The Use of Chemometrics for Classification of Sidaguri (Sida rhombifolia) Based on FTIR Spectra and Antiradical Activities

Abdul Rohman(1*), Asefin Nurul Ikhtiarini(2), Widiastuti Setyaningsih(3), Mohamad Rafi(4), Nanik Siti Aminah(5), Muhamad Insanu(6), Irnawati Irnawati(7), Djoko Santosa(8)

(1) Center of Excellence Institute of Halal Industry and Systems, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia; Department of Pharmaceutical Chemistry Faculty of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia
(2) Department of Pharmaceutical Chemistry Faculty of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia
(3) Department of Food and Agricultural Product Technology, Faculty of Agricultural Technology, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia
(4) Department of Chemistry, Faculty of Mathematics and Natural Sciences, IPB University, Jl. Tanjung Kampus IPB Dramaga, Bogor 16680, Indonesia
(5) Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Airlangga, Jl. Mulyorejo Kampus C Unair, Surabaya 60286, Indonesia
(6) Pharmaceutical Biology Research Group, School of Pharmacy, Institute Technology Bandung, Jl. Ganesha 10, Bandung 40132, Indonesia
(7) Faculty of Pharmacy, Halu Oleo University, Kendari Indonesia
(8) Department of Pharmaceutical Biology, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta 55281, Indonesia
(*) Corresponding Author


Sidaguri (Sida rhombifolia) is one of the herbal components used in traditional medicine. The application of chemometrics in the standardization of herbal medicine is common. The objective of this study was to classify Sidaguri from different regions based on FTIR spectra with chemometrics of principal component analysis (PCA) and to correlate the antioxidant activities with FTIR spectra using the multivariate calibration of partial least square regression (PLSR). The extraction of Sidaguri powder was performed using ultrasound-assisted extraction (UAE) at optimum conditions. The obtained extracts were subjected to antiradical scavenging activities using DPPH (2,2’-diphenyl-1-picrylhydrazyl) and ABTS (2,2′-azinobis-3-ethylbenzothiazoline-6-sulfonic acid) radicals. The PCA result shows that Sidaguri from different regions could be separated using 14 wavenumbers of FTIR spectra based on the PCA's loading plot. PLSR regression using the second derivative FTIR spectra at wavenumbers of 3662–659 cm–1 could predict radical scavenging activities (RSA) of Sidaguri with R2 values of 0.9636 and 0.9024 for calibration and validation models, with RMSEC and RMSEP values of 1.45% and 2.65%, respectively. It can be concluded that FTIR spectra treated by PCA were reliable for classifying Sidaguri from different regions. At the same time, PLSR was accurate and precise enough to predict the RSA of Sidaguri.


Sidaguri; herbal standardization; principal component analysis; radical scavenging activities; partial least square regression

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