Electron interaction with DNA constituents in aqueous phase.

Area of Science:

• * Physical chemistry and biophysics.
• * Radiation chemistry and chemical physics.

Background:

• * Understanding electron interactions with biomolecules in aqueous environments is crucial for studying molecular processes and DNA damage.
• * Previous studies often focused on gas-phase or different environments, necessitating data for aqueous DNA constituents.

Purpose of the Study:

• * To compute key quantities related to electron interactions with DNA constituents in an aqueous phase.
• * To provide data useful for DNA damage assessment by calculating inelastic mean free path (IMFP), mass stopping power (MSP), and absorbed dose (D).

Main Methods:

• * Modified complex optical potential formalism to incorporate band gap energies.
• * Calculated inelastic cross sections using the modified formalism.
• * Estimated IMFP, MSP, and absorbed dose (D) for aqueous DNA constituents (Adenine, Cytosine, Guanine, Thymine, Uracil) from ionization threshold to 5000 eV.

Main Results:

• * Reported IMFP, MSP, and absorbed dose (D) for aqueous DNA constituents for the first time.
• * Observed good agreement for IMFP and MSP when compared with available gas-phase and other phase data.
• * Explored the calculated absorbed dose (D) in relation to water's dose absorption properties.

Conclusions:

• * The study successfully computed essential electron interaction parameters for aqueous DNA constituents.
• * The findings provide a foundational dataset for DNA damage assessment in biological systems.
• * This work highlights the importance of considering the aqueous phase for accurate modeling of radiation effects on DNA.