Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections forModeling Electron Transport through Potential Radiosensitizers

Authors

Ana I. Lozano, Consejo Superior de Investigaciones Científicas-CSIC, Universidade NOVA de Lisboa
Lidia Álvarez, Consejo Superior de Investigaciones Científicas-CSIC
Adrián García-Abenza, Consejo Superior de Investigaciones Científicas-CSIC
Carlos Guerra, Consejo Superior de Investigaciones Científicas-CSIC
Fábris Kossoski, Université de Toulouse
Jaime Rosado, Universidad Complutense de Madrid
Francisco Blanco, Universidad Complutense de Madrid
Juan Carlos Oller, Centro de Investigaciones Energéticas Medioambientales y Tecnológicas
Mahmudul Hasan, Lawrence Berkeley National Laboratory, University of Nebraska-LincolnFollow
Martin Centurion, University of Nebraska - LincolnFollow
Thorsten Weber, Lawrence Berkeley National Laboratory
Daniel S. Slaughter, Lawrence Berkeley National Laboratory
Deepthy M. Mootheril, Max Planck Institute for Nuclear Physics
Alexander Dorn, Max Planck Institute for Nuclear Physics
Sarvesh Sarvesh, Universidade NOVA de Lisboa, Lawrence Berkeley National Laboratory
Paulo Limão-Vieira, Universidade NOVA de Lisboa
Rafael Colmenares, IRYCIS-Hospital Universitario Ramón y Cajal
Gustavo García, Consejo Superior de Investigaciones Científicas-CSIC, University of Wollongong

Date of this Version

7-29-2023

Citation

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

Comments

Open access.

Abstract

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.