Anjos, O.Caldeira, I.Fernandes, T.A.Pedro, S.I.Vitória, C.Oliveira-Alves, S.Catarino, S.Canas, S.2022-02-032022-02-032022Anjos, O.; Caldeira, I.; Fernandes, T.A.; Pedro, S.I.; Vitória, C.; Oliveira-Alves, S.; Catarino, S.; Canas, S. PLS-R Calibration Models forWine Spirit Volatile Phenols Prediction by Near-Infrared Spectroscopy. Sensors 2022, 22, 286http://hdl.handle.net/10400.5/23368Near-infrared spectroscopic (NIR) technique was used, for the first time, to predict volatile phenols content, namely guaiacol, 4-methyl-guaiacol, eugenol, syringol, 4-methyl-syringol and 4- allyl-syringol, of aged wine spirits (AWS). This study aimed to develop calibration models for the volatile phenol’s quantification in AWS, by NIR, faster and without sample preparation. Partial least square regression (PLS-R) models were developed with NIR spectra in the near-IR region (12,500–4000 cm􀀀1) and those obtained from GC-FID quantification after liquid-liquid extraction. In the PLS-R developed method, cross-validation with 50% of the samples along a validation test set with 50% of the remaining samples. The final calibration was performed with 100% of the data. PLS-R models with a good accuracy were obtained for guaiacol (r2 = 96.34; RPD = 5.23), 4-methyl-guaiacol (r2 = 96.1; RPD = 5.07), eugenol (r2 = 96.06; RPD = 5.04), syringol (r2 = 97.32; RPD = 6.11), 4-methylsyringol (r2 = 95.79; RPD = 4.88) and 4-allyl-syringol (r2 = 95.97; RPD = 4.98). These results reveal that NIR is a valuable technique for the quality control of wine spirits and to predict the volatile phenols content, which contributes to the sensory quality of the spirit beveragesengNIRcalibration modelsPLS-Rvolatile phenolsaged wine spiritjournal articlehttps://doi.org/10.3390/s22010286