Characterization of the Geographical and Varietal Origin of Wheat and Bread by Means of Nuclear Magnetic Resonance (NMR), Isotope Ratio Mass Spectrometry (IRMS) Methods and Chemometrics: A Review
ABSTRACT
In recent years, food authentication, in terms of geographical and varietal/animal origins, is considered of primary importance at all levels of the production process. Therefore, it is clear that there is an economic basis to develop analytical methods able to certify the declared origin of food products, in order to protect consumers and honest producers from fraud and unfair competition, respectively; consequently, during recent years, several food authentication techniques have been proposed. This review attempted to present in a critical way the contribution of High Resolution Nuclear Magnetic Resonance (HR-NMR) and Isotope Ratio Mass Spectrometry (IRMS) techniques in the assessment of quality and authenticity, mainly in terms of characterization of geographical and varietal origin, of wheat and wheat products, focusing on the most important studies to this direction.
In recent years, food authentication, in terms of geographical and varietal/animal origins, is considered of primary importance at all levels of the production process. Therefore, it is clear that there is an economic basis to develop analytical methods able to certify the declared origin of food products, in order to protect consumers and honest producers from fraud and unfair competition, respectively; consequently, during recent years, several food authentication techniques have been proposed. This review attempted to present in a critical way the contribution of High Resolution Nuclear Magnetic Resonance (HR-NMR) and Isotope Ratio Mass Spectrometry (IRMS) techniques in the assessment of quality and authenticity, mainly in terms of characterization of geographical and varietal origin, of wheat and wheat products, focusing on the most important studies to this direction.
Cite this paper
Longobardi, F. , Sacco, D. , Casiello, G. , Ventrella, A. and Sacco, A. (2015) Characterization of the Geographical and Varietal Origin of Wheat and Bread by Means of Nuclear Magnetic Resonance (NMR), Isotope Ratio Mass Spectrometry (IRMS) Methods and Chemometrics: A Review. Agricultural Sciences, 6, 126-136. doi: 10.4236/as.2015.61010.
Longobardi, F. , Sacco, D. , Casiello, G. , Ventrella, A. and Sacco, A. (2015) Characterization of the Geographical and Varietal Origin of Wheat and Bread by Means of Nuclear Magnetic Resonance (NMR), Isotope Ratio Mass Spectrometry (IRMS) Methods and Chemometrics: A Review. Agricultural Sciences, 6, 126-136. doi: 10.4236/as.2015.61010.
References
[1] Armanino, C. andFesta, M.R. (1996) Characterization of Wheat by Four Analytical Parameters. A Chemometric Study. AnalyticaChimicaActa, 331, 43-51.
http://dx.doi.org/10.1016/0003-2670(96)00164-X [2] Longobardi, F., Ventrella, A., Napoli, C., Humpfer, E., Schütz, B., Schafer, H., Kontominas, M.G. and Sacco, A. (2012) Classification of Olive Oils According to Geographical Origin by Using 1H NMR Fingerprinting Combined with Multivariate Analysis. Food Chemistry, 130, 177-183.
http://dx.doi.org/10.1016/0003-2670(96)00164-X [3] Dais, P. andHatzakis, E. (2013) Quality Assessment and Authentication of Virgin Olive Oil by NMR Spectroscopy: A Critical Review.AnalytycaChimicaActa, 765, 1-27.
http://dx.doi.org/10.1016/j.aca.2012.12.003 [4] Longobardi, F., Ventrella, A., Bianco, A., Catucci, L., Cafagna, I., Gallo, V., Mastrorilli, P. andAgostiano, A. (2013) Non-Targeted 1H NMR Fingerprinting And Multivariate Statistical Analyses for the Characterisationof the Geographical Origin of Italian Sweet Cherries. Food Chemistry, 141, 3028-3033. http://dx.doi.org/10.1016/j.foodchem.2013.05.135 [5] Laghi, L., Picone, G. and Capozzi, F. (2014) Nuclear Magnetic Resonance for Foodomicsbeyond Food Analysis. Trends in Analytical Chemistry, 59, 93-102.http://dx.doi.org/10.1016/j.trac.2014.04.009 [6] Jung, Y., Lee, J., Kwon, J., Lee, K.-S., Ryu, D.H. and Hwang, G.-S. (2010) Discrimination of the Geographical Origin of Beef by 1H NMR-Based Metabolomics. Journal of Agricultural and Food Chemistry,59, 10458-10466. http://dx.doi.org/10.1021/jf102194t [7] Renou, J.P., Belton, P.S. and Webb, G.A., Eds. (2011) Magnetic Resonance in Food Science. An Exiting Future. Royal Society of Chemistry Publishing, Cambridge. [8] Shintu, L., Caldarelli, S. andFranke, B.M. (2007) Pre-Selection of Potential Molecular Markers for the Geographic Origin of Dried Beef by HR-MAS NMR Spectroscopy. Meat Science, 76, 700-707.
