Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models

Gaharu (agarwood, Aquilaria malaccensis Lamk.) is a valuable tropical rainforest product traded internationally for its distinctive fragrance. It is not only popular as incense and in perfumery, but also favored in traditional medicine due to its sedative, carminative, cardioprotective and analge...

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Main Authors:	Ismail, Siti Nazirah, Maulidiani, M., Akhtar, Muhammad Tayyab, Abas, Faridah, Ismail, Intan Safinar, Khatib, Alfi, Mohamad Ali, Nor Azah, Saari, Khozirah
Format:	Article
Language:	English English
Published:	Multidisciplinary Digital Publishing Institute (MDPI) 2017
Subjects:	SD Forestry
Online Access:	http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/1/Nazira%20Ismail%20et%20al%20%282017%29.pdf http://irep.iium.edu.my/59007/7/59007_Discriminative%20Analysis%20of%20Different%20Grades_scopus.pdf

id	iium-59007
recordtype	eprints
spelling	iium-590072018-04-18T04:25:14Z http://irep.iium.edu.my/59007/ Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models Ismail, Siti Nazirah Maulidiani, M. Akhtar, Muhammad Tayyab Abas, Faridah Ismail, Intan Safinar Khatib, Alfi Mohamad Ali, Nor Azah Saari, Khozirah SD Forestry Gaharu (agarwood, Aquilaria malaccensis Lamk.) is a valuable tropical rainforest product traded internationally for its distinctive fragrance. It is not only popular as incense and in perfumery, but also favored in traditional medicine due to its sedative, carminative, cardioprotective and analgesic effects. The current study addresses the chemical differences and similarities between gaharu samples of different grades, obtained commercially, using 1H-NMR-based metabolomics. Two classification models: partial least squares-discriminant analysis (PLS-DA) and Random Forests were developed to classify the gaharu samples on the basis of their chemical constituents. The gaharu samples could be reclassified into a ‘high grade’ group (samples A, B and D), characterized by high contents of kusunol, jinkohol, and 10-epi- -eudesmol; an ‘intermediate grade’ group (samples C, F and G), dominated by fatty acid and vanillic acid; and a ‘low grade’ group (sample E and H), which had higher contents of aquilarone derivatives and phenylethyl chromones. The results showed that 1H- NMR-based metabolomics can be a potential method to grade the quality of gaharu samples on the basis of their chemical constituents. Multidisciplinary Digital Publishing Institute (MDPI) 2017-09-25 Article PeerReviewed application/pdf en http://irep.iium.edu.my/59007/1/Nazira%20Ismail%20et%20al%20%282017%29.pdf application/pdf en http://irep.iium.edu.my/59007/7/59007_Discriminative%20Analysis%20of%20Different%20Grades_scopus.pdf Ismail, Siti Nazirah and Maulidiani, M. and Akhtar, Muhammad Tayyab and Abas, Faridah and Ismail, Intan Safinar and Khatib, Alfi and Mohamad Ali, Nor Azah and Saari, Khozirah (2017) Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models. molecules, 22 (10). pp. 1-13. ISSN 1420-3049 http://www.mdpi.com/1420-3049/22/10/1612/htm 10.3390/molecules22101612
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English English
topic	SD Forestry
spellingShingle	SD Forestry Ismail, Siti Nazirah Maulidiani, M. Akhtar, Muhammad Tayyab Abas, Faridah Ismail, Intan Safinar Khatib, Alfi Mohamad Ali, Nor Azah Saari, Khozirah Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
description	Gaharu (agarwood, Aquilaria malaccensis Lamk.) is a valuable tropical rainforest product traded internationally for its distinctive fragrance. It is not only popular as incense and in perfumery, but also favored in traditional medicine due to its sedative, carminative, cardioprotective and analgesic effects. The current study addresses the chemical differences and similarities between gaharu samples of different grades, obtained commercially, using 1H-NMR-based metabolomics. Two classification models: partial least squares-discriminant analysis (PLS-DA) and Random Forests were developed to classify the gaharu samples on the basis of their chemical constituents. The gaharu samples could be reclassified into a ‘high grade’ group (samples A, B and D), characterized by high contents of kusunol, jinkohol, and 10-epi- -eudesmol; an ‘intermediate grade’ group (samples C, F and G), dominated by fatty acid and vanillic acid; and a ‘low grade’ group (sample E and H), which had higher contents of aquilarone derivatives and phenylethyl chromones. The results showed that 1H- NMR-based metabolomics can be a potential method to grade the quality of gaharu samples on the basis of their chemical constituents.
format	Article
author	Ismail, Siti Nazirah Maulidiani, M. Akhtar, Muhammad Tayyab Abas, Faridah Ismail, Intan Safinar Khatib, Alfi Mohamad Ali, Nor Azah Saari, Khozirah
author_facet	Ismail, Siti Nazirah Maulidiani, M. Akhtar, Muhammad Tayyab Abas, Faridah Ismail, Intan Safinar Khatib, Alfi Mohamad Ali, Nor Azah Saari, Khozirah
author_sort	Ismail, Siti Nazirah
title	Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
title_short	Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
title_full	Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
title_fullStr	Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
title_full_unstemmed	Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models
title_sort	discriminative analysis of different grades of gaharu (aquilaria malaccensis lamk.) via 1h-nmr-based metabolomics using pls-da and random forests classification models
publisher	Multidisciplinary Digital Publishing Institute (MDPI)
publishDate	2017
url	http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/ http://irep.iium.edu.my/59007/1/Nazira%20Ismail%20et%20al%20%282017%29.pdf http://irep.iium.edu.my/59007/7/59007_Discriminative%20Analysis%20of%20Different%20Grades_scopus.pdf
first_indexed	2023-09-18T21:23:31Z
last_indexed	2023-09-18T21:23:31Z
_version_	1777412039665254400

Discriminative analysis of different grades of Gaharu (Aquilaria malaccensis Lamk.) via 1H-NMR-based metabolomics using PLS-DA and random forests classification models

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