ATR-FTIR spectral fingerprinting and Chemometric classification of Labisia pumila varieties with exploratory screening of herbal products

Ibrahim, Ida Syazrina and Abdullah Sani, Muhamad Shirwan and Mohamad Zainoor, Noraida and Mohd Said, Mazlina and Jamal, Jamia Azdina (2026) ATR-FTIR spectral fingerprinting and Chemometric classification of Labisia pumila varieties with exploratory screening of herbal products. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 366 (NA). pp. 1-15. ISSN 1386-1425 E-ISSN 1873-3557

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Abstract

Labisia pumila (syn. Marantodes pumilum), an important medicinal herb in Southeast Asia, exhibits compositional variability that complicates authentication of raw materials and related herbal products. In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy combined with chemometric analysis was applied as a rapid and non-destructive approach for differentiating authenticated cultivated L. pumila var. alata and var. pumila materials, and plant parts, with exploratory screening of related commercial herbal medicinal products (HMPs). A total of 310 ATR-FTIR technical replicate spectra were acquired from authenticated raw materials collected from multiple locations in Peninsular Malaysia and from solid commercial HMP contents. The fingerprint region of 1646–720 cm 1 provided the most informative spectral variation for sample discrimination. Principal component analysis (PCA), hierarchical cluster analysis (HCA), and partial least squares-discriminant analysis (PLS-DA) were used to evaluate spectral classification. PCA and HCA supported separation between L. pumila var. alata and var. pumila based on discriminative spectral features in the fingerprint region, while PCA additionally revealed clustering patterns associated with leaf and stem-root tissues. The final PLS-DA model, developed using the 273-variable fingerprint-region subset (1646–720 cm 1 ) of the 490 VIP-selected variables from Savitzky–Golay first-derivative spectra, classified authenticated cultivated L. pumila var. alata and var.

Item Type:	Article (Journal)
Uncontrolled Keywords:	Labisia pumila; ATR-FTIR spectroscopy; Spectral fingerprinting; Chemometrics; PLS-DA; Herbal medicinal products
Subjects:	Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	International Institute for Halal Research and Training (INHART)
Depositing User:	Muhamad Shirwan Abdullah Sani
Date Deposited:	08 Oct 2026 14:35
Last Update:	08 Oct 2026 14:35
Queue Number:	2026-10-Q5464
URI:	http://irep.iium.edu.my/id/eprint/131740
Indexed In:	SCOPUS, Google Scholar

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