http://dx.doi.org/10.1016/j.meatsci.2007.02.010 [9] Vermathen, M., Marzorati, M. andVermathen, P. (2012) Exploring High-Resolution Magic Angle Spinning (HR-MAS) NMR Spectroscopy for Metabonomic Analysis of Apples. Chimia, 66, 747-751.
http://dx.doi.org/10.2533/chimia.2012.747 [10] Valentini, M., Ritota, M., Cafiero, C., Cozzolino, S., Leita, L. andSequi, P. (2011) The HRMAS-NMR Tool in Foodstuff Characterisation. Magnetic Resonance in Chemistry, 49, 121-125.
http://dx.doi.org/10.1002/mrc.2826 [11] Smith, B.N. and Epstein, S. (1971) Two Categories of 13C/12C Ratios for Higher Plants. Plant Physiology, 47, 380-384.http://dx.doi.org/10.1104/pp.47.3.380 [12] Bricout, J. (1973) Control of Authenticity of Fruit Juices by Isotopic Analysis. Journal of the Association of Official Analytical Chemists, 56, 739-742. [13] Bréas, O., Reniero, F. and Serrini, G. (1994) Isotope Ratio Mass Spectrometry: Analysis of Wines from Different European Countries. Rapid Communications in Mass Spectrometry, 8, 967-970.
http://dx.doi.org/10.1002/rcm.1290081212 [14] Rossmann, A., Schmidt, H.L., Reniero, F., Versini, G., Moussa, I. and Merle, M.H. (1996) Stable Carbon Isotope Content in Ethanol of EC Data Bank Wines from Italy, France and Germany.ZeitschriftfürLebensmittel-Untersuchung und -Forschung, 203, 293-301.
http://dx.doi.org/10.1007/BF01192881 [15] Martin, G.J., Mazure, M., Jouitteau, C., Martin, Y.L., Aguile, L. and Allain, P. (1999)Characterization of the Geographic Origin of Bordeaux Wines by a Combined Use of Isotopic and Trace Element Measurements. American Journal of Enology and Viticulture, 4, 409-417. [16] Bréas, O., Guillou, C., Reniero, F., Sada, E. and Angerosa, F. (1998) Oxygen-18 Measurement by Continuous Flow Pyrolysis/Isotope Ratio Mass Spectrometry of Vegetable Oils.Rapid Communications in Mass Spectrometry, 12, 188-192.
http://dx.doi.org/10.1002/(SICI)1097-0231(19980227)12:4<188::AID-RCM137>3.0.CO;2-7 [17] Osorio, M.T., Moloney, A.P., Schmidt, O. and Monahan, F.J. (2011) Beef Authentication and Retrospective Dietary Verification Using Stable Isotope Ratio Analysis of Bovine Muscle and Tail Hair. Journal of Agricultural and Food Chemistry, 59, 3295-3305.http://dx.doi.org/10.1021/jf1040959 [18] Longobardi, F., Casiello, G., Sacco, D., Tedone, L. and Sacco, A. (2011) Characterisation of the Geographical Origin of Italian Potatoes, Based on Stable Isotope and Volatile Compound Analyses. Food Chemistry, 124, 1708-1713.
