On the quantum description of irradiation dynamics in systems of biological relevance

Phuong Mai Dinh (1) , L. Bouässel Du Bourg (2) , Cong-Zhang Gao (1) , B. Gu (3) , Lionel Lacombe (1) , M. Mcallister (3) , M. Smyth (3) , G. Tribello (3) , Marc Vincendon (1, 4) , J. Kohanoff (3) , Paul-Gerhard Reinhard (5) , L. Sanche (6) , Eric Suraud (1, 4)

1 AGR-LPT - Agrégats (LPT)
2 ISCR - Institut des Sciences Chimiques de Rennes
3 QUB - Queen's University [Belfast]
4 LPT - Laboratoire de Physique Théorique
5 Institut für Theoretische Physik
6 UdeS - Département de Médecine Nucléaire et Radiobiologie [Sherbrooke]

The two main products of ionizing radiation in biological tissues are electrons and radicals. The numerous secondary electrons are generated by ionisation in the molecules in the vicinity of DNA and are produced with a mean energy about 10 eV. These low-energy electrons can lead to DNA strand breaks via dissociative electron attachment and other mechanisms. The modelling of these phenomena requires, on the one hand, an explicit quantum description of the electrons of the target molecule (typically, a subunit of a DNA strand), and on the other hand, a realistic account of theDNAenvironment. This chapter reviews theoretical and computational approaches that have allowed us to study electron dynamics (excitation, ionization, transport and localization) in systems of biological interest. © Springer International Publishing Switzerland 2017.

Domaines: Chimie

Phuong Mai Dinh, L. Bouässel Du Bourg, Cong-Zhang Gao, B. Gu, Lionel Lacombe, et al.. On the quantum description of irradiation dynamics in systems of biological relevance. On the quantum description of irradiation dynamics in systems of biological relevance, Springer International Publishing, pp.277-309, 2017, 9783319430300; 9783319430287. ⟨10.1007/978-3-319-43030-0_8⟩. ⟨hal-01619413⟩