title: Quantification of phenolic compounds during red winemaking using FT-MIR spectroscopy and PLS-regression.
abstract: We present a rapid method to quantify phenolic compounds all during the red winemaking process using Fourier transform mid-infrared (FT-MIR) spectroscopy and chemometrics. To get the reference values, we used the usual UV–vis spectroscopy methods, and the compounds studied were evaluated as total phenolic compounds (TPC), total anthocyanins (TA), and condensed tannins (CT). Sampling from five different grape varieties (Merlot, Tempranillo, Syrah, Cariñena, and Cabernet sauvignon), harvested at different ripening states, and monitored over 10 days of vinification produced a total of 600 spectra. These were used to build and validate four different predictive models by partial least-squares (PLS) regression. The spectral regions selected for each model were between 979 and 2989 cm(–1), and when selecting the most suitable one in each case, good values of performance parameters were obtained (R2(val) > 0.95 and RPD > 4.0 for TPC; R2(val) > 0.90 and RPD > 3.0 for TA; R2(val) < 0.8 and RPD < 3.0 for CT). Furthermore, also more specific PLS regression models for each phenolic parameter and each grape variety were developed using different regions with results similar to those obtained when dealing with all of the grape varieties. It is concluded that FT-MIR spectroscopy together with multivariate calibration could be a rapid and valuable tool for wineries to carry out the monitoring of phenolic compound extraction during winemaking.
authors: Group of Analytical Chemistry of Wine and Food, Department of Analytical Chemistry and Organic Chemistry Campus Sescelades, Faculty of Oenology, Universitat Rovira i Virgili, 43007 Tarragona, Spain.
authors: Sandra
authors: S
authors: Fragoso
authors: Laura
authors: L
authors: Aceña
authors: Josep
authors: J
authors: Guasch
authors: Montserrat
authors: M
authors: Mestres
authors: Olga
authors: O
authors: Busto
mesh_terms: D000872:Anthocyanins / Q000032:analysis; D005511:Food Handling; D005638:Fruit / Q000737:chemistry; D016018:Least-Squares Analysis; D010636:Phenols / Q000032:analysis*; D012016:Reference Values; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013634:Tannins / Q000032:analysis; D027843:Vitis; D014920:Wine / Q000032:analysis*
chemical_list: D000872:Anthocyanins; D010636:Phenols; D013634:Tannins