http://dx.doi.org/10.1016/j.foodchem.2010.07.092 [19] Malec-Czechowska, K. and Wierzchnicki, R. (2013) A Study of Stable Isotope Composition of Chosen Foodstuffs from the Polish Market. Nukleonika, 58, 323-327. [20] Longobardi, F., Casiello, G., Ventrella, A., Mazzilli, V., Nardelli, A., Sacco, D., Catucci, L. and Agostiano, A. (2015) Electronic Nose and Isotope Ratio Mass Spectrometry in Combination with Chemometrics for the Characterization of the Geographical Origin of Italian Sweet Cherries. Food Chemistry, 170, 90-96. http://dx.doi.org/10.1016/j.foodchem.2014.08.057 [21] Brescia, M.A., Di Martino, G., Fares, C., Di Fonzo, N., Platani, C., Ghelli, S., Reniero, F. and Sacco, A. (2002) Characterization of Italian Durum Wheat Semolina by Means of Analytical and Spectroscopic Determinations. Cereal Chemistry, 79, 238-242.http://dx.doi.org/10.1094/CCHEM.2002.79.2.238 [22] Brescia, M.A., Di Martino, G., Guillou, C., Reniero, F. and Sacco, A. (2002) Differentiation of the Geographical Origin of Durum Wheat Semolina Samples on the Basis of Isotopic Composition. Rapid Communication in Mass Spectrometry, 16, 2286-2290.http://dx.doi.org/10.1002/rcm.860 [23] Brescia, M.A., Sgaramella, A., Ghelli, S. and Sacco, A. (2003) 1H HR-MAS NMR and Isotopic Investigation of Bread and Flour Samples Produced in Southern Italy. Journal of the Science of Food and Agriculture, 83, 1463-1468. http://dx.doi.org/10.1002/jsfa.1561 [24] Brescia, M.A., Sacco, D., Sgaramella, A., Pasqualone, A., Simeone, R., Peri, G. and Sacco, A. (2007) Characterization of Different Typical Italian Bread by Means of Traditional, Spectroscopic and Image Analyses. Food Chemistry, 104, 429-438. http://dx.doi.org/10.1016/j.foodchem.2006.09.043 [25] Lamanna, R., Cattivelli, L., Miglietta, M.L. and Troccoli, A. (2011) Geographical Origin of Durum Wheat Studied by 1H-NMR Profiling. Magnetic Resonance in Chemistry, 49, 1-5.
http://dx.doi.org/10.1002/mrc.2695 [26] Guyon, I. and Elisseeff, A. (2003) An Introduction to Variable and Feature Selection. Journal of Machine Learning Research, 3, 1157-1182. [27] Marini, F., Magrì, A.L., Balestrieri, F.,Fabretti, F. and Marini, D. (2004) Supervised Pattern Recognition Applied to the Discrimination of the Floral Origin of Six Types of Italian Honey Samples. AnalitycaChimicaActa, 515, 117-125.
http://dx.doi.org/10.1016/j.aca.2004.01.013 [28] Branch, S., Burke, S., Evans, P., Fairman, B. and Wolff Briche, C.S.J. (2003) A Preliminary Study in Determining the Geographical Origin of Wheat Using Isotope Ratio Inductively Coupled Plasma Mass Spectrometry with 13C, 15N Mass Spectrometry. Journal of Analytical Atomic Spectrometry, 18, 17-22.http://dx.doi.org/10.1039/b207055n [29] Gallegos, E., Ostera, H.A., Cagnoni, M.C., Wunderlin, D. and Peral Garcia, P. (2010) Carbon and Nitrogen Isotopes on Wheat from Córdoba Province, Argentina: Implications for Provenance Studies. Proceedings of the VII SSAGI, South American Symposium on Isotope Geology, Brasilia, 25-28 July 2010, 362-365. [30] Podio, N.S., Baroni, M.V., Badini, R.G., Inga, M., Ostera, H.A., Cagnoni, M., Gautier, E.A., Garcia, P.P., Hoogewerff, J. and Wunderlin, D.A. (2013) Elemental and Isotopic Fingerprint of Argentinean Wheat. Matching Soil, Water, and Crop Composition to Differentiate Provenance. Journal of Agricultural and Food Chemistry, 61, 3763-3773. http://dx.doi.org/10.1021/jf305258r [31] Werth, M. and Kuzyakov, Y. (2010) 13C Fractionation at the Root-Microorganisms-Soil Interface: A Review and Outlook for Partitioning Studies. Soil Biology and Biochemistry, 42, 1372-1384.
http://dx.doi.org/10.1016/j.soilbio.2010.04.009
[1] Armanino, C. andFesta, M.R. (1996) Characterization of Wheat by Four Analytical Parameters. A Chemometric Study. AnalyticaChimicaActa, 331, 43-51.
http://dx.doi.org/10.1016/0003-2670(96)00164-X [2] Longobardi, F., Ventrella, A., Napoli, C., Humpfer, E., Schütz, B., Schafer, H., Kontominas, M.G. and Sacco, A. (2012) Classification of Olive Oils According to Geographical Origin by Using 1H NMR Fingerprinting Combined with Multivariate Analysis. Food Chemistry, 130, 177-183.
http://dx.doi.org/10.1016/0003-2670(96)00164-X [3] Dais, P. andHatzakis, E. (2013) Quality Assessment and Authentication of Virgin Olive Oil by NMR Spectroscopy: A Critical Review.AnalytycaChimicaActa, 765, 1-27.
