Indonesian Journal of Chemistry
Vol 20, No 1 (2020)

Attenuated Total Reflectance-FTIR Spectra Combined with Multivariate Calibration and Discrimination Analysis for Analysis of Patchouli Oil Adulteration

Zaki Fahmi (Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia)
Mudasir Mudasir (Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia)
Abdul Rohman (Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia
Institute of Halal Industry and Systems, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia)



Article Info

Publish Date
31 Dec 2019

Abstract

The adulteration of high priced oils such as patchouli oil with lower price ones is motivated to gain the economical profits. The aim of this study was to use FTIR spectroscopy combined with chemometrics for the authentication of patchouli oil (PaO) in the mixtures with Castor Oil (CO) and Palm Oil (PO). The FTIR spectra of PaO and various vegetable oils were scanned at mid infrared region (4000–650 cm–1), and were subjected to principal component analysis (PCA). Quantitative analysis of PaO adulterated with CO and PO were carried out with multivariate calibration of Partial Least Square (PLS) regression. Based on PCA, PaO has the close similarity to CO and PO. From the optimization results, FTIR normal spectra in the combined wavenumbers of 1200–1000 and 3100–2900 cm–1 were chosen to quantify PaO in PO with coefficient of determination (R2) value of 0.9856 and root mean square error of calibration (RMSEC) of 4.57% in calibration model. In addition, R2 and root mean square error of prediction (RMSEP) values of 0.9984 and 1.79% were obtained during validation, respectively. The normal spectra in the wavenumbers region of 1200–1000 cm–1 were preferred to quantify PaO in CO with R2 value of 0.9816 and RMSEC of 6.89% in calibration, while in validation model, the R2 value of 0.9974 and RMSEP of 2.57% were obtained. Discriminant analysis was also successfully used for classification of PaO and PaO adulterated with PO and CO without misclassification observed. The combination of FTIR spectroscopy and chemometrics provided an appropriate model for authentication study of PaO adulterated with PO and CO.

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Journal Info

Abbrev

ijc

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry

Description

Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology ...