Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species

In this study, an untargeted metabolomic approach was applied to analyze volatile secondary metabolites in five different essential oils (i.e., anise myrtle oil, honey myrtle oil, lemon myrtle oil, lemon-scented tea tree oil, and peppermint gum oil) from the Myrtaceae family, originating from the Au...

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Main Authors: Manickavasagam, Ganapaty, San, Priscilla Wong Chie, Gorji, Sara Ghorbani, Sungthong, Bunleu, Yong, Yoke Keong, Fitzgerald, Melissa, Dewi, Firli Rahmah Primula, Lim, Vuanghao
Format: Article
Language:English
Published: Springer Science and Business Media Deutschland 2024
Online Access:http://psasir.upm.edu.my/id/eprint/113672/1/113672.pdf
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author Manickavasagam, Ganapaty
San, Priscilla Wong Chie
Gorji, Sara Ghorbani
Sungthong, Bunleu
Yong, Yoke Keong
Fitzgerald, Melissa
Dewi, Firli Rahmah Primula
Lim, Vuanghao
author_facet Manickavasagam, Ganapaty
San, Priscilla Wong Chie
Gorji, Sara Ghorbani
Sungthong, Bunleu
Yong, Yoke Keong
Fitzgerald, Melissa
Dewi, Firli Rahmah Primula
Lim, Vuanghao
author_sort Manickavasagam, Ganapaty
collection UPM
description In this study, an untargeted metabolomic approach was applied to analyze volatile secondary metabolites in five different essential oils (i.e., anise myrtle oil, honey myrtle oil, lemon myrtle oil, lemon-scented tea tree oil, and peppermint gum oil) from the Myrtaceae family, originating from the Australian bush plants. A total of 503 volatile secondary metabolites were tentatively identified across the five oils using static headspace two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS). Both principal component analysis and partial least squares discriminant analysis generated using the identified metabolites revealed a clear discrimination into five clusters of oils. Nevertheless, only 24 of 503 identified metabolites significantly differentiated the five essential oils and these metabolites were identified as biomarkers based on their variable importance in the projection score. In terms of cluster analysis, the essential oils were clustered into five different groups using hierarchical cluster analysis. However, K-mean clustering showed that lemon myrtle oil and lemon-scented tea tree oil were clustered together due to their very close chemical composition compared to the other studied essential oils. Additionally, metabolite set enrichment analysis revealed that ketones represented the primary class in all essential oils, followed by aryl-aldehydes. In summary, despite belonging to the same Myrtaceae family, these oils can be well discriminated based on their respective species.
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spelling upm.eprints-1136722025-02-12T07:26:01Z http://psasir.upm.edu.my/id/eprint/113672/ Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species Manickavasagam, Ganapaty San, Priscilla Wong Chie Gorji, Sara Ghorbani Sungthong, Bunleu Yong, Yoke Keong Fitzgerald, Melissa Dewi, Firli Rahmah Primula Lim, Vuanghao In this study, an untargeted metabolomic approach was applied to analyze volatile secondary metabolites in five different essential oils (i.e., anise myrtle oil, honey myrtle oil, lemon myrtle oil, lemon-scented tea tree oil, and peppermint gum oil) from the Myrtaceae family, originating from the Australian bush plants. A total of 503 volatile secondary metabolites were tentatively identified across the five oils using static headspace two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS). Both principal component analysis and partial least squares discriminant analysis generated using the identified metabolites revealed a clear discrimination into five clusters of oils. Nevertheless, only 24 of 503 identified metabolites significantly differentiated the five essential oils and these metabolites were identified as biomarkers based on their variable importance in the projection score. In terms of cluster analysis, the essential oils were clustered into five different groups using hierarchical cluster analysis. However, K-mean clustering showed that lemon myrtle oil and lemon-scented tea tree oil were clustered together due to their very close chemical composition compared to the other studied essential oils. Additionally, metabolite set enrichment analysis revealed that ketones represented the primary class in all essential oils, followed by aryl-aldehydes. In summary, despite belonging to the same Myrtaceae family, these oils can be well discriminated based on their respective species. Springer Science and Business Media Deutschland 2024 Article PeerReviewed text en http://psasir.upm.edu.my/id/eprint/113672/1/113672.pdf Manickavasagam, Ganapaty and San, Priscilla Wong Chie and Gorji, Sara Ghorbani and Sungthong, Bunleu and Yong, Yoke Keong and Fitzgerald, Melissa and Dewi, Firli Rahmah Primula and Lim, Vuanghao (2024) Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species. Chemistry Africa, 7. pp. 3067-3075. ISSN 2522-5766 https://link.springer.com/article/10.1007/s42250-024-01000-6?error=cookies_not_supported&code=dc342e8b-d98e-47a1-b1b8-16f12e7d73b3 10.1007/s42250-024-01000-6
spellingShingle Manickavasagam, Ganapaty
San, Priscilla Wong Chie
Gorji, Sara Ghorbani
Sungthong, Bunleu
Yong, Yoke Keong
Fitzgerald, Melissa
Dewi, Firli Rahmah Primula
Lim, Vuanghao
Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title_full Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title_fullStr Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title_full_unstemmed Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title_short Unbiased metabolomics of volatile secondary metabolites in essential oils originated from Myrtaceae species
title_sort unbiased metabolomics of volatile secondary metabolites in essential oils originated from myrtaceae species
url http://psasir.upm.edu.my/id/eprint/113672/1/113672.pdf
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