Electron interactions with analogous of DNA/RNA nucleobases: 3-hydroxytetrahydroFuran and α-Tetrahydrofurfuryl alcohol

Abstract

We report quantitative results for electron induced molecular processes for DNA/RNA nucleobase analogous bio-molecules, 3-hydroxytetrahydrofuran (C4H8O2, 3hTHF) and α-tetrahydrofurfuryl alcohol (C5H10O2, THFA), which are similar in structure and functional group to backbone of DNA and RNA. We have employed spherical complex optical potential (SCOP) formalism to compute total elastic (Qel) and inelastic (Qinel) cross sections and used Complex Scattering Potential-ionization contribution (CSP-ic) method to obtain total ionization (Qion) and summed total excitation (∑Qexc) cross sections. These results obtained for a wide energy range (10 eV - 5 keV) may serve as the input parameters in predicting damage in biomolecular systems induced by secondary electrons caused by primary ionization radiation. We have observed a correlation between maximum Qion and molecular polarizability volume (α), ionisation energy (IE) and number of valence electrons (Nv). This work includes an attempt to estimate ∑Qexc for these molecules in normal state.