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Volumn 833, Issue , 2014, Pages 29-39

Synergistic effect of the simultaneous chemometric analysis of 1H NMR spectroscopic and stable isotope (SNIF-NMR, 18O, 13C) data: Application to wine analysis

Author keywords

Chemometrics; Data fusion; German wine; Nuclear magnetic resonance; Stable isotope analysis; Wine authentication

Indexed keywords

DATA FUSION; DISCRIMINANT ANALYSIS; FOOD PRODUCTS; FORECASTING; INDEPENDENT COMPONENT ANALYSIS; ISOTOPES; LEAST SQUARES APPROXIMATIONS; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE;

EID: 84901757975     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2014.05.005     Document Type: Article
Times cited : (83)

References (63)
  • 2
    • 79951888228 scopus 로고    scopus 로고
    • Characterization of crude oil products using data fusion of process raman, infrared, and nuclear magnetic resonance (NMR) spectra
    • Dearing T.I., Thompson W.J., Rechsteiner C.E., Marquardt B.J. Characterization of crude oil products using data fusion of process raman, infrared, and nuclear magnetic resonance (NMR) spectra. Appl. Spectrosc. 2011, 65:181-186.
    • (2011) Appl. Spectrosc. , vol.65 , pp. 181-186
    • Dearing, T.I.1    Thompson, W.J.2    Rechsteiner, C.E.3    Marquardt, B.J.4
  • 3
    • 84878268081 scopus 로고    scopus 로고
    • Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection
    • Xu Y., Correa E., Goodacre R. Integrating multiple analytical platforms and chemometrics for comprehensive metabolic profiling: application to meat spoilage detection. Anal. Bioanal. Chem. 2013, 405:5063-5074.
    • (2013) Anal. Bioanal. Chem. , vol.405 , pp. 5063-5074
    • Xu, Y.1    Correa, E.2    Goodacre, R.3
  • 4
    • 33749258521 scopus 로고    scopus 로고
    • Chemometrics modelling of organic contaminants in fish and sediment river samples
    • Pere-Trepat E., Tauler R. Chemometrics modelling of organic contaminants in fish and sediment river samples. J. Chromatogr. A 2006, 1131:85-96.
    • (2006) J. Chromatogr. A , vol.1131 , pp. 85-96
    • Pere-Trepat, E.1    Tauler, R.2
  • 5
    • 82555168236 scopus 로고    scopus 로고
    • Chromatographic and spectroscopic data fusion analysis for interpretation of photodegradation processes
    • Mas S., Tauler R., de Juan A. Chromatographic and spectroscopic data fusion analysis for interpretation of photodegradation processes. J. Chromatogr. A 2011, 1218:9260-9268.
    • (2011) J. Chromatogr. A , vol.1218 , pp. 9260-9268
    • Mas, S.1    Tauler, R.2    de Juan, A.3
  • 6
    • 81355148478 scopus 로고    scopus 로고
    • Discrimination and sensory description of beers through data fusion
    • Vera L., Acena L., Guasch J., Boque R., Mestres M., Busto O. Discrimination and sensory description of beers through data fusion. Talanta 2011, 87:136-142.
    • (2011) Talanta , vol.87 , pp. 136-142
    • Vera, L.1    Acena, L.2    Guasch, J.3    Boque, R.4    Mestres, M.5    Busto, O.6
  • 8
    • 84862003752 scopus 로고    scopus 로고
    • Interpretation and visualization of non-linear data fusion in kernel space: study on metabolomic characterization of progression of multiple sclerosis
    • Smolinska A., Blanchet L., Coulier L., Ampt K.A.M., Luider T., Hintzen R.Q., Wijmenga S.S., Buydens L.M.C. Interpretation and visualization of non-linear data fusion in kernel space: study on metabolomic characterization of progression of multiple sclerosis. PLoS One 2012, 7:e38163.
