Identification of cocoa bean quality by near infrared spectroscopy and multivariate modeling

Authors

DOI:

https://doi.org/10.33448/rsd-v10i15.22732

Keywords:

Quality control; NIR spectroscopy; PLS-DA; PLS; Chemometry.

Abstract

Cocoa is a commodity responsible for the income of millions of people and the manufacture of several important products for the food, pharmaceutical, and cosmetic industries. Its quality is associated with several factors involved in the processing steps, mainly in fermentation and drying. The objective of this study was to evaluate the application of near-infrared spectroscopic data associated with multivariate analysis to classify cocoa beans according to their quality and predict attributes such as pH and total acidity by PLS-DA and PLS, respectively. The pH values (4.4-6.7) and total acidity (6.12-29.9) were determined by conventional methods. The PLS-DA proved to be effective in differentiating the classes of cocoa samples with superior and inferior quality, presenting in the validation 100% and 71.43% correct cocoa bean classification with inferior Quality and Higher Quality, respectively. The models obtained by PLS presented satisfactory parameters, being classified as having moderate practical utility and excellent predictive capacity for pH and moderate practical utility and reasonable predictive capacity for total acidity. Thus, the potential of the NIRS technology associated with chemometrics was found and showed efficiency in the classification and prediction of attributes in cocoa beans.

References

Afoakwa, E. O. (2011). Cocoa cultivation, bean composition and chocolate flavor precursor formation and character. Chocolate Science and Technology, 12-34.

Alvarez, C., Perez, E., Cros, E., Lares, M., Assemat, S., Boulanger, R. & Davrieux, F. (2012). The use of near infrared spectroscopy to determine the fat, caffeine, theobromine and epicatechin contents in unfermented and sun-dried beans of criollo cocoa. J Near Infrared Spectrosc, 20, 307–315.

Anyidoho, E. K., Teye, E., Agbemafle, R., Amuah, C. L. Y. & Boadu, V. G. (2021). Application of portable near infrared spectroscopy for classifying and quantifying cocoa bean quality parameters. Journal of Food Processing and Preservation, 45(5), 1–13.

AOAC. (2010). Official Methods of Analysis of Association of Official Analytical Chemists (18th ed.).

Barbin, D. F., Maciel, L. F., Bazoni, C. H. M., Ribeiro, M. D. S., Carvalho, E. D. S., Bispo, M. D. P. S. & Miranda, E.Y. (2018). Classification and compositional characterization of different varieties of cocoa beans by near infrared spectroscopy and multivariate statistical analyses. Journal of Food Science & Technology, 55, 2457-2466.

Barrientos, L. D. P., Oquendo, J. D. T., Garzón, M. A. G. & Álvarez, O. L. M. (2019). Effect of the solar drying process on the sensory and chemical quality of cocoa (Theobroma cacao L.) cultivated in Antioquia, Colombia. Food Research International, 115(52), 259–267.

Beg, M. S., Ahmad, S., Jan, K. & Bashir, K. (2017). Status, supply chain and processing of cocoa - A review. Trends in Food Science and Technology, 66, 108–116.

BRASIL. Ministério da Agricultura, Pecuária e Abastecimento-Instrução Normativa n° 38, de 23 de jun. de 2008. Regulamento Técnico da Amêndoa de Cacau. Diário Oficial da União, Brasília, 30 jun. 2008. Seção I, pg.2.

CoEx. (2017). Elements of harmonized international standards for cocoa quality and flavour assessment.

Crafack, M., Keul, H., Eskildsen, C. E., Petersen, M. A., Saerens, S., Blennow, A., Skovmand-Larsen, M., Swiegers, J. H., Petersen, G. B., Heimdal, H. & Nielsen, D. S. (2014). Impact of starter cultures and fermentation techniques on the volatile aroma and sensory profile of chocolate. Food Research International, 63, 306–316.

Cruz-Tirado, J. P., Fernández Pierna, J. A., Rogez, H., Barbin, D. F. & Baeten, V. (2020). Authentication of cocoa (Theobroma cacao) bean hybrids by NIR-hyperspectral imaging and chemometrics. Food Control, 118, 107445.

Diomande, D., Antheaume, I., Leroux, M., Lalande, J., Balayssac, S., Remaud, G. S. & Tea, I. (2015). Multi-element, multi-compound isotope profiling as a means to distinguish the geographical and varietal origin of fermented cocoa (Theobroma cacao L.) beans. Food Chemistry,188, 576–582.

Hayati, R., Zulfahrizal, Z. & Munawar, A. A. (2021). Robust prediction performance of inner quality attributes in intact cocoa beans using near infrared spectroscopy and multivariate analysis. Heliyon, 7(2), e06286.

