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Ballarini, F.* ; Biaggi, M.* ; Merzagora, M.* ; Ottolenghi, A.* ; Dingfelder, M. ; Friedland, W. ; Jacob, P. ; Paretzke, H.G.

Stochastic aspects and uncertainties in the prechemical and chemical stages of electron tracks in liquid water: A quantitative analysis based on Monte Carlo simulations.

Radiat. Environ. Biophys. 39, 179-188 (2000)
DOI PMC
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
A new physical module for the biophysical simulation code PARTRAC has recently been developed, based on newly derived electron inelastic-scattering cross-sections in liquid water. In the present work, two modules of PARTRAC describing the production, diffusion and interaction of chemical species were developed with the specific purpose of quantifying the role of the uncertainties in the parameters controlling the early stages of liquid water radiolysis. A set of values for such parameters was identified, and time-dependent yields and frequency distributions of chemical species produced by electrons of different energies were calculated. The calculated yields were in good agreement with available data and simulations, thus confirming the reliability of the code. As the primary-electron energy decreases down to 1 keV, the *OH decay kinetics were found to get faster, reflecting variations in the spatial distribution of the initial energy depositions. In agreement with analogous works, an opposite trend was found for energies of a few hundred eV, due to the very small number of species involved. The spreading effects shown at long times by *OH frequency distributions following 1 keV irradiation were found to be essentially due to stochastic aspects of the chemical stage, whereas for 1 MeV tracks the physical and pre-chemical stages also were found to play a significant role. Relevant differences in the calculated e(aq) -yields were found by coupling the physics of PARTRAC with descriptions of the pre-chemical and chemical stages adopted in different models. This indicates a strict interrelation of the various stages, and thus a strong dependence of the parameter values on the assumptions made for the preceding and subsequent stages of the process. Although equally acceptable results can be obtained starting from different assumptions, it is necessary to keep control of such uncertainties, since they can significantly influence the modeling of radical attack on DNA and, more generally, radiobiological damage estimation. This study confirms the need for new, independently derived data on specific steps of water radiolysis, to be included in comprehensive biophysical simulation codes.
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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Sprache englisch
Veröffentlichungsjahr 2000
HGF-Berichtsjahr 0
ISSN (print) / ISBN 0301-634X
e-ISSN 1432-2099
Zeitschrift Radiation and Environmental Biophysics
Quellenangaben Band: 39, Heft: 3, Seiten: 179-188 Artikelnummer: , Supplement: ,
Verlag Springer
Begutachtungsstatus Peer reviewed
Institut(e) Institute of Radiation Protection (ISS)
POF Topic(s)
30504 - Mechanisms of Genetic and Environmental Influences on Health and Disease
Forschungsfeld(er)
Radiation Sciences
PSP-Element(e) G-501100-004
PubMed ID 11095148
DOI 10.1007/s004110000060
Erfassungsdatum 2000-12-31
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