Rapid determination of sucrose in chocolate mass using near infrared spectroscopy

• Published in: Analytica chimica acta Vol. 631; no. 2; pp. 206 - 211
• Main Author: da Costa Filho, Paulo Augusto
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 12-01-2009; Elsevier
• Subjects: Analytical chemistry; Broad-based calibration; Chemistry; Chemometrics; Chocolate; Exact sciences and technology; Near infrared spectroscopy; Spectrometric and optical methods; Sucrose; Near infrared spectroscopy; Chocolate; Broad-based calibration; Sucrose; Chemometrics; Correlation coefficient; Performance evaluation; Linear regression; Calibration; Multiple regression; Regression coefficient; PLS regression; Near infrared spectrometry; Genetic algorithm; Regression model; Mass spectrometry
• ISSN: 0003-2670; 1873-4324
• DOI: 10.1016/j.aca.2008.10.049

This paper reports the results of a rapid method to determine sucrose in chocolate mass using near infrared spectroscopy (NIRS). We applied a broad-based calibration approach, which consists in putting together in one single calibration samples of various types of chocolate mass. This approach increases the concentration range for one or more compositional parameters, improves the model performance and requires just one calibration model for several recipes. The data were modelled using partial least squares (PLS) and multiple linear regression (MLR). The MLR models were developed using a variable selection based on the coefficient regression of PLS and genetic algorithm (GA). High correlation coefficients (0.998, 0.997, 0.998 for PLS, MLR and GA-MLR, respectively) and low prediction errors confirms the good predictability of the models. The results show that NIR can be used as rapid method to determine sucrose in chocolate mass in chocolate factories.