Skip to main content

NMR Spectroscopy and Learning-Based Classification of Acerola Samples

  • Conference paper
  • First Online:
Product Lifecycle Management. PLM in Transition Times: The Place of Humans and Transformative Technologies (PLM 2022)

Abstract

Acerola (Malpighia emarginata DC) is an exotic fruit that has a high agro-industrial potential. It is known to be rich in ascorbic acid, phenolic compounds, and carotenoid pigments. These nutrients make acerola one of the best sources of natural antioxidants, helping to prevent many conditions and delay aging. Acerola fruit is transformed into concentrate juice then powder to be incorporated into nutritional supplements. The natural ascorbic acid content of juice powders must be between 16 and 17%. Unfortunately, the origin of ascorbic acid in acerola-based products is not always natural. That is to say, some food manufacturers add synthetic ascorbic acid to reach the recommended values (16 to 17%), which can be considered as a falsification of the product. Since a decade, the control of the life cycle and the quality of foodstuffs is an increasingly important concern. In this context, EVEAR Extraction (French company) establishes a high level of traceability of its extracts by combining sourcing, extraction processes and laboratory controls throughout the production process. The determination of the composition of raw material and final products can be determined by spectrometric analysis and more precisely by Nuclear Magnetic Resonance (NMR) spectroscopy. However, spectral analysis remains a tedious and time-consuming task requiring an expert.

In this study, the feasibility of discriminating acerola-based product was investigated using 1H NMR spectroscopy in combination with a supervised classification procedure consisting of several steps: principal component analysis (PCA), a fast Fourier transform (FFT) and a neuronal network classification. A total of 6 classes (Colored Acerola powder, Acerola concentrate, Acerola powder, Ascorbic Acid, Acerola with added ascorbic acid, Other extract) were examined. Following the classical approaches, we opted for a convergent network using hidden layers and a divergent output. The results demonstrate that 1H NMR spectroscopy combined with ANN analysis is an effective tool for verifying the nature of Acerola samples.

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

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Aghdam, H.H., Heravi, E.J.: Guide to convolutional neural networks. New York NY: Springer 10(978–973), 51 (2017)

    Google Scholar 

  2. Albertino, A., Barge, A., Cravotto, G., Genzini, L., Gobetto, R., Vincenti, M.: Natural origin of ascorbic acid: validation by 13C NMR and IRMS. Food Chem. 112(3), 715–720 (2009)

    Article  Google Scholar 

  3. Alves Filho, E., Silva, L.M., Canuto, K.: Metabolomic profiling of acerola clones according to the ripening stage. Food Mesure 15, 416–424 (2021)

    Article  Google Scholar 

  4. Anand, P., Revathy, B.: Acerola, an untapped functional superfruit: a review on latest frontiers. J. Food Sci. Technol. 55, 3373–3384 (2018)

    Article  Google Scholar 

  5. Belwal, T., et al.: Phytopharmacology of acerola (Malpighia spp.) and its potential as functional food. Trends Food Sci. Technol. 74, 99–106 (2018)

    Article  Google Scholar 

  6. Deborde, C., Moing, A., Roch, L., Jacob, D., Rolin, D., Giraudeau, P.: Plant metabolism as studied by NMR spectroscopy. Prog. Nucl. Magn. Reson. Spectrosc. 102–103, 61–97 (2017)

    Article  Google Scholar 

  7. Ellingsen, I., Seljeflot, I., Arnesen, H., Tonstad, S.: Vitamin c consumption is associated with less progression in carotid intima media thickness in elderly men: a 3-year intervention study. Nutr. Metab. Cardiovasc. Dis. 19, 8–14 (2009)

    Article  Google Scholar 

  8. Findik, R., Ilkaya, F., Guresci, S., Guzel, H., Karabulut, S., Karakaya, J.: Effect of vitamin C on collagen structure of cardinal and uterosacral ligaments during pregnancy. Eur. J. Obstet. Gynecol. Reproductive Biol. 201, 31–35 (2016)

