RT Journal Article
T1 Electron scattering from 1-Methyl-5-Nitroimidazole: cross-sections for modeling electron transport through potential radiosensitizers
A1 Lozano, Ana I.
A1 Alvarez, Lidia
A1 Garcia Abenza, Adrian
A1 Guerra, Carlos
A1 Kossoski, Fabris
A1 Rosado Vélez, Jaime
A1 Blanco Ramos, Francisco
A1 Oller, Juan Carlos
A1 Hasan, Mahmudul
A1 Centurion, Martin
A1 Weber, Thorsten
A1 Slaughter, Daniel S.
A1 Mootheril, Deepthy M.
A1 Dorn, Alexander
A1 Kumar, Sarvesh
A1 Limao Vieira, Paulo)
A1 Colmenares, Rafael
A1 Garcia, Gustavo
AB In this study, we present a complete set of electron scattering cross-sections from 1-Methyl-5-Nitroimidazole (1M5NI) molecules for impact energies ranging from 0.1 to 1000 eV. This information is relevant to evaluate the potential role of 1M5NI as a molecular radiosensitizers. The total electron scattering cross-sections (TCS) that we previously measured with a magnetically confined electron transmission apparatus were considered as the reference values for the present analysis. Elastic scattering cross-sections were calculated by means of two different schemes: The Schwinger multichannel (SMC) method for the lower energies (below 15 eV) and the independent atom model-based screening-corrected additivity rule with interferences (IAM-SCARI) for higher energies (above 15 eV). The latter was also applied to calculate the total ionization cross-sections, which were complemented with experimental values of the induced cationic fragmentation by electron impact. Double differential ionization cross-sections were measured with a reaction microscope multi-particle coincidence spectrometer. Using a momentum imaging spectrometer, direct measurements of the anion fragment yields and kinetic energies by the dissociative electron attachment are also presented. Cross-sections for the other inelastic channels were derived with a self-consistent procedure by sampling their values at a given energy to ensure that the sum of the cross-sections of all the scattering processes available at that energy coincides with the corresponding TCS. This cross-section data set is ready to be used for modelling electron-induced radiation damage at the molecular level to biologically relevant media containing 1M5NI as a potential radiosensitizer. Nonetheless, a proper evaluation of its radiosensitizing effects would require further radiobiological experiments.
PB MDPI
SN 1661-6596
YR 2023
FD 2023-07-29
LK https://hdl.handle.net/20.500.14352/113819
UL https://hdl.handle.net/20.500.14352/113819
LA eng
NO Lozano, A.I.; Álvarez, L.; García-Abenza, A.; Guerra, C.; Kossoski, F.; Rosado, J.; Blanco, F.; Oller, J.C.; Hasan, M.; Centurion, M.; et al. Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers. Int. J. Mol. Sci. 2023, 24, 12182. https://doi.org/10.3390/ijms241512182
NO DE-AC02-05CH11231DESC0019482UIDB/00068/2020PTDC/FIS-AQM/31281/2017CA18212EURAMET 21GRD02BIOSPHERE
NO Ministerio de Ciencia e Innovación (España)
NO Agencia Estatal de Investigación (España)
NO Ministerio de Universidades (España)
NO Department of Energy (US)
NO Office of Basic Energy Sciences (US)
NO Fundação para a Ciência e a Tecnologia (Portugal)
NO MaxPlanck Institute for Nuclear Physics (Germany)
NO European Commission
DS Docta Complutense
RD 21 abr 2025