مورد إلكتروني
Systematic analysis of the fragmentation of natural products by tandem mass spectrometry and computational method
| العنوان: | Systematic analysis of the fragmentation of natural products by tandem mass spectrometry and computational method |
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| المؤلفون: | JIANG, XIAOTONG (CANDY) |
| بيانات النشر: | University of Bristol 2023 |
| نوع الوثيقة: | Electronic Resource |
| مستخلص: | This thesis consists of the studies of three types of natural products - a-amino acids, flavonoids, and polyether ionophores. A natural product is defined as a natural compound or substance produced in nature by living organisms. A better understanding of natural products from an analytical approach is crucial to many scientific disciplines. This research focused on the systematic analysis of the fragmentation of natural products by mass spectrometry and computational methods in order to develop a robust methodology that can be applied to a broader range of natural products and other research areas. The first part of this research used tandem mass spectrometry to systematically analyse the fragmentation of all 20 proteinogenic a-amino acids in both positive and negative ionisation modes. The combination of computational modelling with the correlation between side chain functionalities and fragmentation pathways is compared and summarised. Isomers such as leucine and isoleucine are differentiated, and the differences are rationalised using the developed methodology. The second part tested and improved the analytical methodology in the analysis of flavonoids. More than 30 flavonoids from six classes were investigated. Isomeric flavonoids were differentiated. Diagnostic product ions from the positive ion mode collision induced dissociation spectra were identified. Polyether ionophore antibiotics were selected as the final part of the research due to their structural complexity, importance in pharmaceutical development, and tendencies to isomerise in solution. The unique properties of the polyethers provide an optimal ground to test the robustness of the methodology developed in the studies of the smaller molecules. By combining high-resolution ion mobility mass spectrometry data, tandem mass spectrometry, and computational methods, differentiation of isomers of salinomycin and narasin was achieved. The addition of the study of metal ca |
| مصطلحات الفهرس: | Mass Spectrometry, Natural Products, computational modelling, antibiotics, Analytical chemistry, Doctor of Philosophy (PhD) |
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| الإتاحة: | Open access content. Open access content |
| ملاحظة: | English |
| أرقام أخرى: | BUB oai:research-information.bris.ac.uk:studenttheses/6184a22d-2a5e-4b98-ae4d-94656bc73822 https://research-information.bris.ac.uk/en/studentTheses/6184a22d-2a5e-4b98-ae4d-94656bc73822Test 1405291369 |
| المصدر المساهم: | UNIVERSITY OF BRISTOL From OAIster®, provided by the OCLC Cooperative. |
| رقم الانضمام: | edsoai.on1405291369 |
| قاعدة البيانات: | OAIster |
| الوصف غير متاح. |