Monitoring a Coffee Roasting Process Based on Near‐Infrared and Raman Spectroscopy Coupled With Chemometrics

ABSTRACT Roasting is a fundamental step in coffee processing, where complex reactions form chemical compounds related to the coffee flavor and its health‐beneficial effects. These reactions occur on various time scales depending on the roasting conditions. To monitor the process and ensure reproducibility, the study proposes simple and fast techniques based on spectroscopy. This work uses analytical tools based on near‐infrared (NIR) and Raman spectroscopy to monitor the coffee roasting process by predicting chemical changes in coffee beans during roasting. Green coffee beans of Robusta and Arabica species were roasted at 240°C for different roasting times. The spectra of the samples were taken using the spectrometers and modeled by the k‐nearest neighbor regression (KNR), partial least squares regression (PLSR), and multiple linear regression (MLR) to predict concentrations from the spectral data sets. For NIR spectra, all the models provided satisfactory results for the prediction of chlorogenic acid, trigonelline, and DPPH radical scavenging activity with low relative root mean square error of prediction (pRMSEP < 9.649%) and high coefficient of determination ( R 2 > 0.915). The predictions for ABTS radical scavenging activity were reasonably good. On the contrary, the models poorly predicted the caffeine and total phenolic content (TPC). Similarly, all the models based on the Raman spectra provided good prediction accuracies for monitoring the dynamics of chlorogenic acid, trigonelline, and DPPH radical scavenging activity (pRMSEP < 7.849% and R 2 > 0.944). The results for ABTS radical scavenging activity, caffeine, and TPC were similar to those of NIR spectra. These findings demonstrate the potential of Raman and NIR spectroscopy methods in tracking chemical changes in coffee during roasting. By doing so, it may be possible to control the quality of coffee in terms of its aroma, flavor, and roast level.