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dc.contributor.supervisor Wetmore, Stacey D.
dc.contributor.author Churchill, Cassandra D.M
dc.date.accessioned 2012-09-18T17:12:15Z
dc.date.available 2012-09-18T17:12:15Z
dc.date.issued 2011
dc.identifier.uri https://hdl.handle.net/10133/3117
dc.description xvi, 147 leaves : ill. (chiefly col.) ; 29 cm + 1 CD-ROM en_US
dc.description.abstract Using computational methods, the formation pathways and structures of four experimentally-observed DNA intrastrand cross-links are determined. These lesions originate from the uracil radical and are of particular importance due to their potential role in the activity of the 5-halouracils as radiosensitizing agents in anti-tumour treatments. The formation pathways are studied with density functional theory under conditions relevant to both UV and ionizing radiation. Results reveal these intrastrand cross-links are likely to form under therapeutic conditions and provide an explanation for their observed formation preferences. The structures of the cross-links in DNA are determined with molecular dynamics simulations to reveal the distortions these lesions induce to the helix. This has provided information about the potential biological implications of these lesions, where results indicate intrastrand cross-links are likely both mutagenic and cytotoxic. Therefore, these lesions may contribute to tumour cell death in the therapeutic use of halouracils. en_US
dc.language.iso en_US en_US
dc.publisher Lethbridge, Alta. : University of Lethbridge, Dept. of Chemistry and Biochemistry, c2011 en_US
dc.relation.ispartofseries Thesis (University of Lethbridge. Faculty of Arts and Science) en_US
dc.subject Uracil -- Research en_US
dc.subject Free radicals (Chemistry) -- Therapeutic use -- Research en_US
dc.subject DNA damage -- Research en_US
dc.subject Density functionals en_US
dc.subject Dissertations, Academic en_US
dc.title A computational investigation of the formation and structure of DNA intrastrand cross-links initiated by the uracil radical en_US
dc.type Thesis en_US
dc.publisher.faculty Arts and Science en_US
dc.publisher.department Department of Chemistry and Biochemistry en_US
dc.degree.level Masters


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