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Multi-platform metabolomics approach to evaluate the authenticity of herbal medicine

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dc.contributor.advisor박정일-
dc.contributor.author트롱휴이-
dc.date.accessioned2017-07-13T16:39:32Z-
dc.date.available2017-07-13T16:39:32Z-
dc.date.issued2017-02-
dc.identifier.other000000140662-
dc.identifier.urihttps://hdl.handle.net/10371/120147-
dc.description학위논문 (박사)-- 서울대학교 대학원 : 약학과, 2017. 2. 박정일.-
dc.description.abstractHerbal medicine has been traditionally and historically used worldwide. However, along with the increase usage of the herbal medicine, its market also has been suffered from the practice of adulteration, either genuinely by lack of experience or intentionally for business gains. Therefore, it is essential to develop an approach that could effectively ascertain the correct identification of the ingredients used in the herbal remedies. Here in this study, we illustrated the application of a multi-platform metabolomics approach in assisting the establishment of a better quality control method for herbal medicine. We first illustrated the capacity of UPLC-QTOFMS based metabolomics to discriminate well 4 common Panax species in Panax genus, namely Panax ginseng, Panax vietnamensis, Panax notoginseng, Panax quinquefolius. Next we further examine whether 1H-NMR based metabolomics approach could evaluate the same Panax ginseng samples but from dissimilar locations. The results showed that not only it could well differentiate those samples, but also it could point out the possible mixing proportion in case if those samples were mixed together. Additionally, utilizing those data derived from metabolomics approach, we also discussed the possibility in connecting metabolite variation to that of phylogenetic, as for UPLC-QTOFMS data and in building a model effectively assessing the mixing proportion of intentional admixtures, as for 1H-NMR data. Consequently, we believe that the ease and transferability of our approach as well as its applicability to other products could contribute to establishing a safer market and greater consumer confidence by preventing herbal medicine adulteration.-
dc.description.tableofcontentsPart I UPLC-QTOFMS based metabolomics followed by stepwise partial least squar e-discriminant analysis (PLS-DA) explore the possible relation between the variations in secondary metabolites and the phylogenetic divergences of the genus Panax 1
1. Introduction 1
2. Materials and methods 3
2.1. Chemicals 3
2.2. Plant material 4
2.3. Sample preparation 4
2.4. Data acquisition parameters 5
2.5. Multivariate statistical analysis 5
3. Results and discussion 6
3.1. Ginsenoside identification in four species 6
3.2. Method validation 20
3.3. Discriminating the four species with common metabolomic approaches 21
3.4. Construction of phylogenetic trees 22
3.5. Stepwise PLS-DA for revealing markers of phylogenetic divergences 26
3.6. Distribution of secondary metabolites from the phylogenetic point of view 28
4. Conclusion 29
Part II A 1H-NMR-based metabolomics approach to evaluate the geographical authenticity of Panax ginseng and its application in building a model effectively assessing the mixing proportion of intentional admixtures. 31
1. Introduction 31
2. Experimental 34
2.1. Solvents and Chemicals 34
2.2. Sample collection and preparation 34
2.3. DNA extraction and Polymerase Chain Reaction (PCR) analysis 35
2.4. Metabolite extraction 37
2.5. NMR spectroscopy 37
2.6. NMR data processing and analysis 38
3. Results and discussion 38
3.1. Identification of the species using DNA-based technique 38
3.2. 1H-NMR spectrum inspection and metabolite identification 42
3.3. Multivariate statistical analysis 46
3.4. Determination of the potential metabolite markers 48
3.5. Validation of the model by prediction 50
3.6. Setting up a statistical procedure for assessing the mixing ratio of blended samples from dissimilar origins 52
4. Conclusion 57
References 57
Publication 67
Index 68
1. Metabolomics approach 68
2. Metabolomics analytical methods 69
3. Multivariate statistical analysis 70
4. Statistical Platforms 71
5. Metabolome online library 72
6. Framework for processing metabolomics profile data 73
6.1. Raw data file format support 74
6.2. Data visualization 74
7. Nuclear Magnetic Resonance (NMR) software 75
8. 1H-NMR metabolomics using MestReNova 76
국문초록 83
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dc.formatapplication/pdf-
dc.format.extent10070861 bytes-
dc.format.mediumapplication/pdf-
dc.language.isoen-
dc.publisher서울대학교 대학원-
dc.subjectmetabolomics-
dc.subjectginseng-
dc.subjectauthentication-
dc.subjectphylogenetic-
dc.subjectQTOF-MS-
dc.subject1H-NMR-
dc.subject.ddc615-
dc.titleMulti-platform metabolomics approach to evaluate the authenticity of herbal medicine-
dc.typeThesis-
dc.contributor.AlternativeAuthorNguyen Truong Huy-
dc.description.degreeDoctor-
dc.citation.pages90-
dc.contributor.affiliation약학대학 약학과-
dc.date.awarded2017-02-
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