidental mechanical damages, or as a consequence of chewing.
[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.
[Fabris2010] Fabris, A., F. Biasioli, P. M. Granitto, E. Aprea, L. Cappellin, E. Schuhfried, C. Soukoulis, T. D. Maerk, F. Gasperi, and I. Endrizzi, "PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese.", J Mass Spectrom, vol. 45, no. 9: IASMA Research and Innovation Centre, Fondazione Edmund Mach, Food Quality and Nutrition Area, Via E. Mach, 1, 38010, S. Michele a/A, Italy., pp. 1065–1074, Sep, 2010.
Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS). Here we discuss the very first application of this new instrument to agro-industrial problems and dairy science in particular. As a case study, we show here that the rapid PTR-TOF-MS fingerprinting coupled with data-mining methods can quickly verify whether the storage condition of the milk affects the final quality of cheese and we provide relevant examples of better compound identification in comparison with the previous PTR-MS implementations. In particular, 'Trentingrana' cheese produced by four different procedures for milk storage are compared both in the case of winter and summer production. It is indeed possible to set classification models with low prediction errors and to identify the chemical formula of the ion peaks used for classification, providing evidence of the role that this novel spectrometric technique can play for fundamental and applied agro-industrial themes.

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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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