http://dx.doi.org/10.1016/j.aca.2012.12.003 [4] Longobardi, F., Ventrella, A., Bianco, A., Catucci, L., Cafagna, I., Gallo, V., Mastrorilli, P. andAgostiano, A. (2013) Non-Targeted 1H NMR Fingerprinting And Multivariate Statistical Analyses for the Characterisationof the Geographical Origin of Italian Sweet Cherries. Food Chemistry, 141, 3028-3033. http://dx.doi.org/10.1016/j.foodchem.2013.05.135 [5] Laghi, L., Picone, G. and Capozzi, F. (2014) Nuclear Magnetic Resonance for Foodomicsbeyond Food Analysis. Trends in Analytical Chemistry, 59, 93-102.http://dx.doi.org/10.1016/j.trac.2014.04.009 [6] Jung, Y., Lee, J., Kwon, J., Lee, K.-S., Ryu, D.H. and Hwang, G.-S. (2010) Discrimination of the Geographical Origin of Beef by 1H NMR-Based Metabolomics. Journal of Agricultural and Food Chemistry,59, 10458-10466. http://dx.doi.org/10.1021/jf102194t [7] Renou, J.P., Belton, P.S. and Webb, G.A., Eds. (2011) Magnetic Resonance in Food Science. An Exiting Future. Royal Society of Chemistry Publishing, Cambridge. [8] Shintu, L., Caldarelli, S. andFranke, B.M. (2007) Pre-Selection of Potential Molecular Markers for the Geographic Origin of Dried Beef by HR-MAS NMR Spectroscopy. Meat Science, 76, 700-707.
http://dx.doi.org/10.1016/j.meatsci.2007.02.010 [9] Vermathen, M., Marzorati, M. andVermathen, P. (2012) Exploring High-Resolution Magic Angle Spinning (HR-MAS) NMR Spectroscopy for Metabonomic Analysis of Apples. Chimia, 66, 747-751.
http://dx.doi.org/10.2533/chimia.2012.747 [10] Valentini, M., Ritota, M., Cafiero, C., Cozzolino, S., Leita, L. andSequi, P. (2011) The HRMAS-NMR Tool in Foodstuff Characterisation. Magnetic Resonance in Chemistry, 49, 121-125.
http://dx.doi.org/10.1002/mrc.2826 [11] Smith, B.N. and Epstein, S. (1971) Two Categories of 13C/12C Ratios for Higher Plants. Plant Physiology, 47, 380-384.http://dx.doi.org/10.1104/pp.47.3.380 [12] Bricout, J. (1973) Control of Authenticity of Fruit Juices by Isotopic Analysis. Journal of the Association of Official Analytical Chemists, 56, 739-742. [13] Bréas, O., Reniero, F. and Serrini, G. (1994) Isotope Ratio Mass Spectrometry: Analysis of Wines from Different European Countries. Rapid Communications in Mass Spectrometry, 8, 967-970.
http://dx.doi.org/10.1002/rcm.1290081212 [14] Rossmann, A., Schmidt, H.L., Reniero, F., Versini, G., Moussa, I. and Merle, M.H. (1996) Stable Carbon Isotope Content in Ethanol of EC Data Bank Wines from Italy, France and Germany.ZeitschriftfürLebensmittel-Untersuchung und -Forschung, 203, 293-301.
http://dx.doi.org/10.1007/BF01192881 [15] Martin, G.J., Mazure, M., Jouitteau, C., Martin, Y.L., Aguile, L. and Allain, P. (1999)Characterization of the Geographic Origin of Bordeaux Wines by a Combined Use of Isotopic and Trace Element Measurements. American Journal of Enology and Viticulture, 4, 409-417. [16] Bréas, O., Guillou, C., Reniero, F., Sada, E. and Angerosa, F. (1998) Oxygen-18 Measurement by Continuous Flow Pyrolysis/Isotope Ratio Mass Spectrometry of Vegetable Oils.Rapid Communications in Mass Spectrometry, 12, 188-192.
http://dx.doi.org/10.1002/(SICI)1097-0231(19980227)12:4<188::AID-RCM137>3.0.CO;2-7 [17] Osorio, M.T., Moloney, A.P., Schmidt, O. and Monahan, F.J. (2011) Beef Authentication and Retrospective Dietary Verification Using Stable Isotope Ratio Analysis of Bovine Muscle and Tail Hair. Journal of Agricultural and Food Chemistry, 59, 3295-3305.http://dx.doi.org/10.1021/jf1040959 [18] Longobardi, F., Casiello, G., Sacco, D., Tedone, L. and Sacco, A. (2011) Characterisation of the Geographical Origin of Italian Potatoes, Based on Stable Isotope and Volatile Compound Analyses. Food Chemistry, 124, 1708-1713.
