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PLS-R calibration models for wine spirit volatile phenols prediction by Near-Infrared Spectroscopy
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Advisor(s)
Abstract(s)
Near-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 beverages.
Description
Keywords
NIR Calibration models PLS-R Volatile phenols Aged wine spirit
Citation
ANJOS, O [et al.] (2021) - PLS-R calibration models for wine spirit volatile phenols prediction by Near-Infrared Spectroscopy. Sensors.Vol. 22, n.º 1, p. 286. DOI 10.3390/s22010286