Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques
El Newehy, N., Omran, G., Harraz, F., Shawky, E., Beltagy, A. (2025). Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques. EKB Journal Management System, 2(1), 44-53. doi: 10.21608/japs.2024.320326.1028
Nihal M. El Newehy; Gamal A. Omran; Fathallah M. Harraz; Eman Shawky; Amira M. Beltagy. "Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques". EKB Journal Management System, 2, 1, 2025, 44-53. doi: 10.21608/japs.2024.320326.1028
El Newehy, N., Omran, G., Harraz, F., Shawky, E., Beltagy, A. (2025). 'Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques', EKB Journal Management System, 2(1), pp. 44-53. doi: 10.21608/japs.2024.320326.1028
El Newehy, N., Omran, G., Harraz, F., Shawky, E., Beltagy, A. Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques. EKB Journal Management System, 2025; 2(1): 44-53. doi: 10.21608/japs.2024.320326.1028

Rapid discrimination of Nigella Sativa oil from different geographical origins using ATR-FTIR-unsupervised and supervised pattern recognition techniques

Journal of Advanced Pharmaceutical Sciences
Volume 2, Issue 1, January 2025, Pages 44-53    PDF (783.32 K)
Document Type: Original Article
DOI: 10.21608/japs.2024.320326.1028
Authors
Nihal M. El Newehy* 1; Gamal A. Omran2; Fathallah M. Harraz3; Eman Shawky3; Amira M. Beltagy1
1Department of Pharmacognosy, Faculty of Pharmacy, Damanhour University
2Department of Biochemistry, Faculty of Pharmacy, Damanhour University
3Department of Pharmacognosy, Faculty of Pharmacy, Alexandria University
Abstract
Previous metabolomics studies have proven the efficiency of infrared (IR) spectroscopy as a tool for authenticity assessment. Attenuated total reflectance – Fourier transform infrared spectroscopy (ATR-FTIR), with principal component analysis (PCA) and bidirectional orthogonal projection to latent structures-discriminant analysis (O2PLS-DA), was used to create a model for the discrimination of N. sativa oil samples gathered from three geographical areas; Egypt, Ethiopia and Syria. It is reported that, for herbal drug treatments even from the equal species, the quality and efficacy are somewhat different according to their growing conditions. The unsupervised pattern recognition of variable authentic samples utilizing PCA and HCA (Hierarchical Cluster Analysis) revealed that each oil type was separately clustered from the others. 
The data matrix of ATR-FTIR was handled by the supervised pattern recognition technique O2PLS-DA to give a better clustering and a better separation between sample types than given by PCA. For the first time, this study built a partial least square (PLS) model used to predict thymoquinone concentration in any new N. sativa seed oil only by its ATR FT-IR spectrum. Furthermore, OPLS and its HCA model of authentic samples have been used to predict types of commercial oil samples obtained from the Egyptian market and compare them with sellers' claims.
As demonstrated in this study, the recommended method might be used to regularly evaluate the phytochemical variability in N. sativa seed oil varieties sourced from various regions, which could aid in meeting the demand for their quality and safety.  

Highlights

•    ATR-FTIR has been used for the quality assessment of N.sativa oils.
•    Multivariate analysis could discriminate oils from different origins.
•    OPLS and HCA models were built for authentic oil samples.
•     Models predict commercial oil types and compare them with sellers' claims. 
•    Only 29.6% of oil samples were considered well-claimed by sellers.

 

Keywords
Nigella sativa seed oil; ATR-FTIR; Geographical origin; Multivariate analysis
Supplementary Files
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