Processes of formation of positive ions at the electron - thymine molecule interactions
DOI:
https://doi.org/10.17721/1812-5409.2019/2.14Abstract
The work is aimed to solve the key problems of modern biophysics related to the study of fundamental mechanisms of interaction of ionizing radiation on living cells and stability of biological systems to its influence. The obtained data and their generalizations create a basis for understanding the interaction mechanisms and stability of biological systems to its influence. Investigation is aimed on the obtaining the new priority data about the characteristics of the life important biological molecules, establishing the mechanisms and features of dissociative capture, excitation and ionization under the slow electrons; the study of the influence of intermolecular interactions on these processes and solution of some applications concerning the definition of physical stability of biomolecules in different states of aggregation. The AM1 method that was used in research is a semi-empirical method for the quantum calculation of molecular electronic structure in computational chemistry. It is based on the neglect of differential diatomic overlap integral approximation and investigates the processes of formation of positive ions, which are formed during the interaction of thymine molecules with slow electrons. Fragmentation model of thymine molecules under electron ipmpact is proposed. Six most likely bond breaks in the cyclic structure of thymine molecular ion are identified. The obtained results are in good agreement with experimental data.
Key words: thymin, positive ion, electron, fragmentation.
Pages of the article in the issue: 104 - 107
Language of the article: Ukrainian
References
COBUT, V. et al (1998) Мonte Carlo simulation of fast electron and proton tracks in liquid water. I. physical and physicochemical aspects. Radiat. Phys. Chem. 51. pp. 229-243.
SHAFRANYOSH, І.І., SUKHOVІYA, М.І., SHAFRANYOSH, М.І. & SHІМON, L.L. (2008) Formation of positive and negative ions of thymine molecules under the action of slow electrons. Technical Physics. 53(12). pp. 1536-1540.
SHAFRANYOSH, М.І., SUKHOVІYA, М.І., SHІМON, L.L & SHAFRANYOSH, І.І. (2008) Negative ions resonant formations of uracil molecules. Scientific Herald of Uzhhorod University.Series Physics. 23. pp. 85-90.
SHAFRANYOSH, М.І., SUKHOVІYA, М.І., SHІМON, L.L & SHAFRANYOSH, І.І. (2005) Absolute cross sections for the electron-impact formation of cytosine anions. Technical physics letters. 31(12). pp. 1071-1073.
DЕWAR, М. S., ZOЕBІSH, Е. G., HЕADLY, Е. Е. & STЕWART, J. J. (1985) AМ1: A general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 107(13). pp. 3902-3909.
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