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Prediction of fatty acids in chocolates with emphasis on C18:1 trans fatty acids positional isomers using ATR-FTIR associated with multivariate calibration.

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This work aimed to predict C18:1 TFA isomers as well as other groups of fatty acids (saturated, monounsaturated, polyunsaturated, and total TFA) in chocolates by ATR-FTIR and partial least square… Click to show full abstract

This work aimed to predict C18:1 TFA isomers as well as other groups of fatty acids (saturated, monounsaturated, polyunsaturated, and total TFA) in chocolates by ATR-FTIR and partial least square regression. The quantification of fatty acids in representative samples (white, dark, and milk chocolates) was rapid (<30 s) and did not require derivatization. The optimized models showed satisfactory linear correlations when compared to a reference gas chromatographic method. Coefficients of correlation for prediction considering C18:1 positional isomers were 0.973 (trans 6-8); 0.991 (trans 9); 0.991 (trans 10); 0.988 (trans 11), and 0.998 (trans 12). When considering fatty acids groups, these coefficients ranged from 0.965 to 0.999. The obtained results indicate that this straightforward procedure is suitable for chocolate analysis, providing its general lipid composition and TFA isomeric profile, which would be of great interest for quality control programs in the face of the new TFA regulations.

Keywords: positional isomers; acids chocolates; fatty acids; atr ftir; prediction fatty

Journal Title: Journal of agricultural and food chemistry
Year Published: 2020

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