Electron interaction with DNA constituents in aqueous phase

• Published in: Chemphyschem Vol. 25; no. 7; pp. e202300916 - n/a
• Main Authors: Parikh, Smruti, Limbachiya, Chetan
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 02.04.2024
• Subjects: absorbed dose; Adenine; aqueous DNA compounds; Aqueous solutions; Biomolecules; Constituents; Damage assessment; Electrons; Inelastic mean free path; mass stopping power; Stopping power; Thymine; Uracil; aqueous DNA compounds; Inelastic mean free path; absorbed dose; mass stopping power
• ISSN: 1439-4235; 1439-7641
• DOI: 10.1002/cphc.202300916

Electron driven chemistry of biomolecules in aqueous phase presents the realistic picture to study molecular processes. In this study we have investigated the interactions of electrons with the DNA constituents in their aqueous phase in order to obtain the quantities useful for DNA damage assessment. We have computed the inelastic mean free path (IMFP), mass stopping power (MSP) and absorbed dose (D) for the DNA constituents (Adenine, Cytosine, Guanine, Thymine and Uracil) in the aqueous medium from ionisation threshold to 5000 eV. We have modified complex optical potential formalism to include band gap of the systems to calculate inelastic cross sections which are used to estimate these entities. This is the maiden attempt to report these important quantities for the aqueous DNA constituents. We have compared our results with available data in gas and other phase and have observed explicable accord for IMFP and MSP. Since these are the first results of absorbed dose (D) for these compounds, we have explored present results vis‐a‐vis dose absorption in water. The front cover picture illustrates electron interaction with DNA/RNA constituents, adenine, cytosine, guanine, thymine and uracil in aqueous phase. Biomolecules in aqueous phase present a realistic condition. The computed quantities, inelastic mean free path, mass stopping power and absorbed dose are useful to assess/model the radiation damage to DNA/RNA.