Electron elastic scattering from biomolecular targets: 1,3-dihydroxytetrahydrofuran, deoxyribose, THFA monophosphate and deoxyribose monophosphate

We numerically calculated doubly differential and integrated cross sections for electron elastic scattering on molecules composing the deoxyribonucleic acid (DNA), namely, the sugar 2-deoxyribose (C5H10O4) and its analogue 1,3-dihydroxytetrahydrofuran (C4H8O3) as well as molecules containing the pho...

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Veröffentlicht in:International journal of mass spectrometry 2023-04, Vol.486, p.117022, Article 117022
Hauptverfasser: Tayeb, B. Si, Mokrani, S., Aouchiche, H., Champion, C.
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Sprache:eng
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Zusammenfassung:We numerically calculated doubly differential and integrated cross sections for electron elastic scattering on molecules composing the deoxyribonucleic acid (DNA), namely, the sugar 2-deoxyribose (C5H10O4) and its analogue 1,3-dihydroxytetrahydrofuran (C4H8O3) as well as molecules containing the phosphate group such as deoxyribose monophosphate (C5H11O7P) and THFA monophosphate (C5H11O5P). The model of independent atoms (IAM), taking into account the different potentials at short and long ranges as well as the effects of multiple-scattering terms, is here used. Then doubly differential cross sections are calculated for various impact energies (50, 80, 100, 300, 500, 800 and 1000 eV) and the integrated ones for energy ranging from 20 eV to 100 keV. The obtained results are compared and discussed with the available data for molecules similar to deoxyribose such as THF and THFA. Good agreements are generally found particularly in shape, while small discrepancies are observed in terms of amplitude that may be explained by the effect of the potentials used in the current approach. [Display omitted] •DCSs and ICSs of electrons scattered by biomolecules constituting DNA are provided using corrected-IAM method.•The short-range and long-range potential effects on DCSs and ICSs are highlighted•DCSs and ICSs obtained (20 eV- 100 keV) are in good agreement with available results.
ISSN:1387-3806
1873-2798
DOI:10.1016/j.ijms.2023.117022