Mid-infrared spectroscopy for the rapid quantification of eucalyptus oil adulteration in Australian tea tree oil (Melaleuca alternifolia)
Copyright © 2022 Elsevier B.V. All rights reserved..
Essential oil distilled from Melaleuca alternifolialeaves, commonly known as tea tree oil, is well known for its biological activity, principally its antimicrobial properties. However, many samples are adulterated with other, cheaper essential oils such as eucalyptus oil. Current methods of detecting such adulteration are costly and time-consuming, making them unsuitable for rapid authentication screening. This study investigated the use of mid-infrared (MIR) spectroscopy for detecting and quantifying the level of eucalyptus oil adulteration in spiked samples of pure Australian tea tree oil. To confirm the authenticity of the tea tree oil samples, GC-MS analysis was used to profile 37 of the main volatile constituents present, demonstrating that the samples conformed to ISO specifications. Three chemometric regression techniques (PLSR, PCR and SVR) were trialled on the MIR spectra, along with a variety of pre-processing techniques. The best-performing full-wavelength PLSR model showed excellent prediction of eucalyptus oil content, with an R2CV of 0.999 and RMSECV of 1.08 % v/v. The RMSECV could be further improved to 0.82 % v/v through a moving window wavenumber optimisation process. The results suggest that MIR spectroscopy combined with PLSR can be used to predict eucalyptus oil adulteration in Australian tea tree oil samples with a high level of accuracy.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2022 |
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| Erschienen: |
2022 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:283 |
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| Enthalten in: |
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy - 283(2022) vom: 15. Dez., Seite 121766 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Johnson, Joel B [VerfasserIn] |
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| Links: |
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| Themen: |
2R04ONI662 |
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| Anmerkungen: |
Date Completed 13.09.2022 Date Revised 13.09.2022 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1016/j.saa.2022.121766 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| 520 | |a Essential oil distilled from Melaleuca alternifolialeaves, commonly known as tea tree oil, is well known for its biological activity, principally its antimicrobial properties. However, many samples are adulterated with other, cheaper essential oils such as eucalyptus oil. Current methods of detecting such adulteration are costly and time-consuming, making them unsuitable for rapid authentication screening. This study investigated the use of mid-infrared (MIR) spectroscopy for detecting and quantifying the level of eucalyptus oil adulteration in spiked samples of pure Australian tea tree oil. To confirm the authenticity of the tea tree oil samples, GC-MS analysis was used to profile 37 of the main volatile constituents present, demonstrating that the samples conformed to ISO specifications. Three chemometric regression techniques (PLSR, PCR and SVR) were trialled on the MIR spectra, along with a variety of pre-processing techniques. The best-performing full-wavelength PLSR model showed excellent prediction of eucalyptus oil content, with an R2CV of 0.999 and RMSECV of 1.08 % v/v. The RMSECV could be further improved to 0.82 % v/v through a moving window wavenumber optimisation process. The results suggest that MIR spectroscopy combined with PLSR can be used to predict eucalyptus oil adulteration in Australian tea tree oil samples with a high level of accuracy | ||
| 650 | 4 | |a Journal Article | |
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| 700 | 1 | |a Cozzolino, Daniel |e verfasserin |4 aut | |
| 700 | 1 | |a Naiker, Mani |e verfasserin |4 aut | |
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