Skip to main content
SpringerLink
Log in

Fruit juice authentication by 1H NMR spectroscopy in combination with different chemometrics tools

  • Original Paper
  • Published:
Analytical and Bioanalytical Chemistry Aims and scope Submit manuscript

Abstract

To discriminate orange juice from grapefruit juice in a context of fraud prevention, 1H NMR data were submitted to different treatments to extract informative variables which were then analysed using multivariate techniques. Averaging contiguous data points of the spectrum followed by logarithmic transformation improved the results of the data analysis. Moreover, supervised variable selection methods gave better rates of classification of the juices into the correct groups. Last, independent-component analysis gave better classification results than principal-component analysis. Hence, ICA may be an efficient chemometric tool to detect differences in the 1H NMR spectra of similar samples, and so may be useful for authentication of foods.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6

Similar content being viewed by others

References

  1. Dai Q, Borenstein AD, Wu Y, Jackson JC, Larson EB (2006) Am J Med 119:751

    Google Scholar 

  2. Fry J, Martin GG, Lees M (1994) In: Ashurst PR (ed) Authentification of orange juice in production and packaging of non-carbonated fruit juices and fruit beverages. Blackie, London

  3. Hammond DA (1998) Fruit Process 3:86

  4. Johnston MR, Kauffman FL (1985) J Food Qual 8:81

    Article  Google Scholar 

  5. Martin GG (1992) Fruit Process 2:123

    Google Scholar 

  6. Martin GG, Guillou C, Martin YL (1995) Fruit Process 8:246

    Google Scholar 

  7. Martin GG, Wood RGJ (1996) JAOAC Int 79:917

    CAS  Google Scholar 

  8. Patel T (1994) New Sci 142:26

    Google Scholar 

  9. Robards K, Antolovich M (1995) Analyst 120:1

    Article  CAS  Google Scholar 

  10. Wade RL (1995) Fruit Process 11:358

    Google Scholar 

  11. Blumenthal D, Holland L (1989) Orange juice: pure or adulterated? FDA Consumer

  12. Vogels JTWE, Terwel L, Tas AC, Van Den Berg F, Dukel F, Van Der Greef J (1996) J Agric Food Chem 44:175

    Article  CAS  Google Scholar 

  13. Fragaki G, Spyros A, Siragakis G, Salivaras E, Dais P (2005) J Agric Food Chem 53:2810

    Article  CAS  Google Scholar 

  14. Fauhl C, Reniero F, Guillou C (2000) Magn Reson Chem 38:436

    Article  CAS  Google Scholar 

  15. Brescia MA, Caldarola V, De Giglio A, Benedetti D, Fanizzi FP, Sacco A (2002) Anal Chim Acta 458:177

    Article  CAS  Google Scholar 

  16. Belton PS, Delgadillo I, Holmes E, Nicholls A, Nicholson JK, Spraul M (1996) J Agric Food Chem 44:1483

    Article  CAS  Google Scholar 

  17. Colquhoun IJ (1998) Spectrosc Eur 10:425

    Google Scholar 

  18. Le Gall G, Puaud M, Colquhoun IJ (2001) J Agric Food Chem 49:580

    Article  Google Scholar 

  19. Gil AM, Duarte CA, Godejohann M, Braumann U, Maraschin M, Spraul M (2003) Anal Chim Acta 488:35

    Article  CAS  Google Scholar 

  20. Craig A, Cloarec O, Holmes E, Nicholson JK, Lindon JC (2006) Anal Chem 78:2262

    Article  CAS  Google Scholar 

  21. Cuny M, Le Gall G, Colquhoun IJ, Lees M, Rutledge DN (2007) Anal Chim Acta 597:203

    Article  CAS  Google Scholar 

  22. Vigneau E, Qannari EM (2003) Commun Statistics 32:1131

    Article  Google Scholar 

  23. Vigneau E, Sahmer K, Qannari EM, Bertrand D (2005) J Chemom 19:122

    Article  CAS  Google Scholar 

  24. Malinowski ER (1991), Factor analysis in chemistry, 3rd ed. Wiley, New York

    Google Scholar 

  25. Anemuller J, Sejnowski TJ, Makeig S (2003) Neutral Networks 16:1311

    Article  Google Scholar 

  26. Vigario R, Särelä R, Oja E (1998) Proc Int Conf Artificial Neural Networks, Skövde, Sweden

  27. Vigario R (1997) Electroenceph Clin Neurophysiol 103:395

    Google Scholar 

  28. Hyvarinen A, Oja E (2000) Neural Netw 13:411

    Article  CAS  Google Scholar 

  29. IFU 58, Determination of hesperidin and naringin by HPLC, 1991

  30. Belton PS, Delgadillo I, Gil AM, Roma P, Casuscelli F, Colquhoun IJ, Dennis MJ, Spraul M (1997) Magn Reson Chem 35:52