    • (2012) PLoS One , vol.7
    • Smolinska, A.1    Blanchet, L.2    Coulier, L.3    Ampt, K.A.M.4    Luider, T.5    Hintzen, R.Q.6    Wijmenga, S.S.7    Buydens, L.M.C.8
  • 9
    • 79954420953 scopus 로고    scopus 로고
    • 1H NMR and UV-visible data fusion for determining Sudan dyes in culinary spices
    • 1H NMR and UV-visible data fusion for determining Sudan dyes in culinary spices. Talanta 2011, 84:829-833.
    • (2011) Talanta , vol.84 , pp. 829-833
    • Di Anibal, C.V.1    Callao, M.P.2    Ruisanchez, I.3
  • 10
    • 0035872352 scopus 로고    scopus 로고
    • Chemical image fusion: the synergy of FT-NIR and Raman mapping microscopy to enable a more complete visualization of pharmaceutical formulations
    • Clarke F.C., Jamieson M.J., Clark D.A., Hammond S.V., Jee R.D., Moffat A.C. Chemical image fusion: the synergy of FT-NIR and Raman mapping microscopy to enable a more complete visualization of pharmaceutical formulations. Anal. Chem. 2001, 73:2213-2220.
    • (2001) Anal. Chem. , vol.73 , pp. 2213-2220
    • Clarke, F.C.1    Jamieson, M.J.2    Clark, D.A.3    Hammond, S.V.4    Jee, R.D.5    Moffat, A.C.6
  • 11
    • 84870520974 scopus 로고    scopus 로고
    • Discriminant analysis of red wines from different aging ways by information fusion of NIR and MIR spectra
    • Tao S.J., Li J.M., Li J.H., Tang J.B., Mi J.R., Zhao L.L. Discriminant analysis of red wines from different aging ways by information fusion of NIR and MIR spectra. IFIP Adv. Inform. Commun. Technol. 2012, 369:478-483.
    • (2012) IFIP Adv. Inform. Commun. Technol. , vol.369 , pp. 478-483
    • Tao, S.J.1    Li, J.M.2    Li, J.H.3    Tang, J.B.4    Mi, J.R.5    Zhao, L.L.6
  • 12
    • 84874994171 scopus 로고    scopus 로고
    • A consensus orthogonal partial least squares discriminant analysis (OPLS-DA) strategy for multiblock Omics data fusion
    • Boccard J., Rutledge D.N. A consensus orthogonal partial least squares discriminant analysis (OPLS-DA) strategy for multiblock Omics data fusion. Anal. Chim. Acta 2013, 769:30-39.
    • (2013) Anal. Chim. Acta , vol.769 , pp. 30-39
    • Boccard, J.1    Rutledge, D.N.2
  • 13
    • 84856611901 scopus 로고    scopus 로고
    • NMR-based metabolomics in wine science
    • Hong Y.S. NMR-based metabolomics in wine science. Magn. Res. Chem. 2011, 49:S13-S21.
    • (2011) Magn. Res. Chem. , vol.49
    • Hong, Y.S.1
  • 14
    • 84879005069 scopus 로고    scopus 로고
    • 1H NMR spectroscopy combined with multivariate statistical analysis. Differentiation of important parameters: grape variety, geographical origin, year of vintage
    • 1H NMR spectroscopy combined with multivariate statistical analysis. Differentiation of important parameters: grape variety, geographical origin, year of vintage. J. Agric. Food Chem. 2013, 61:5610-5619.
    • (2013) J. Agric. Food Chem. , vol.61 , pp. 5610-5619
    • Godelmann, R.1    Fang, F.2    Humpfer, E.3    Schütz, B.4    Bansbach, M.5    Schäfer, H.6    Spraul, M.7
  • 16
    • 79958765359 scopus 로고    scopus 로고
    • Metabolic characterization of Palatinate German white wines according to sensory attributes, varieties, and vintages using NMR spectroscopy and multivariate data analyses
    • Ali K., Maltese F., Toepfer R., Choi Y.H., Verpoorte R. Metabolic characterization of Palatinate German white wines according to sensory attributes, varieties, and vintages using NMR spectroscopy and multivariate data analyses. J. Biomol. NMR 2011, 49:255-266.
