Essential Oil Quality and Purity Evaluation via FT-IR Spectroscopy and Pattern Recognition Techniques
Source abstract
Abstract
Essential oils are highly volatile, aromatic concentrated extracts from plants with wide applications. In this study, fast, easy-to-use attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR) was combined with chemometric techniques to verify essential oils’ taxonomy and purity. Principal component analysis (PCA) clustered 30 essential oil samples into three different groups based on plant botanical family and concentration. The first group contained highly concentrated oils from the Asteraceae family, the second group contained highly concentrated oils from the Lamiaceae family, while the last group contained three highly concentrated essential oils from different botanical families and commercial-grade essential oils. Thus, commercial-grade oil samples did not cluster with the corresponding concentrated oil samples despite their similar spectral patterns or botanical family. A loading plot identified infrared (IR) bands that correspond to carbonyl, vinyl, methyl and methylene group vibrations as the most important spectral bands that can be used as marker bands for discrimination between different botanical plant family groups. Hierarchical cluster analysis (HCA) confirmed the results obtained by PCA. ATR-FTIR spectroscopy combined with chemometric algorithms provides a direct and non-destructive method for chemotaxonomic classification of medicinal and aromatic essential oils and an assessment of their purity.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Essential Oils and Antimicrobial Activity · Spectroscopy and Chemometric Analyses · Phytochemistry and Biological Activities
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Pharmaceutical and Toxicological Chemistry named after Arzamastsev of the Institute of Pharmacy, I.M. Sechenov First Moscow State Medical University (Sechenov University), Moscow 119991, Russia
School of Pharmacy and Biomedical Sciences, La Trobe Institute for Molecular Sciences, La Trobe University, Edwards Rd, Bendigo 3550, Australia
Department of Analytical Chemistry, University of Belgrade-Faculty of Chemistry, Studentski trg 12–16, 11000 Belgrade, Serbia
Department of Pharmacy, Institute of Pharmacy, I.M. Sechenov First Moscow State Medical University (Sechenov University), 119991 Moscow, Russia
References (29)
Show source-provided references
1. Models for skin and brain penetration of major components from essential oils used in aromatherapy for dementia patients10.1080/07391102.2019.1633408 ↗
2. Anxiolytic Terpenoids and Aromatherapy for Anxiety and Depression10.1007/978-3-030-42667-5_11 ↗
3. Essential oils and functional herbs for healthy aging10.4103/1673-5374.245467 ↗
4. Essential oil counterfeit identification through middle infrared spectroscopy10.1016/j.microc.2018.03.008 ↗
5. FDA (2009). Economically Motivated Adulteration; Public Meeting; Request for Comment. Fed. Regist., 74, 15497–15499.
6. Gas chromatographic methods for oil analysis10.1016/S0021-9673(02)00995-0 ↗
7. A chemometric assessment of essential oil variation of three Salvia species indigenous to South Africa10.1016/j.phytochem.2019.112249 ↗
8. High-performance thin-layer chromatography analysis of steviol glycosides in Stevia formulations and sugar-free food products, and benchmarking with (ultra) high-performance liquid chromatography10.1016/j.chroma.2014.05.016 ↗
9. Detection of argan oil adulteration with vegetable oils by high-performance liquid chromatography–evaporative light scattering detection10.1016/j.foodchem.2013.12.084 ↗
10. Novel approach to study fish oil oxidation using 1H nuclear magnetic resonance spectroscopy10.1016/j.jff.2017.06.050 ↗
11. Detection of virgin olive oil adulteration using a voltammetric e-tongue10.1016/j.compag.2014.08.002 ↗
12. Effects of thyme (Thymus vulgaris L.) and rosemary (Rosmarinus officinalis L.) essential oils on growth of Brochothrix thermosphacta10.5897/AJMR12.1618 ↗
13. Sun, D.-W. (2009). Infrared Spectroscopy for Food Quality Analysis and Control, Academic Press.
14. Vibrational spectroscopic studies to acquire a quality control method of Eucalyptus essential oils10.1002/bip.20284 ↗
15. Coates, J. (2006). Interpretation of Infrared Spectra, a Practical Approach. Encyclopedia of Analytical Chemistry: Applications, Theory and Instrumentation, John Wiley & Sons, Ltd.
16. Extraction, isolation and characterization of bioactive compounds from plants’ extracts
17. Geographical classification of honey samples by near-infrared spectroscopy: A feasibility study10.1021/jf072010q ↗
18. Chemometric characterization of wines according to their HPTLC fingerprints10.1007/s00217-016-2779-9 ↗
19. Assessment of antioxidant activity in Victorian marine algal extracts using high performance thin-layer chromatography and multivariate analysis10.1016/j.chroma.2016.09.041 ↗
20. Exploration of medicinal species of Fabaceae, Lamiaceae and Asteraceae families in Ilkhji region, eastern Azerbaijan Province (Northwestern Iran)
21. Biological activities of Asteraceae (Achillea millefolium and Calendula officinalis) and Lamiaceae (Melissa officinalis and Origanum majorana) plant extracts10.1007/s11130-016-0596-8 ↗
22. Rummens, F.H.A. (1963). A Study in Monoterpene Chemistry by Physical Methods. [Ph.D. Thesis, Technische Hogeschool Eindhoven].
23. FTIR analysis and quantification of phenols and flavonoids of five commercially available plants extracts used in wound healing10.1590/S1517-707620160003.0072 ↗
24. Sampling flower scent for chromatographic analysis10.1002/jssc.200800151 ↗
25. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy on intact dried Leaves of sage (Salvia officinalis L.): Accelerated chemotaxonomic discrimination and analysis of essential oil composition10.1021/acs.jafc.5b03852 ↗
26. Effect of the matrix system in the delivery and in vitro bioactivity of microencapsulated Oregano essential oil10.1016/j.jfoodeng.2011.05.043 ↗
27. Traceability of active compounds of essential oils in antimicrobial food packaging using a chemometric method by ATR-FTIR10.4236/ajac.2017.811053 ↗
28. Chemical composition, antioxidant and antimicrobial activity of chamomile flowers essential oil (Matricaria chamomilla L.)10.1080/0972060X.2016.1224689 ↗
29. Preliminary evaluation of the application of the FTIR spectroscopy to control the geographic origin and quality of virgin olive oils10.1111/j.1745-4557.2007.00132.x ↗