Hernandez-Hernandez, C., Fernandez-Cabanas, V. M., Rodríguez-Gutierrez, G., Fernandez-Prior, A. & Morales-Sillero, A. (2022). Rapid screening of unground cocoa beans based on their content of bioactive compounds by NIR spectroscopy. Food Control, 131,1-9.

Kadow, D., Bohlmann, J., Phillips, W. & Lieberei, R. (2013). Identification of main fine or flavour components in two genotypes of the cocoa tree (Theobroma cacao L.). Journal of Applied Botany and Food Quality, 86, 90–98.

Krähmer, A., Engel, A., Kadow, D., Ali, N., Umaharan, P., Kroh, L. W. & Schulz, H. (2015). Fast and neat–determination of biochemical quality parameters in cocoa using near infrared spectroscopy. Food Chemistry, 181,152-159.

Lima, A. B. S. de, Batista, A. S., Jesus, J. C. de, Silva, J. de J., Araújo, A. C. M. & Santos, L. S. (2020). Fast quantitative detection of black pepper and cumin adulterations by near-infrared spectroscopy and multivariate modeling. Food Control, 107.

Lohumi, S. H., Lee, S., Lee, H. & Cho, B-K. (2015). A review of vibrational spectroscopic techniques for the detection of food authenticity and adulteration. Trends in Food Science e Technology, 46 (1), 85-98.

L opes, J., Lima, A., Ribeiro, R., Santos, L. S., Viana, M., Passini, S. & Ferr, B. (2022). Application of spectroscopic techniques and chemometric methods to differentiate between true cinnamon and false cinnamon. Food Chemistry, 368.

Nogueira, B.L. (2015). Processamento do cacau: avaliação do teor nutricional do chocolate e dos outros derivados do cacau. (TCC) em Engenharia Bioquímica, Universidade de São Paulo.

Nunes, C. A., Freitas, M. P., Pinheiro, A. C. M. & Bastos, S. C. (2012). Chemoface: A novel free user-friendly interface for chemometrics. Journal of the Brazilian Chemical Society, 23(11), 2003–2010.

Oliveira, L. F., Braga, S. C. G. N., Augusto, F., Hashimoto, J. C., Efraim, P. & Poppi, R. J. (2016). Differentiation of cocoa nibs from distinct origins using comprehensive twodimensional gas chromatography and multivariate analysis. Food Research International, 90, 133-138.

Peláez, P. P., Guerra, S. & Contreras, D. (2016). Changes in physical and chemical characteristics of fermented cocoa (Theobroma cacao) beans with manual and semi-mechanized transfer, between fermentation boxes. Scientia Agropecuaria, 07(02), 111–119.

Santos, I. A., Conceição, D. G., Viana, M. B., Silva, G. de J., Santos, L. S. & Ferrão, S. P. B. (2021). NIR and MIR spectroscopy for quick detection of the adulteration of cocoa content in chocolates. Food Chemistry, 349.

Souza, A. M. D., Breitkreitz, M. C., Filgueiras, P. R., Rohwedder, J. J. R. & Poppi, R. J. (2013). Experimento didático de quimiometria para calibração multivariada na determinação de paracetamol em comprimidos comerciais utilizando espectroscopia no infravermelho próximo: um tutorial, parte II. Química Nova, 36 (7), 1057-1065.

Sunoj, S., Igathinathane, C. & Visvanathan, R. (2016). Nondestructive determination of cocoa bean quality using FT-NIR spectroscopy. Computers and Electronics in Agriculture, 124, 234–242.

Veselá, A., Barros, A. S., Synytsya, A, Delgadillo, I., Čopíková, J. & Coimbra, M. A. (2007). Infrared spectroscopy and outer product analysis for quantification of fat, nitrogen, and moisture of cocoa powder. Anal Chim Acta, 601(1), 77–86.

Whitacre, E., Oliver, J., Van, D. B. R., Van E. P., Kremers, B., Van, D. H. B., Stewart, M. & Jansen-Beuvink, A. (2003) Predictive analysis of cocoa procyanidins using near-infrared spectroscopy techniques. J Food Sci, 68, 2618–2622.

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Published

20/11/2021

How to Cite

BATISTA, A. S.; OLIVEIRA, T. de F.; PEREIRA, I. de O. .; SANTOS, L. S. Identification of cocoa bean quality by near infrared spectroscopy and multivariate modeling. Research, Society and Development, [S. l.], v. 10, n. 15, p. e64101522732, 2021. DOI: 10.33448/rsd-v10i15.22732. Disponível em: https://rsdjournal.org/index.php/rsd/article/view/22732. Acesso em: 22 nov. 2024.

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Section

Agrarian and Biological Sciences