    • (2011) J. Biomol. NMR , vol.49 , pp. 255-266
    • Ali, K.1    Maltese, F.2    Toepfer, R.3    Choi, Y.H.4    Verpoorte, R.5
  • 17
    • 84861168751 scopus 로고    scopus 로고
    • NMR- based metabolic profiling of rice wines by F2-selective TOCSY spectra
    • Koda M., Furihata K., Wei F., Miyakawa T., Tanokura M. NMR- based metabolic profiling of rice wines by F2-selective TOCSY spectra. J. Agric. Food Chem. 2012, 60:4818-4825.
    • (2012) J. Agric. Food Chem. , vol.60 , pp. 4818-4825
    • Koda, M.1    Furihata, K.2    Wei, F.3    Miyakawa, T.4    Tanokura, M.5
  • 18
    • 0000359896 scopus 로고
    • Food quality control and studies on human nutrition by mass spectrometric and nuclear magnetic resonance isotope ratio determination
    • Schmidt H.-L. Food quality control and studies on human nutrition by mass spectrometric and nuclear magnetic resonance isotope ratio determination. Fresenius J. Anal. Chem. 1986, 324:760-766.
    • (1986) Fresenius J. Anal. Chem. , vol.324 , pp. 760-766
    • Schmidt, H.-L.1
  • 20
    • 79960105950 scopus 로고    scopus 로고
    • Correlation between isotopic and meteorological parameters in Italian wines: a local-scale approach
    • Aghemo C., Albertino A., Gobetto R., Spanna F. Correlation between isotopic and meteorological parameters in Italian wines: a local-scale approach. J. Sci. Food Agric. 2011, 91:2088-2094.
    • (2011) J. Sci. Food Agric. , vol.91 , pp. 2088-2094
    • Aghemo, C.1    Albertino, A.2    Gobetto, R.3    Spanna, F.4
  • 21
    • 84879317140 scopus 로고    scopus 로고
    • 18O of ethanol in wine and spirits for authentication purposes
    • 18O of ethanol in wine and spirits for authentication purposes. J. Food Sci. 2013, 78:C839-C844.
    • (2013) J. Food Sci. , vol.78
    • Perini, M.1    Camin, F.2
  • 22
    • 84857764155 scopus 로고    scopus 로고
    • The impact of grape varieties to wine isotopic characterization
    • Costinel D., Tudorache A., Ionete R.E., Vremera R. The impact of grape varieties to wine isotopic characterization. Anal. Lett. 2011, 44:2856-2864.
    • (2011) Anal. Lett. , vol.44 , pp. 2856-2864
    • Costinel, D.1    Tudorache, A.2    Ionete, R.E.3    Vremera, R.4
  • 23
    • 0001068186 scopus 로고
    • A new method for the identification of the origin of ethanols in grain and fruit spirits: high-field quantitative deuterium nuclear magnetic resonance at the natural abundance level
    • Martin G.J., Martin M.L., Mabor F., Michon M.J. A new method for the identification of the origin of ethanols in grain and fruit spirits: high-field quantitative deuterium nuclear magnetic resonance at the natural abundance level. J. Agric. Food Chem. 1983, 31:311-315.
    • (1983) J. Agric. Food Chem. , vol.31 , pp. 311-315
    • Martin, G.J.1    Martin, M.L.2    Mabor, F.3    Michon, M.J.4
  • 24
    • 0002922008 scopus 로고
    • Classification of Italian wines on a regional scale by means of a multi-isotopic analysis
    • Monetti A., Reniero F., Versini G. Classification of Italian wines on a regional scale by means of a multi-isotopic analysis. Z. Lebensm. Unters. Forsch. 1994, 199:311-316.
    • (1994) Z. Lebensm. Unters. Forsch. , vol.199 , pp. 311-316
    • Monetti, A.1    Reniero, F.2    Versini, G.3
  • 26
    • 0035937036 scopus 로고    scopus 로고
    • Use of SNIF-NMR and IRMS in combination with chemometric methods for the determination of chaptalisation and geographical origin of wines (the example of Slovenian wines)
    • Košir I.J., Kocjančič M., Orginc N., Kidrič J. Use of SNIF-NMR and IRMS in combination with chemometric methods for the determination of chaptalisation and geographical origin of wines (the example of Slovenian wines). Anal. Chim. Acta 2001, 429:195-206.
