On the relative role of the physical mechanisms on complex biodamage induced by carbon irradiation

TL;DR

This study combines quantum mechanical calculations and Monte Carlo simulations to analyze how carbon ion radiation causes complex biological damage, revealing ionization as the dominant damaging process with minimal DEA contribution.

Contribution

It provides the first detailed quantum-mechanical and simulation-based analysis of energy transfer and damage clustering in biological tissues caused by carbon ions, highlighting ionization's primary role.

Findings

Ionization is the main contributor to complex biodamage.

DEA plays a minor role in damaging event clusters.

Simulations accurately predict damage patterns across energy ranges.

Abstract

The effective use of swift ion beams in cancer treatment (known as hadrontherapy) as well as an appropriate protection in manned space missions rely on the accurate understanding of energy delivery to cells damaging their genetic information. The key ingredient characterizing the response of a medium to the perturbation induced by charged particles is its electronic excitation spectrum. By using linear response time-dependent density functional theory, we obtain the energy and momentum transfer excitation spectrum (the energy-loss function, ELF) of liquid water (main constituent of biological tissues), in excellent agreement with experimental data. The inelastic scattering cross sections obtained from this ELF, together with the elastic scattering cross sections derived considering the condensed phase nature of the medium, are used to perform accurate Monte Carlo simulations of the energy deposited by swift carbon ions in liquid water and carried away by the generated secondary electrons producing inelastic events (ionization, excitation, and dissociation electron attachment, DEA), strongly correlated with cellular death, which are scored in sensitive volumes having the size of two DNA convolutions. The sizes of clusters of damaging events for a wide range of carbon ion energies, from those relevant to hadrontherapy up to cosmic radiation, predict with unprecedented statistical accuracy the nature and relative magnitude of the main inelastic processes contributing to radiation biodamage, confirming that ionization accounts for the vast majority of complex damage. DEA, typically regarded as a very relevant biodamage mechanism, surprisingly plays a minor role in carbon-ion induced clusters of harmful events.