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1H-NMR and UPLC-MS metabolomics: Functional tools for exploring chemotypic variation in Sceletium tortuosum from two provinces in South Africa.
Phytochemistry. 2018 Aug; 152:191-203.P

Abstract

Sceletium tortuosum (Aizoaceae) is widely recognised for the treatment of stress, anxiety and depression, as well as for obsessive compulsive disorders. A comprehensive intraspecies chemotypic variation study, using samples harvested from two distinct regions of South Africa, was done using both proton nuclear magnetic resonance (1H-NMR) spectroscopy of methanol extracts (N = 145) and ultra performance liquid chromatography-mass spectrometry (UPLC-MS) of acid/base extracts (N = 289). Chemometric analysis of the 1H-NMR data indicated two main clusters that were region-specific (Northern Cape and Western Cape provinces). Two dimensional (2D) NMR was used to identify analytes that contributed to the clustering as revealed by the S-plot. The sceletium alkaloids, pinitol and two alkylamines, herein reported for the first time from S. tortuosum, were identified as markers that distinguished the two groups. Relative quantification of the marker analytes conducted by qNMR indicated that samples from the Northern Cape generally contained higher concentrations of all the markers than samples from the Western Cape. Quantitative analysis of the four mesembrine alkaloids using a validated UPLC-photo diode array (PDA) detection method confirmed the results of qNMR with regard to the total alkaloid concentrations. Samples from the Northern Cape Province were found to contain, on average, very high total alkaloids, ranging from 4938.0 to 9376.8 mg/kg dry w. Regarding the Western Cape samples, the total yields of the four mesembrine alkaloids were substantially lower (averages 16.4-4143.2 mg/kg). Hierarchical cluster analysis of the UPLC-MS data, based on the alkaloid chemistry, revealed three branches, with one branch comprising samples primarily from the Northern Cape that seemed somewhat chemically conserved, while the other two branches represented mainly samples from the Western Cape. The construction of an orthogonal projections to latent structures-discriminant analysis model and subsequent loadings plot, allowed alkaloid markers to be identified for each cluster. The diverse sceletium alkaloid chemistry of samples from the three clusters may facilitate the recognition of alkaloid profiles, rather than individual compounds, that exert targeted effects on various brain receptors involved in stress, anxiety or depression.

Authors+Show Affiliations

National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, MS 38677, USA.National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, The University of Mississippi, MS 38677, USA; Department of Pharmacognosy, School of Pharmacy, The University of Mississippi, MS 38677, USA.Department of Pharmaceutical Sciences, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa; SAMRC Herbal Drugs Unit, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa.Department of Pharmaceutical Sciences, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa.Department of Pharmaceutical Sciences, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa.Department of Pharmaceutical Sciences, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa; SAMRC Herbal Drugs Unit, Tshwane University of Technology, Private Bag X680, Pretoria 0001, South Africa. Electronic address: viljoenam@tut.ac.za.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

29783186

Citation

Zhao, Jianping, et al. "1H-NMR and UPLC-MS Metabolomics: Functional Tools for Exploring Chemotypic Variation in Sceletium Tortuosum From Two Provinces in South Africa." Phytochemistry, vol. 152, 2018, pp. 191-203.
Zhao J, Khan IA, Combrinck S, et al. 1H-NMR and UPLC-MS metabolomics: Functional tools for exploring chemotypic variation in Sceletium tortuosum from two provinces in South Africa. Phytochemistry. 2018;152:191-203.
Zhao, J., Khan, I. A., Combrinck, S., Sandasi, M., Chen, W., & Viljoen, A. M. (2018). 1H-NMR and UPLC-MS metabolomics: Functional tools for exploring chemotypic variation in Sceletium tortuosum from two provinces in South Africa. Phytochemistry, 152, 191-203. https://doi.org/10.1016/j.phytochem.2018.03.013
Zhao J, et al. 1H-NMR and UPLC-MS Metabolomics: Functional Tools for Exploring Chemotypic Variation in Sceletium Tortuosum From Two Provinces in South Africa. Phytochemistry. 2018;152:191-203. PubMed PMID: 29783186.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - 1H-NMR and UPLC-MS metabolomics: Functional tools for exploring chemotypic variation in Sceletium tortuosum from two provinces in South Africa. AU - Zhao,Jianping, AU - Khan,Ikhlas A, AU - Combrinck,Sandra, AU - Sandasi,Maxleene, AU - Chen,Weiyang, AU - Viljoen,Alvaro M, Y1 - 2018/05/21/ PY - 2018/01/20/received PY - 2018/03/28/revised PY - 2018/03/31/accepted PY - 2018/5/22/pubmed PY - 2018/7/28/medline PY - 2018/5/22/entrez KW - Aizoaceae KW - Alkaloids KW - Alkylamines KW - Chemotypic variation KW - Metabolomics KW - NMR KW - Pinitol KW - Sceletium tortuosum KW - UPLC-MS SP - 191 EP - 203 JF - Phytochemistry JO - Phytochemistry VL - 152 N2 - Sceletium tortuosum (Aizoaceae) is widely recognised for the treatment of stress, anxiety and depression, as well as for obsessive compulsive disorders. A comprehensive intraspecies chemotypic variation study, using samples harvested from two distinct regions of South Africa, was done using both proton nuclear magnetic resonance (1H-NMR) spectroscopy of methanol extracts (N = 145) and ultra performance liquid chromatography-mass spectrometry (UPLC-MS) of acid/base extracts (N = 289). Chemometric analysis of the 1H-NMR data indicated two main clusters that were region-specific (Northern Cape and Western Cape provinces). Two dimensional (2D) NMR was used to identify analytes that contributed to the clustering as revealed by the S-plot. The sceletium alkaloids, pinitol and two alkylamines, herein reported for the first time from S. tortuosum, were identified as markers that distinguished the two groups. Relative quantification of the marker analytes conducted by qNMR indicated that samples from the Northern Cape generally contained higher concentrations of all the markers than samples from the Western Cape. Quantitative analysis of the four mesembrine alkaloids using a validated UPLC-photo diode array (PDA) detection method confirmed the results of qNMR with regard to the total alkaloid concentrations. Samples from the Northern Cape Province were found to contain, on average, very high total alkaloids, ranging from 4938.0 to 9376.8 mg/kg dry w. Regarding the Western Cape samples, the total yields of the four mesembrine alkaloids were substantially lower (averages 16.4-4143.2 mg/kg). Hierarchical cluster analysis of the UPLC-MS data, based on the alkaloid chemistry, revealed three branches, with one branch comprising samples primarily from the Northern Cape that seemed somewhat chemically conserved, while the other two branches represented mainly samples from the Western Cape. The construction of an orthogonal projections to latent structures-discriminant analysis model and subsequent loadings plot, allowed alkaloid markers to be identified for each cluster. The diverse sceletium alkaloid chemistry of samples from the three clusters may facilitate the recognition of alkaloid profiles, rather than individual compounds, that exert targeted effects on various brain receptors involved in stress, anxiety or depression. SN - 1873-3700 UR - https://www.unboundmedicine.com/medline/citation/29783186/1H_NMR_and_UPLC_MS_metabolomics:_Functional_tools_for_exploring_chemotypic_variation_in_Sceletium_tortuosum_from_two_provinces_in_South_Africa_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0031-9422(18)30085-2 DB - PRIME DP - Unbound Medicine ER -