    • (2001) Anal. Chim. Acta , vol.429 , pp. 195-206
    • Košir, I.J.1    Kocjančič, M.2    Orginc, N.3    Kidrič, J.4
  • 27
    • 80052568929 scopus 로고    scopus 로고
    • 12C isotopic ratio determined by HPLC-co-IRMS: toward determining constants for wine authentication
    • 12C isotopic ratio determined by HPLC-co-IRMS: toward determining constants for wine authentication. Anal. Bioanal. Chem. 2011, 401:1551-1558.
    • (2011) Anal. Bioanal. Chem. , vol.401 , pp. 1551-1558
    • Guyon, F.1    Gaillard, L.2    Salagoity, M.H.3    Medina, B.4
  • 32
    • 84878032501 scopus 로고    scopus 로고
    • Independent component analysis algorithms for spectral decomposition in UV/vis analysis of metal-containing mixtures including multimineral food supplements and platinum concentrates
    • Monakhova Y.B., Kolesnikova S.S., Mushtakova S.P. Independent component analysis algorithms for spectral decomposition in UV/vis analysis of metal-containing mixtures including multimineral food supplements and platinum concentrates. Anal. Methods 2013, 5:2761-2772.
    • (2013) Anal. Methods , vol.5 , pp. 2761-2772
    • Monakhova, Y.B.1    Kolesnikova, S.S.2    Mushtakova, S.P.3
  • 34
    • 77953478637 scopus 로고    scopus 로고
    • Chemometrics-assisted spectrophotometric method for simultaneous determination of vitamins in complex mixtures
    • Monakhova Y.B., Mushtakova S.P., Kolesnikova S.S. Chemometrics-assisted spectrophotometric method for simultaneous determination of vitamins in complex mixtures. Anal. Bioanal. Chem. 2010, 397:1297-1306.
    • (2010) Anal. Bioanal. Chem. , vol.397 , pp. 1297-1306
    • Monakhova, Y.B.1    Mushtakova, S.P.2    Kolesnikova, S.S.3
  • 36
    • 84860689792 scopus 로고    scopus 로고
    • Independent component analysis of broadband near-infrared spectroscopy data acquired on adult human head
    • Schelkanova I., Toronov V. Independent component analysis of broadband near-infrared spectroscopy data acquired on adult human head. Biomed. Opt. Express 2012, 3:64-74.
    • (2012) Biomed. Opt. Express , vol.3 , pp. 64-74
    • Schelkanova, I.1    Toronov, V.2
  • 37
    • 84866532219 scopus 로고    scopus 로고
    • Monitoring of mucilage fromation in Italian seas investigated by infrared spectroscopy and independent component analysis
    • Mecozzi M., Pietroletti M., Scarpiniti M., Acquistucci R., Conti M.E. Monitoring of mucilage fromation in Italian seas investigated by infrared spectroscopy and independent component analysis. Environ. Monit. Assess. 2012, 184:6025-6036.
    • (2012) Environ. Monit. Assess. , vol.184 , pp. 6025-6036
    • Mecozzi, M.1    Pietroletti, M.2    Scarpiniti, M.3    Acquistucci, R.4    Conti, M.E.5
  • 38
    • 84857650902 scopus 로고    scopus 로고
    • Two novel methods for the determination of the number of components in independent component analysis models
    • Jouan-Rimbaud Bouveresse D., Moya-González A., Ammari F., Rutledge D.N. Two novel methods for the determination of the number of components in independent component analysis models. Chem. Intell. Lab. Syst. 2012, 112:24-32.
