Identification of Variety and Prediction of Chemical Composition in Cocoa Beans (Theobroma cacao L.) by FT-MIR Spectroscopy and Chemometrics.

Cocoa is rich in polyphenols and alkaloids that act as antioxidants, anticarcinogens, and anti-inflammatories. Analytical methods commonly used to determine the proximal chemical composition of cocoa, total phenols, and antioxidant capacity are laborious, costly, and destructive. It is important to develop fast, simple, and inexpensive methods to facilitate their evaluation. Chemometric models were developed to identify the variety and predict the chemical composition (moisture, protein, fat, ash, pH, acidity, and phenolic compounds) and antioxidant capacity (ABTS and DPPH) of three cocoa varieties. SIMCA model showed 99% reliability. Quantitative models were developed using the PLS algorithm and favorable statistical results were obtained for all models: 0.93 < R2c < 0.98 (R2c: calibration determination coefficient); 0.03 < SEC < 4.34 (SEC: standard error of calibration). Independent validation of the quantitative models confirmed their good predictive ability: 0.93 < R2v < 0.97 (R2v: validation determination coefficient); 0.04 < SEP < 3.59 (SEP: standard error of prediction); 0.08 < % error < 10.35). SIMCA model and quantitative models were applied to five external cocoa samples, obtaining their chemical composition using only 100 mg of sample in less than 15 min. FT-MIR spectroscopy coupled with chemometrics is a viable alternative to conventional methods for quality control of cocoa beans without using reagents, and with the minimum sample preparation and quantity.

Uses of FT-MIR Spectroscopy and Multivariate Analysis in Quality Control of Coffee, Cocoa, and Commercially Important Spices.

Nowadays, coffee, cocoa, and spices have broad applications in the food and pharmaceutical industries due to their organoleptic and nutraceutical properties, which have turned them into products of great commercial demand. Consequently, these products are susceptible to fraud and adulteration, especially those sold at high prices, such as saffron, vanilla, and turmeric. This situation represents a major problem for industries and consumers' health. Implementing analytical techniques, i.e., Fourier transform mid-infrared (FT-MIR) spectroscopy coupled with multivariate analysis, can ensure the authenticity and quality of these products since these provide unique information on food matrices. The present review addresses FT-MIR spectroscopy and multivariate analysis application on coffee, cocoa, and spices authentication and quality control, revealing their potential use and elucidating areas of opportunity for future research.