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Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum
BACKGROUND: Chemical profile provides the pronounced evidence for herbal medicine (HM) authentication; however, the chemome is extremely sophisticated. Fortunately, two-dimensional (2D) code, as a quick response means, is conceptually able to store abundant information, exactly fulfilling the chemic...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9837956/ https://www.ncbi.nlm.nih.gov/pubmed/36635742 http://dx.doi.org/10.1186/s13020-022-00702-8 |
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author | Wang, Qian Liu, Wenjing Peng, Bo Gong, Xingcheng Shi, Jingjing Zhang, Ke Li, Bo Tu, Pengfei Li, Jun Jiang, Jun Zhao, Yunfang Song, Yuelin |
author_facet | Wang, Qian Liu, Wenjing Peng, Bo Gong, Xingcheng Shi, Jingjing Zhang, Ke Li, Bo Tu, Pengfei Li, Jun Jiang, Jun Zhao, Yunfang Song, Yuelin |
author_sort | Wang, Qian |
collection | PubMed |
description | BACKGROUND: Chemical profile provides the pronounced evidence for herbal medicine (HM) authentication; however, the chemome is extremely sophisticated. Fortunately, two-dimensional (2D) code, as a quick response means, is conceptually able to store abundant information, exactly fulfilling the chemical information storage demands of HMs. METHODS: We here attempted to denote both MS[Formula: see text] and MS[Formula: see text] dataset of HM with a single 2D-code chart. Measurement of Ganoderma lucidum that is one of the most famous HMs with LC–MS/MS was employed to illustrate the “coding-decoding” workflow for the conversion amongst MS/MS dataset, 2D-code, and chemical profile, and to evaluate the applicability as well. After data acquisition, and m/z value of each deprotonated molecular signal was divided into integer and decimal portions, corresponding to x and y coordinates of 2D-plot, respectively. On the other side, m/z values of all its fragment ions were exactly assigned to serial x values sharing an identical y value being equal to the precursor ion. 2D-code was thereafter produced by plotting these defined dots at a 2D-chart. Regarding a given 2D-code map, the entire chart (x coordinate: 0–600; y coordinate: 0–600) was fragmented into two regions by the line of y=x. MS[Formula: see text] spectral signals always located below the line, whereas all fragment ions lay at the left zone. After extracting information from the edges of each square frame, m/z values of both precursor ion and fragment ions could be harvested and putatively deciphered to a compound through applying some empirical mass fragmentation rules. RESULTS: The entire code of Ganoderma lucidum fruit bodies therefore corresponded exactly to a compound set. The elution program, even the employment of direct infusion, couldn’t significantly impact the code, and dramatical differences occurred between different species and amongst different parts of Ganoderma lucidum as well. Not only ganoderic acid cluster but also certain primary metabolites served as the diagnostic compounds towards species differentiation. CONCLUSION: 2D-code might be a meaningful, practical visual way for rapid HM recognition because it is convenient to achieve the conversion amongst MS/MS dataset, 2D-barcode plot, and the chemome. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13020-022-00702-8. |
format | Online Article Text |
id | pubmed-9837956 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | BioMed Central |
record_format | MEDLINE/PubMed |
spelling | pubmed-98379562023-01-14 Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum Wang, Qian Liu, Wenjing Peng, Bo Gong, Xingcheng Shi, Jingjing Zhang, Ke Li, Bo Tu, Pengfei Li, Jun Jiang, Jun Zhao, Yunfang Song, Yuelin Chin Med Research BACKGROUND: Chemical profile provides the pronounced evidence for herbal medicine (HM) authentication; however, the chemome is extremely sophisticated. Fortunately, two-dimensional (2D) code, as a quick response means, is conceptually able to store abundant information, exactly fulfilling the chemical information storage demands of HMs. METHODS: We here attempted to denote both MS[Formula: see text] and MS[Formula: see text] dataset of HM with a single 2D-code chart. Measurement of Ganoderma lucidum that is one of the most famous HMs with LC–MS/MS was employed to illustrate the “coding-decoding” workflow for the conversion amongst MS/MS dataset, 2D-code, and chemical profile, and to evaluate the applicability as well. After data acquisition, and m/z value of each deprotonated molecular signal was divided into integer and decimal portions, corresponding to x and y coordinates of 2D-plot, respectively. On the other side, m/z values of all its fragment ions were exactly assigned to serial x values sharing an identical y value being equal to the precursor ion. 2D-code was thereafter produced by plotting these defined dots at a 2D-chart. Regarding a given 2D-code map, the entire chart (x coordinate: 0–600; y coordinate: 0–600) was fragmented into two regions by the line of y=x. MS[Formula: see text] spectral signals always located below the line, whereas all fragment ions lay at the left zone. After extracting information from the edges of each square frame, m/z values of both precursor ion and fragment ions could be harvested and putatively deciphered to a compound through applying some empirical mass fragmentation rules. RESULTS: The entire code of Ganoderma lucidum fruit bodies therefore corresponded exactly to a compound set. The elution program, even the employment of direct infusion, couldn’t significantly impact the code, and dramatical differences occurred between different species and amongst different parts of Ganoderma lucidum as well. Not only ganoderic acid cluster but also certain primary metabolites served as the diagnostic compounds towards species differentiation. CONCLUSION: 2D-code might be a meaningful, practical visual way for rapid HM recognition because it is convenient to achieve the conversion amongst MS/MS dataset, 2D-barcode plot, and the chemome. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13020-022-00702-8. BioMed Central 2023-01-12 /pmc/articles/PMC9837956/ /pubmed/36635742 http://dx.doi.org/10.1186/s13020-022-00702-8 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data. |
spellingShingle | Research Wang, Qian Liu, Wenjing Peng, Bo Gong, Xingcheng Shi, Jingjing Zhang, Ke Li, Bo Tu, Pengfei Li, Jun Jiang, Jun Zhao, Yunfang Song, Yuelin Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title | Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title_full | Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title_fullStr | Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title_full_unstemmed | Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title_short | Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum |
title_sort | two-dimensional code enables visibly mapping herbal medicine chemome: an application in ganoderma lucidum |
topic | Research |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9837956/ https://www.ncbi.nlm.nih.gov/pubmed/36635742 http://dx.doi.org/10.1186/s13020-022-00702-8 |
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