Rapid and non-destructive identification of strawberry cultivars by direct PTR-MS headspace analysis and data mining techniques

Sensors and Actuators, B: Chemical

Volumn 121, Issue 2, 2007, Pages 379-385

  Granitto, Pablo M ^a   Biasioli, Franco ^a   Aprea, Eugenio ^a,b   Mott, Daniela ^a   Furlanello, Cesare ^c   Märk, Tilmann D ^b   Gasperi, Flavia ^a  

^a RESEARCH AND INNOVATION CENTRE   (Italy)

^b UNIVERSITY OF INNSBRUCK   (Austria)

^c ITC IRST   (Italy)

Author keywords

Data mining; Discriminant partial least squares; Penalized discriminant analysis; Proton transfer reaction mass spectrometry; Random forest; Volatile organic compounds

Indexed keywords

DATA MINING; FEATURE EXTRACTION; FRUITS; HARVESTERS; MASS SPECTROMETRY; PROJECTION SYSTEMS; PROTONS;

DISCRIMINANT PARTIAL LEAST SQUARES; PENALIZED DISCRIMINANT ANALYSIS; PROTON TRANSFER REACTION MASS SPECTROMETRY (PTRMS); RANDOM FOREST;

VOLATILE ORGANIC COMPOUNDS;

FRUITS; HARVESTERS; PROTONS; VOC;

EID: 33846833726     PISSN: 09254005     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.snb.2006.03.047     Document Type: Article

References (33)

