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Radiosensitizing derivatives of pyrimidine or purine nucleobases: Mass spectrometry and quantum chemical studies on low-energy electron interactions in gas phase, water clusters and solutions
The results of the current studies will lead to the in-depth understanding of relation between the efficiency of DEA in the gas phase and the effectiveness of potential radiosensitizer under physiological environment. It is difficult to overestimate access to such knowledge in the context of new, capable radiosensitizers. The most thorough studied radiosensitizing MNuc, 5-bromo-2’-deoxyuriudine, has not been used in the clinic so far. One of the reason for that could be insufficient understanding of the processes responsible for radiosensitizing properties of MNucs. Explaining the details of DEA, the influence of water in particular, should allow for rational designing of radiosensitizers. The identification of resonances leading to DEA in the gas phase as well as optimization of activation barriers and thermodynamic stimuli of degradation channels open in water will hopefully result in super-radiosensitizers which ultimately could be employed in the clinic.
Details
- Financial Program Name:
- CEUS
- Organization:
- Narodowe Centrum Nauki (NCN) (National Science Centre)
- Agreement:
- UMO-2020/02/Y/ST4/00110 z dnia 2021-07-12
- Realisation period:
- 2021-07-12 - 2025-07-11
- Research team leader:
- dr hab. inż. Sebastian Demkowicz
- Realised in:
- Department of Organic Chemistry
- External institutions
participating in project: -
- Uniwersytet Gdański (Poland)
- Project's value:
- 1 606 215.00 PLN
- Request type:
- International Research Programmes
- Domestic:
- International project
- Verified by:
- Gdańsk University of Technology
Papers associated with that project
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Catalog Projects
Year 2023
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublicationWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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