    • (2012) Chem. Intell. Lab. Syst. , vol.112 , pp. 24-32
    • Jouan-Rimbaud Bouveresse, D.1    Moya-González, A.2    Ammari, F.3    Rutledge, D.N.4
  • 41
    • 84873718258 scopus 로고    scopus 로고
    • Geographical origin identification of Romanian wines by ICP-MS elemental analysis
    • Geana I., Iordache A., Ionete R., Marinescu A., Ranca A., Culea M. Geographical origin identification of Romanian wines by ICP-MS elemental analysis. Food Chem. 2013, 138:1125-1134.
    • (2013) Food Chem. , vol.138 , pp. 1125-1134
    • Geana, I.1    Iordache, A.2    Ionete, R.3    Marinescu, A.4    Ranca, A.5    Culea, M.6
  • 42
    • 46149090559 scopus 로고    scopus 로고
    • Varietal discrimination of Australian wines by means of mid-infrared spectroscopy and multivariate analysis
    • Bevin C.J., Dambergs R.G., Fergusson A.J., Cozzolino D. Varietal discrimination of Australian wines by means of mid-infrared spectroscopy and multivariate analysis. Anal. Chim. Acta 2008, 621:19-23.
    • (2008) Anal. Chim. Acta , vol.621 , pp. 19-23
    • Bevin, C.J.1    Dambergs, R.G.2    Fergusson, A.J.3    Cozzolino, D.4
  • 44
    • 84901764745 scopus 로고    scopus 로고
    • OIV Resolution OIV/OENO 381/2009, Bestimmung der Deuteriumverteilung im Ethanol aus alkoholischen Getränken aus Erzeugnissen der Weinrebe mittels magnetischer Kernresonanz des Deuteriums (SNIF-NMR), Zagreb, Republic of Croatia, 2009.
    • OIV 2009 Resolution OIV/OENO 381/2009, Bestimmung der Deuteriumverteilung im Ethanol aus alkoholischen Getränken aus Erzeugnissen der Weinrebe mittels magnetischer Kernresonanz des Deuteriums (SNIF-NMR), Zagreb, Republic of Croatia, 2009.
    • (2009)
  • 45
    • 84901765729 scopus 로고    scopus 로고
    • OIV 2009 Resolution OIV/OENO 381/2009, Bestimmung des Isotopenverhältnisses 13C/12C von Ethanol aus alkoholischen Getränken aus Erzeugnissen der Weinrede mittels Isotopenmassenspektrometrie, Zagreb, Republic of Croatia
    • OIV 2009 Resolution OIV/OENO 381/2009, Bestimmung des Isotopenverhältnisses 13C/12C von Ethanol aus alkoholischen Getränken aus Erzeugnissen der Weinrede mittels Isotopenmassenspektrometrie, Zagreb, Republic of Croatia, 2009.
    • (2009)
  • 46
    • 84901763913 scopus 로고    scopus 로고
    • OIV 2009 Resolution OIV/OENO 353/2009, Methode zur Bestimmung des Isotopenverhältnisses 18O/16O von Wasser in Wein und Most, Zagreb, Republic of Croatia
    • OIV 2009 Resolution OIV/OENO 353/2009, Methode zur Bestimmung des Isotopenverhältnisses 18O/16O von Wasser in Wein und Most, Zagreb, Republic of Croatia, 2009.
    • (2009)
  • 47
    • 84892668137 scopus 로고    scopus 로고
    • SAISIR: a new general chemometric toolbox
    • Cordella C.B.Y., Bertrand D. SAISIR: a new general chemometric toolbox. Trends Anal. Chem. 2014, 54:75-82.
    • (2014) Trends Anal. Chem. , vol.54 , pp. 75-82
    • Cordella, C.B.Y.1    Bertrand, D.2
  • 48
    • 0242382684 scopus 로고    scopus 로고
    • Clustering of variables around latent components
    • Vigneau E., Qannari E.M. Clustering of variables around latent components. Commun. Stat.-Simulat. 2003, 32:1131-1150.
    • (2003) Commun. Stat.-Simulat. , vol.32 , pp. 1131-1150
    • Vigneau, E.1    Qannari, E.M.2
  • 50
    • 84901785233 scopus 로고    scopus 로고
    • (accessed 8.08.13).
