Muftakhov, M. V.; Shchukin, P. V.; Khatymov, R. V. published the artcile< Thymidine and stavudine molecules in reactions with low-energy electrons>, Computed Properties of 112-63-0, the main research area is thymidine stavudine fragmentation reaction mechanism PES radiosensitizer.
The neg. ion formation and fragmentation processes in thymidine and stavudine were studied by means of resonant electron capture mass spectrometry in the electron energy range 0-14 eV. Stavudine is a nucleoside analog of thymidine, that differs from the latter by the presence of double bond in the deoxyribose moiety. In the energy range below 5 eV transient neg. ions have been found to arise via shape resonances resulting in electron attachment into the empty π*-orbitals. The main fragmentation channels for mol. ions are the H-atom loss and N-glycosidic bond cleavage between sugar and a nucleobase moieties. The dissociative electron attachment cross sections for the fragment neg. ions were measured. The structures for some observed anions and neutral counterparts were suggested basing on the thermochem. approach for dissociative reactions energy balance under the support of quantum chem. calculations The processes of ion formation in thymidine were found to be similar to those revealed previously for deoxyuridine nucleoside. In contrast, very strong dissociative channel was found for stavudine yielding [M-R]- ions (where R is a sugar moiety) in the energy range < 3 eV. The efficient fragmentation found for stavudine in the low energy electron attachment reactions may have implications for the design of nucleoside radiosensitizers for cancer therapy. Radiation Physics and Chemistry published new progress about Bond energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.
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