Modelling dissociative dynamics of biosystems after metastable electron attachment: the sugar backbones
CASPUR, Supercomputing Consortium, via dei Tizii 6, 00185 Roma, Italy
2 Department of Chemistry and CNISM, University of Rome “La Sapienza”, P.le Aldo Moro 5, 00185 Roma, Italy
Corresponding author: a firstname.lastname@example.org
Published online: 30 May 2008
The damage induced by radiation in cells is currently described via low-energy attachment of electrons produced in the biological medium by the primary radiation. Therefore the corresponding metastable anionic states are obtained in this work from multichannel quantum calculations which, in the present study, involve β-D-ribose and β-D-deoxyribose molecular fragments from RNA and DNA structures. The scattering attributes associated with the resonant processes are derived from the computed total, elastic cross sections by means of a high-level Breit-Wigner analysis of the calculated phase shifts. The present procedure is shown to provide a powerful tool for extracting the resonance parameters from the scattering data even in the presence of broad, overlapping resonances which typically occur in the resonant dynamics of complicated biosystems after electron attachment effects.
PACS: 34.80.Bm – Elastic scattering of electrons by atoms and molecules / 34.80.Ht – Dissociation and dissociative attachment by electron impact / 36.40.Qv – Stability and fragmentation of clusters
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008