Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum
Abstract 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 th...
| Main Authors: | , , , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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BMC
2023-01-01
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| Series: | Chinese Medicine |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13020-022-00702-8 |
| _version_ | 1797952367210004480 |
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| author | Qian Wang Wenjing Liu Bo Peng Xingcheng Gong Jingjing Shi Ke Zhang Bo Li Pengfei Tu Jun Li Jun Jiang Yunfang Zhao Yuelin Song |
| author_facet | Qian Wang Wenjing Liu Bo Peng Xingcheng Gong Jingjing Shi Ke Zhang Bo Li Pengfei Tu Jun Li Jun Jiang Yunfang Zhao Yuelin Song |
| author_sort | Qian Wang |
| collection | DOAJ |
| description | Abstract 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 $$^1$$ 1 and MS $$^2$$ 2 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 $$^1$$ 1 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. |
| first_indexed | 2024-04-10T22:45:13Z |
| format | Article |
| id | doaj.art-b021cb74fc1d4df6a7ad36f9660704e5 |
| institution | Directory Open Access Journal |
| issn | 1749-8546 |
| language | English |
| last_indexed | 2024-04-10T22:45:13Z |
| publishDate | 2023-01-01 |
| publisher | BMC |
| record_format | Article |
| series | Chinese Medicine |
| spelling | doaj.art-b021cb74fc1d4df6a7ad36f9660704e52023-01-15T12:21:28ZengBMCChinese Medicine1749-85462023-01-0118111210.1186/s13020-022-00702-8Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidumQian Wang0Wenjing Liu1Bo Peng2Xingcheng Gong3Jingjing Shi4Ke Zhang5Bo Li6Pengfei Tu7Jun Li8Jun Jiang9Yunfang Zhao10Yuelin Song11Modern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineAmway (China) Botanical Research CenterModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineAmway (Shanghai) Innovation & Science Co., Ltd.Modern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineShandong Institute for Food and Drug ControlModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineModern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese MedicineAbstract 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 $$^1$$ 1 and MS $$^2$$ 2 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 $$^1$$ 1 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.https://doi.org/10.1186/s13020-022-00702-8Ganoderma lucidumTwo-dimensional code“Coding-decoding” workflowChemical profileHerbal medicine recognition |
| spellingShingle | Qian Wang Wenjing Liu Bo Peng Xingcheng Gong Jingjing Shi Ke Zhang Bo Li Pengfei Tu Jun Li Jun Jiang Yunfang Zhao Yuelin Song Two-dimensional code enables visibly mapping herbal medicine chemome: an application in Ganoderma lucidum Chinese Medicine Ganoderma lucidum Two-dimensional code “Coding-decoding” workflow Chemical profile Herbal medicine recognition |
| 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 | Ganoderma lucidum Two-dimensional code “Coding-decoding” workflow Chemical profile Herbal medicine recognition |
| url | https://doi.org/10.1186/s13020-022-00702-8 |
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