    • A.V. Kraskov, 2013 (accessed 8.08.13). http://www.ucl.ac.uk/ion/departments/sobell/Research/RLemon/MILCA/MILCA.
    • (2013)
    • Kraskov, A.V.1
  • 53
    • 0000736392 scopus 로고    scopus 로고
    • Analysis of multiblock and hierarchical PCA and PLS models
    • Westerhuis J.A., Kourti T., Macgregor J.F. Analysis of multiblock and hierarchical PCA and PLS models. J. Chemometr. 1998, 12:301-321.
    • (1998) J. Chemometr. , vol.12 , pp. 301-321
    • Westerhuis, J.A.1    Kourti, T.2    Macgregor, J.F.3
  • 55
    • 0000339654 scopus 로고    scopus 로고
    • Multivariate modeling of the pharmaceutical 2-step process of wet granulation and tableting withmultiblock partial least-squares
    • Westerhuis J.A., Coenegracht P.M.J. Multivariate modeling of the pharmaceutical 2-step process of wet granulation and tableting withmultiblock partial least-squares. J. Chemometr. 1997, 11:379-392.
    • (1997) J. Chemometr. , vol.11 , pp. 379-392
    • Westerhuis, J.A.1    Coenegracht, P.M.J.2
  • 56
    • 85162731973 scopus 로고
    • A multiblock partial least squares algorithm for investigating complex chemical systems
    • Kowalski B.R., Wangen L.E. A multiblock partial least squares algorithm for investigating complex chemical systems. J. Chemometr. 1989, 3:3-20.
    • (1989) J. Chemometr. , vol.3 , pp. 3-20
    • Kowalski, B.R.1    Wangen, L.E.2
  • 58
    • 84870524811 scopus 로고    scopus 로고
    • Statistical methods for improving verification of claims of origin for Italian wines based on stable isotope ratios
    • Dordevic N., Wehrens R., Postma G.J., Buydens L.M.C., Camin F. Statistical methods for improving verification of claims of origin for Italian wines based on stable isotope ratios. Anal. Chim. Acta 2012, 757:19-25.
    • (2012) Anal. Chim. Acta , vol.757 , pp. 19-25
    • Dordevic, N.1    Wehrens, R.2    Postma, G.J.3    Buydens, L.M.C.4    Camin, F.5
  • 59
    • 9944248666 scopus 로고    scopus 로고
    • Wavelet multiscale regression from the perspective of data fusion: new conceptual approaches
    • Liu Y., Brown S.D. Wavelet multiscale regression from the perspective of data fusion: new conceptual approaches. Anal. Bioanal. Chem. 2004, 380:445-452.
    • (2004) Anal. Bioanal. Chem. , vol.380 , pp. 445-452
    • Liu, Y.1    Brown, S.D.2
  • 62
    • 84901771830 scopus 로고    scopus 로고
    • Variation of stable isotopes in several wine constituents inside limited areas and in relation to cultivar and altitude
    • Camin F., Versini G., Depentori D., Simoni M., Tonon A., Ziller L. Variation of stable isotopes in several wine constituents inside limited areas and in relation to cultivar and altitude. Proceedings AlpeAdria Symposium 2000, 613-628.
    • (2000) Proceedings AlpeAdria Symposium , pp. 613-628
    • Camin, F.1    Versini, G.2    Depentori, D.3    Simoni, M.4    Tonon, A.5    Ziller, L.6
  • 63
    • 34248386905 scopus 로고    scopus 로고
    • Common components and specific weight analysis and multiple co-inertia analysis applied to the coupling of several measurement techniques
    • Hanafi M., Mazerolles G., Dufour E., Qannari E.M. Common components and specific weight analysis and multiple co-inertia analysis applied to the coupling of several measurement techniques. J Chemometr. 2006, 20:1-12.
    • (2006) J Chemometr. , vol.20 , pp. 1-12
    • Hanafi, M.1    Mazerolles, G.2    Dufour, E.3    Qannari, E.M.4


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