1. Dorfner R., Ferge T., Yeretzian C., Kettrup A., and Zimmermann R. Laser mass spectrometry as on-line sensor for industrial process analysis: process control of coffee roasting. Anal. Chem. 76 (2004) 1386-1402
2. Dunlop P.J., Bignell C.M., Brynn Hibbert D., and Brooker M.I.H. Use of gas chromatograms of the essential leaf oils of the genus eucalyptus for taxonomic purposes: E. subser. Euglobulares (Blakely). Flavour Frag. J. 18 (2003) 162-169
3. Williams A., Ryan D., Olarte Guasca A., Marriott P., and Pang E. Analysis of strawberry volatiles using comprehensive two-dimensional gas chromatography with headspace solid-phase microextraction. J. Chromatogr. B 817 (2005) 97-107
4. Zabetakis I., and Holden M.A. Strawberry flavour: analysis and biosynthesis. J. Sci. Food. Agric. 74 (1997) 421-434
5. Hakala M.A., Lapveteläinen A.T., and Kallio H.P. Volatile compounds of selected strawberry varieties analyzed by purge-and-trap headspace GC-MS. J. Agric. Food Chem. 50 (2002) 1133-1142
6. Wang S.Y., Zheng W., and Galletta G.J. Cultural system affects fruit quality and antioxidant capacity in strawberries. J. Agric. Food Chem. 50 (2002) 6534-6542
7. 2. Postharvest Biol. Technol. 27 (2003) 171-183
8. Bood K.G., and Zabetakis I. The biosynthesis of strawberry flavor (II): biosynthetic and molecular biology studies. J. Food. Sci. 67 (2002) 2-8
9. Schmidt E.N., Orsnes H., Graf T., Christensen T., and Degn H. Monitoring organic compounds in aqueous solution by rotating ball inlet mass spectrometry with continuous wave infrared laser desorption. Sens. Actuators B 76 (2001) 411-418
10. Pérès C., Begnaud F., and Berdagué J. Fast characterization of Camembert cheeses by static headspace-mass spectrometry. Sens. Actuators B 87 (2002) 491-497
11. Vinaixa M., Vergara A., Duran C., Llobet E., Badia C., Brezmes J., Vilanova X., and Correig X. Fast detection of rancidity in potato crisps using e-noses based on mass spectrometry or gas sensors. Sens. Actuators B 106 (2005) 67-75
12. Lindinger W., Hansel A., and Jordan A. On-line monitoring of volatile organic compounds at pptv levels by means of proton-transfer-reaction mass spectrometry (PTR-MS). Medical applications, food control and environmental research. Int. J. Mass Spectrom. Ion Processes 173 (1998) 191-241
13. Biasioli F., Gasperi F., Aprea E., Colato L., Boscaini E., and Märk T.D. Fingerprinting mass spectrometry by PTR-MS: heat treatment vs. pressure treatment of red orange juice-a case study. Int. J. Mass Spectrom. 223-224 (2003) 343-353
14. Biasioli F., Gasperi F., Aprea E., Mott D., Boscaini E., Mayr D., and Märk T.D. Coupling proton transfer reaction-mass spectrometry with linear discriminant analysis: a case study. J. Agric. Food Chem. 51 (2003) 7227-7233
15. Wolpert D.H. The lack of a priori distinctions between learning algorithms. Neural Comput. 8 (1996) 1341-1390. http://www.no-free-lunch.org/ see also
16. Granitto P.M., Gasperi F., Biasioli F., and Furlanello C. Modelling sensory analysis datasets: the case of Italian cheeses. Proceedings of Argentine Symposium on Artificial Intelligence. 29-30 August 2005, Rosario, Argentina (2005)
17. Lindinger W., Hansel A., and Jordan A. Proton-transfer-reaction mass spectrometry (PTR-MS): on-line monitoring of volatile organic compounds at pptv levels. Chem. Soc. Rev. 27 (1998) 347-354
18. Hastie T., Tibshirani R., and Friedman J.H. The Elements of Statistical Learning (2001), Springer-Verlag, New York
19. R Development Core Team. R: A Language and Environment for Statistical Computing. R Foundation for Statistical Computing, Vienna, Austria, 2005. ISBN 3-900051-07-0, http://www.R-project.org.
20. Ambroise C., and McLachlan G.J. Selection bias in gene extraction in tumour classification on basis of microarray gene expression data. Proc. Natl. Acad. Sci. USA 99 (2002) 6562-6566
21. Geman S., Bienenstock E., and Doursat R. Neural Networks and the bias/variance dilemma. Neural Comput. 4 (1992) 1-58
22. Granitto P.M., Verdes P.F., and Ceccatto H.A. Neural network ensembles: evaluation of aggregation algorithms. Artif. Intell. 163 (2005) 139-162
23. Dietterich T.G. An experimental comparison of three methods for constructing ensembles of decision trees: bagging, boosting, and randomization. Mach. Learn. 40 (2000) 139-158
24. Breiman L. Random forests. Mach. Learn. 45 (2001) 5-32
25. Efron B., and Tibshirani R.J. An Introduction to the Bootstrap (1983), Chapman & Hall, New York
26. Ripley B.D. Pattern Recognition and Neural Networks (1996), Cambridge University Press, Cambridge
27. In: Michie D., Spiegelhalter D., and Taylor C. (Eds). Machine Learning, Neural and Statistical Classification (1994), Ellis Horwood
28. Hastie T., Buja A., and Tibshirani R. Penalized discriminant analysis. Ann. Stat. 23 (1995) 73-102
29. Wold S., Sjöström M., and Eriksson L. PLS-regression: a basic tool of chemometrics. Chemometr. Intell. Lab. 58 (2001) 109-130
30. Vapnik V. The Nature of Statistical Learning Theory (1999), Springer, New York
31. Gasperi F., Gallerani G., Boschetti A., Biasioli F., Monetti A., Boscaini E., Jordan A., Lindinger W., and Iannotta S. The mozzarella cheese flavour profile: a comparison between judge panel analysis and proton transfer reaction mass spectrometry. J. Sci. Food. Agric. 81 (2000) 357-363
32. Biasioli F., Gasperi F., Aprea E., Endrizzi I., Framondino V., Marini F., Mott D., and Märk T.D. Correlation of PTR-MS spectral fingerprints with sensory characterisation of flavour and odour profile of Trentingrana cheese. Food Qual. Prefer. 17 (2006) 63-75
33. Zini E., Biasioli F., Gasperi F., Mott D., Aprea E., Märk T.D., Patocchi A., Gessler C., and Komjanc M. QTL mapping of volatile compounds in ripe apples detected by proton transfer reaction-mass spectrometry. Euphytica 145 (2005) 271-281