Application of FTIR-ATR to Moscatel dessert wines for prediction of total phenolic and flavonoid contents and antioxidant capacity
- Resource Type
- Authors
- Sandra D. Silva; Rodrigo P. Feliciano; Luís Vilas Boas; Maria Rosário Bronze
- Source
- Food chemistry. 150
- Subject
- chemistry.chemical_classification
Flavonoids
Chromatography
DPPH
Flavonoid
Wine
General Medicine
Antioxidants
Analytical Chemistry
chemistry.chemical_compound
Antioxidant capacity
chemistry
Phenols
Attenuated total reflection
Partial least squares regression
Spectroscopy, Fourier Transform Infrared
Ftir atr
Fourier transform infrared spectroscopy
Food Science
- Language
- ISSN
- 1873-7072
Fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) was applied for the determination of total phenolic and flavonoid contents and antioxidant capacity (DPPH and FRAP assays) in Moscatel dessert wines ( n = 56). Prediction models were developed for the referred parameters using Partial Least Squares (PLS) considering the spectral region 1800–900 cm −1 . The determination coefficients ( r 2 ) values in the calibration models ranged from 0.670 to 0.870. Cross validation (leave-one-out technique) was applied to the data. Root mean square errors of calibration (RMSEC) and cross validation (RMSECV) as well as the relative errors of prediction (REP) were calculated. Minimum errors of prediction were obtained for total flavonoid content (0.2%) and maximum values (22%) for antioxidant capacity measured by FRAP. The proposed method may be used for rapid screening of total phenolic and flavonoid contents in Moscatel dessert wines. The implemented methodologies may also be used to get rough estimates for DPPH and FRAP antioxidant capacities.