    Article  Google Scholar 

  31. Tomasi G, van den Berg F, Anderson C (2004) J Chemom 18:231

    Article  CAS  Google Scholar 

  32. Nielsen NPV, Carstensen JM, Smedsgaard J (1998) J Chromatogr A 805:17

    Article  CAS  Google Scholar 

  33. Guo Q, Wu W, Massart DL, Boucon C, de Jong S (2002) Chemom Intell Lab Syst 61:123

    Article  CAS  Google Scholar 

  34. Krzanowski WJ (1987) Appl Statist 36:22

    Article  Google Scholar 

  35. Hoskuldsson A (2001) Chemom Intell Lab Syst 55:23

    Article  CAS  Google Scholar 

  36. Guo Q, Wu W, Massart DL, Boucon C, de Jong S (2001) Anal Chim Acta 446:85

    Article  CAS  Google Scholar 

  37. Questier F, Put R, Coomans D, Walczak B, Vander Heyden Y (2005) Chemom Intell Lab Syst 76:45

    Article  CAS  Google Scholar 

  38. Breiman L, Friedman JH, Olshen RA, Stone CJ (1984) Wadsworth International Proceedings, Monterey, CA, USA

  39. Llobet E, Gualdron O, Vinaixa M, El-Barbri N, Brezmes J, Vilanova X, Bouchikhi B, Gomez R, Carrasco JA, Correig X (2007) Chemom Intell Lab Syst 55:253

    Article  Google Scholar 

  40. Chtioui Y, Bertrand D, Barba D (1998) J Sci Food Agric 76:77

    Article  CAS  Google Scholar 

  41. Abrahamsson C, Johansson J, Sparen A, Lindgren F (2003) Chemom Intel Lab Syst 69:3

    Article  CAS  Google Scholar 

  42. Jiang JH, Berry RJ, Siesler HW, Ozaki Y (2002) Anal Chem 74:3555

    Article  CAS  Google Scholar 

  43. Guthrie JA, Walsh KB, Reid DJ, Liebenberg CJ (2005) Aust J Agric Res 56:405

    Article  Google Scholar 

  44. Guthrie JA, Liebenberg CJ, Walsh KB (2006) Aust J Agric Res 57:1

    Article  Google Scholar 

  45. Hyvarinen A, Karhunen J, Oja E (2001) Independent-component analysis. Wiley, New York

    Google Scholar 

  46. Cichocki A, Amari S (2002) Adaptive blind signal and image processing. Learning algorithms and applications. Wiley, New York

    Google Scholar 

  47. Hyvarinen A (1999) http://www.cs.utexas.edu/∼kuipers/readings/Hyvarinen-ncs-99.pdf

  48. Astakhov SA, Stogbauer H, Kraskov A, Grassberger P (2005) arXiv:physics/0412029v2

  49. Cardoso JF (1995) Blind separation of real signals with JADE, Version 1.5, http://www.tsi.enst.fr/icacentral/Algos/cardoso/

  50. Cardoso JF (1999) Neural Comput 11:157

    Article  CAS  Google Scholar 

  51. Cardoso JF, Souloumiac A (1993) IEE Proc 140(6):362

    Google Scholar 

  52. Kohovi R, Provost F (1998) Mach Learn 30:271

    Article  Google Scholar 

  53. USDA (1999) http://www.ars.usda.gov/is/np/phenolics/phentab3.htm

  54. Duarte IF, Delgadillo I, Gil AM (2006) Food Chem 96:313

    Article  CAS  Google Scholar 

  55. Colquhoun IJ, Goodfellow BJ (1994) J Chem Soc Perkin Trans 2:1803

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Eurofins Scientific Analytics, rue Pierre Adolphe Bobierre, BP 42301, 44323, Nantes cedex 3, France

    M. Cuny & M. Lees

  2. ENITIAA/INRA, UMR Sensometrics and Chemometrics, rue de la Géraudière, BP 82225, 44322, Nantes cedex 3, France

    E. Vigneau

  3. Institute of Food Research, Norwich Research Park, Colney, Norwich, NR4 7UA, UK

    G. Le Gall & I. Colquhoun

  4. AgroParisTech/INRA UMR214 “IAQA”, 16 rue Claude Bernard, 75341, Paris cedex 5, France

    M. Cuny & D. N. Rutledge

Authors
  1. M. Cuny
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. Vigneau
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. G. Le Gall
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. I. Colquhoun
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. M. Lees
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. D. N. Rutledge
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to M. Lees.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Cuny, M., Vigneau, E., Le Gall, G. et al. Fruit juice authentication by 1H NMR spectroscopy in combination with different chemometrics tools. Anal Bioanal Chem 390, 419–427 (2008). https://doi.org/10.1007/s00216-007-1708-y

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00216-007-1708-y

Keywords

Search

Navigation