Identification of Spectral Regions for the Quantification of Red Wine Tannins with Fourier Transform Mid-Infrared Spectroscopy

• Published in: Journal of agricultural and food chemistry 2008-05, Vol.56 (10), p.3493-3499
• Main Authors: Jensen, Jacob S, Egebo, Max, Meyer, Anne S
• Format: Article
• Language: English
• Subjects: Analytical Methods; Biological and medical sciences; calibration; Fermented food industries; food composition; Food industries; Fourier transform infrared spectroscopy; FT-MIR spectroscopy; Fundamental and applied biological sciences. Psychology; Least-Squares Analysis; model validation; new methods; partial least-squares regression; prediction; quantitative analysis; red wine; red wines; regression analysis; spectral analysis; Spectroscopy, Fourier Transform Infrared; tannins; Tannins - analysis; variable selection; Wine - analysis; Wines and vinegars
• ISSN: 0021-8561; 1520-5118
• DOI: 10.1021/jf703573f

Accomplishment of fast tannin measurements is receiving increased interest as tannins are important for the mouthfeel and color properties of red wines. Fourier transform mid-infrared spectroscopy allows fast measurement of different wine components, but quantification of tannins is difficult due to interferences from spectral responses of other wine components. Four different variable selection tools were investigated for the identification of the most important spectral regions which would allow quantification of tannins from the spectra using partial least-squares regression. The study included the development of a new variable selection tool, iterative backward elimination of changeable size intervals PLS. The spectral regions identified by the different variable selection methods were not identical, but all included two regions (1485−1425 and 1060−995 cm−1), which therefore were concluded to be particularly important for tannin quantification. The spectral regions identified from the variable selection methods were used to develop calibration models. All four variable selection methods identified regions that allowed an improved quantitative prediction of tannins (RMSEP = 69−79 mg of CE/L; r = 0.93−0.94) as compared to a calibration model developed using all variables (RMSEP = 115 mg of CE/L; r = 0.87). Only minor differences in the performance of the variable selection methods were observed.