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      Investigation of the Geographical Environment Impact on the Chemical Components of Peganum harmala L. through a Combined Analytical Method

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          Abstract

          By implementing NMR, inductively coupled plasma-atomic emission spectrometry (ICP-AES), and the UV–vis spectroscopic techniques, metabolites, mineral elements, and antioxidant activities (DPPH) of Peganum harmala L. samples from Manasi and Fuhai of Xinjiang were studied in this research to investigate the geographical environment impact at the molecular level. First of all, partial least squares discriminant analysis was conducted to explore differential endogenous metabolites. A total of 18 metabolites were identified, and 14 mineral element contents were calculated quantitatively, which displayed diverse changing trends from these two origins. Valine, succinic acid, betaine, sucrose, and vasicine exhibited significant differences between these two groups as well as mineral nutrient profiles (Mg, Cu, N, K, Na, P, Zn, C) and DPPH antioxidant activities (EC 50). The obvious different characteristics of chemical components and antioxidant activities in these two groups were further verified by heat map cluster analysis. Pearson correlation analysis also revealed the remarkable relationship of chemical components and antioxidant activities, which are strongly associated with the regional environment. This study showed that the combination of methodologies proposed will be highly useful in evaluating the environmental variation and diversity in terrestrial ecosystems.

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          HMDB: the Human Metabolome Database

          The Human Metabolome Database (HMDB) is currently the most complete and comprehensive curated collection of human metabolite and human metabolism data in the world. It contains records for more than 2180 endogenous metabolites with information gathered from thousands of books, journal articles and electronic databases. In addition to its comprehensive literature-derived data, the HMDB also contains an extensive collection of experimental metabolite concentration data compiled from hundreds of mass spectra (MS) and Nuclear Magnetic resonance (NMR) metabolomic analyses performed on urine, blood and cerebrospinal fluid samples. This is further supplemented with thousands of NMR and MS spectra collected on purified, reference metabolites. Each metabolite entry in the HMDB contains an average of 90 separate data fields including a comprehensive compound description, names and synonyms, structural information, physico-chemical data, reference NMR and MS spectra, biofluid concentrations, disease associations, pathway information, enzyme data, gene sequence data, SNP and mutation data as well as extensive links to images, references and other public databases. Extensive searching, relational querying and data browsing tools are also provided. The HMDB is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, nutritionists and members of the metabolomics community. The HMDB is available at:
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            Understanding oxidative stress and antioxidant functions to enhance photosynthesis.

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              Partial least squares for discrimination

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                Author and article information

                Journal
                ACS Omega
                ACS Omega
                ao
                acsodf
                ACS Omega
                American Chemical Society
                2470-1343
                27 September 2021
                05 October 2021
                : 6
                : 39
                : 25497-25505
                Affiliations
                []College of Chemistry and Chemical Engineering, Xinjiang Normal University , Urumqi 830054, China
                []School of Chemical Engineering and Technology, Tianjin University , Tianjin 300350, China
                [§ ]Analytic and Testing Center, Beijing Normal University , Beijing 100875, China
                []Scientific Research Department, Xinjiang Normal University , Urumqi 830054, China
                Author notes
                [* ]Email: 146155@ 123456tju.edu.cn . Tel: 18920737062.
                Author information
                https://orcid.org/0000-0003-4955-6133
                Article
                10.1021/acsomega.1c03420
                8495862
                34632207
                a8e313d7-e413-4cb7-9c2c-518d1080d70e
                © 2021 The Authors. Published by American Chemical Society

                Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works ( https://creativecommons.org/licenses/by-nc-nd/4.0/).

                History
                : 03 July 2021
                : 14 September 2021
                Funding
                Funded by: Natural Science Foundation of Xinjiang Province, doi 10.13039/100009110;
                Award ID: 2020D01A78
                Funded by: Xinjiang Characteristic Medicine Edible Plant Resource Chemistry Laboratory Opening Project, doi NA;
                Award ID: KSUZDSYS202004
                Funded by: Xinjiang Normal University, doi 10.13039/501100008829;
                Award ID: XJNUBS1901
                Categories
                Article
                Custom metadata
                ao1c03420
                ao1c03420

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