Lozano, Ana I.Alvarez, LidiaGarcia Abenza, AdrianGuerra, CarlosKossoski, FabrisRosado Vélez, JaimeBlanco Ramos, FranciscoOller, Juan CarlosHasan, MahmudulCenturion, MartinWeber, ThorstenSlaughter, Daniel S.Mootheril, Deepthy M.Dorn, AlexanderKumar, SarveshLimao Vieira, Paulo)Colmenares, RafaelGarcia, Gustavo2025-01-102025-01-102023-07-29Lozano, 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/ijms2415121821661-659610.3390/ijms241512182https://hdl.handle.net/20.500.14352/113819DE-AC02-05CH11231 DESC0019482 UIDB/00068/2020 PTDC/FIS-AQM/31281/2017 CA18212 EURAMET 21GRD02BIOSPHEREIn 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.engAttribution 4.0 Internationalhttp://creativecommons.org/licenses/by/4.0/journal article1422-0067https://doi.org/10.3390/ijms241512182https://www.mdpi.com/1422-0067/24/15/12182open access539.1Electron scattering cross-sectionsElectron impact molecular fragmentationMolecular radiosensitizersRadiation damageIonizationDissociationFísica (Física)Física nuclear22 Física2207 Física Atómica y Nuclear