http://dx.doi.org/10.1016/j.foodchem.2010.07.092 [19] Malec-Czechowska, K. and Wierzchnicki, R. (2013) A Study of Stable Isotope Composition of Chosen Foodstuffs from the Polish Market. Nukleonika, 58, 323-327. [20] Longobardi, F., Casiello, G., Ventrella, A., Mazzilli, V., Nardelli, A., Sacco, D., Catucci, L. and Agostiano, A. (2015) Electronic Nose and Isotope Ratio Mass Spectrometry in Combination with Chemometrics for the Characterization of the Geographical Origin of Italian Sweet Cherries. Food Chemistry, 170, 90-96. http://dx.doi.org/10.1016/j.foodchem.2014.08.057 [21] Brescia, M.A., Di Martino, G., Fares, C., Di Fonzo, N., Platani, C., Ghelli, S., Reniero, F. and Sacco, A. (2002) Characterization of Italian Durum Wheat Semolina by Means of Analytical and Spectroscopic Determinations. Cereal Chemistry, 79, 238-242.http://dx.doi.org/10.1094/CCHEM.2002.79.2.238 [22] Brescia, M.A., Di Martino, G., Guillou, C., Reniero, F. and Sacco, A. (2002) Differentiation of the Geographical Origin of Durum Wheat Semolina Samples on the Basis of Isotopic Composition. Rapid Communication in Mass Spectrometry, 16, 2286-2290.http://dx.doi.org/10.1002/rcm.860 [23] Brescia, M.A., Sgaramella, A., Ghelli, S. and Sacco, A. (2003) 1H HR-MAS NMR and Isotopic Investigation of Bread and Flour Samples Produced in Southern Italy. Journal of the Science of Food and Agriculture, 83, 1463-1468. http://dx.doi.org/10.1002/jsfa.1561 [24] Brescia, M.A., Sacco, D., Sgaramella, A., Pasqualone, A., Simeone, R., Peri, G. and Sacco, A. (2007) Characterization of Different Typical Italian Bread by Means of Traditional, Spectroscopic and Image Analyses. Food Chemistry, 104, 429-438. http://dx.doi.org/10.1016/j.foodchem.2006.09.043 [25] Lamanna, R., Cattivelli, L., Miglietta, M.L. and Troccoli, A. (2011) Geographical Origin of Durum Wheat Studied by 1H-NMR Profiling. Magnetic Resonance in Chemistry, 49, 1-5.
http://dx.doi.org/10.1002/mrc.2695 [26] Guyon, I. and Elisseeff, A. (2003) An Introduction to Variable and Feature Selection. Journal of Machine Learning Research, 3, 1157-1182. [27] Marini, F., Magrì, A.L., Balestrieri, F.,Fabretti, F. and Marini, D. (2004) Supervised Pattern Recognition Applied to the Discrimination of the Floral Origin of Six Types of Italian Honey Samples. AnalitycaChimicaActa, 515, 117-125.
http://dx.doi.org/10.1016/j.aca.2004.01.013 [28] Branch, S., Burke, S., Evans, P., Fairman, B. and Wolff Briche, C.S.J. (2003) A Preliminary Study in Determining the Geographical Origin of Wheat Using Isotope Ratio Inductively Coupled Plasma Mass Spectrometry with 13C, 15N Mass Spectrometry. Journal of Analytical Atomic Spectrometry, 18, 17-22.http://dx.doi.org/10.1039/b207055n [29] Gallegos, E., Ostera, H.A., Cagnoni, M.C., Wunderlin, D. and Peral Garcia, P. (2010) Carbon and Nitrogen Isotopes on Wheat from Córdoba Province, Argentina: Implications for Provenance Studies. Proceedings of the VII SSAGI, South American Symposium on Isotope Geology, Brasilia, 25-28 July 2010, 362-365. [30] Podio, N.S., Baroni, M.V., Badini, R.G., Inga, M., Ostera, H.A., Cagnoni, M., Gautier, E.A., Garcia, P.P., Hoogewerff, J. and Wunderlin, D.A. (2013) Elemental and Isotopic Fingerprint of Argentinean Wheat. Matching Soil, Water, and Crop Composition to Differentiate Provenance. Journal of Agricultural and Food Chemistry, 61, 3763-3773. http://dx.doi.org/10.1021/jf305258r [31] Werth, M. and Kuzyakov, Y. (2010) 13C Fractionation at the Root-Microorganisms-Soil Interface: A Review and Outlook for Partitioning Studies. Soil Biology and Biochemistry, 42, 1372-1384.
http://dx.doi.org/10.1016/j.soilbio.2010.04.009