    Article  Google Scholar 

  9. Grotch, S.L.: Matching of mass spectra when peak height is encoded to one bit. Anal. Chem. 42(11), 1214–1222 (1970)

    Article  Google Scholar 

  10. Gu, J., et al.: Recent advances in convolutional neural networks. Pattern Recogn. 77, 354–377 (2018)

    Article  Google Scholar 

  11. Knock, B., Smith, I., Wright, D., Ridley, R., Kelly, W.: Compound identification by computer matching of low resolution mass spectra. Anal. Chem. 42(13), 1516–1520 (1970)

    Article  Google Scholar 

  12. Lorena, A.C., Garcia, L.P., Lehmann, J., Souto, M.C., Ho, T.K.: How complex is your classification problem? A survey on measuring classification complexity. ACM Comput. Surv. (CSUR) 52(5), 1–34 (2019)

    Article  Google Scholar 

  13. Lussier, F., Thibault, V., Charron, B., Wallace, G.Q., Masson, J.F.: Deep learning and artificial intelligence methods for Raman and surface-enhanced Raman scattering. TrAC Trends Anal. Chem. 124, 115796 (2020)

    Article  Google Scholar 

  14. Pauli, G., Jaki, B., Lankin, D.: Quantitative 1 h NMR: development and potential of a method for natural products analysis. J. Nat. Prod. 68, 133–149 (2005)

    Article  Google Scholar 

  15. Podmore, I., Griffiths, H., Herbert, K., Mistry, N., Mistry, P., Lunec, J.: Vitamin c exhibits pro-oxidant properties. Nature 392, 559 (1998)

    Article  Google Scholar 

  16. Pomyen, Y., Wanichthanarak, K., Poungsombat, P., Fahrmann, J., Grapov, D., Khoomrung, S.: Deep metabolome: applications of deep learning in metabolomics. Comput. Struct. Biotechnol. J. 18, 2818–2825 (2020)

    Article  Google Scholar 

  17. Shamsaldin, A.S., Fattah, P., Rashid, T.A., Al-Salihi, N.K.: A study of the convolutional neural networks applications. UKH J. Sci. Eng. 3(2), 31–40 (2019)

    Article  Google Scholar 

  18. Smolinska, A., Blanchet, L., Buydens, L., Wijmenga, S.: NMR and pattern recognition methods in metabolomics: from data acquisition to biomarker discovery: a review. Anal. Chim. Acta 750, 82–97 (2012)

    Article  Google Scholar 

  19. Tan, J., Yang, J., Wu, S., Chen, G., Zhao, J.: A critical look at the current train/test split in machine learning. arXiv preprint arXiv:2106.04525 (2021)

  20. Ward, J., Baker, J., Beale, M.: Recent applications of NMR spectroscopy in plant metabolomics. FEBS J. 274, 1126–1131 (2007)

    Article  Google Scholar 

  21. Yang, J., Xu, J., Zhang, X., Wu, C., Lin, T., Ying, Y.: Deep learning for vibrational spectral analysis: recent progress and a practical guide. Anal. Chim. Acta 1081, 6–17 (2019)

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Baudouin Dafflon .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2023 IFIP International Federation for Information Processing

About this paper

Check for updates. Verify currency and authenticity via CrossMark

Cite this paper

Combis, L. et al. (2023). NMR Spectroscopy and Learning-Based Classification of Acerola Samples. In: Noël, F., Nyffenegger, F., Rivest, L., Bouras, A. (eds) Product Lifecycle Management. PLM in Transition Times: The Place of Humans and Transformative Technologies. PLM 2022. IFIP Advances in Information and Communication Technology, vol 667. Springer, Cham. https://doi.org/10.1007/978-3-031-25182-5_32

Download citation

  • DOI: https://doi.org/10.1007/978-3-031-25182-5_32

  • Published:

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-031-25181-8

  • Online ISBN: 978-3-031-25182-5

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics