Prediction of antioxidant activities of Sidaguri (Sida rhombifolia) with different harvesting times using FTIR spectra and chemometrics

Abstract

Sidaguri (Sida rhombifolia) is one of the compound plants widely used as herbal components and is reported to contain some bioactive responsible for biological activities including antioxidants. This study aimed to evaluate the antioxidant activities of Sidaguri from different harvesting times and to correlate FTIR spectroscopy in combination with chemometrics for the prediction of antioxidant activities. Sidaguri was planted and cultivated for the third, fourth, and fifth months and then evaluated for its antioxidant activities, phenolic contents, and flavonoid contents. Sidaguri samples were also subjected to FTIR spectral measurement to be correlated with scavenging activity toward 2,2′- diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis-3-ethylbenzothiazoline-6-sulfonic acid. The results showed that the longer harvesting time tends to lower the antioxidant activities which can be associated with the lower bioactive components responsible for antioxidant activities. Partial least square applied to 1st derivative FTIR spectra using absorbances at wavenumbers of 3700-650 cm-1 provide the best modelling for correlation between actual values of antioxidant and predicted values with R2 -calibration and R2 - validation of 0.9995 and 0.9998, with the root mean square error of calibration (RMSEC), the root mean square error of calibration (RMSEP) values of 0.0674 and 0.0827, PRESS and the root-mean-square error of cross-validation (RMSECV) values 0.226 and 0.194, respectively. The chemometrics of principal component analysis (PCA) could separate Sidaguri samples harvested during different months. FTIR spectra in combination with chemometrics could be an alternative method for the prediction of antioxidant activities of Sidaguri with acceptable accuracy and precision.