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

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 sc...

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Autores principales: Lozano, Ana I., Álvarez, Lidia, García-Abenza, Adrián, Guerra, Carlos, Kossoski, Fábris, Rosado, Jaime, Blanco, Francisco, Oller, Juan Carlos, Hasan, Mahmudul, Centurion, Martin, Weber, Thorsten, Slaughter, Daniel S., Mootheril, Deepthy M., Dorn, Alexander, Kumar, Sarvesh, Limão-Vieira, Paulo, Colmenares, Rafael, García, Gustavo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10418670/
https://www.ncbi.nlm.nih.gov/pubmed/37569557
http://dx.doi.org/10.3390/ijms241512182
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author Lozano, Ana I.
Álvarez, Lidia
García-Abenza, Adrián
Guerra, Carlos
Kossoski, Fábris
Rosado, Jaime
Blanco, Francisco
Oller, Juan Carlos
Hasan, Mahmudul
Centurion, Martin
Weber, Thorsten
Slaughter, Daniel S.
Mootheril, Deepthy M.
Dorn, Alexander
Kumar, Sarvesh
Limão-Vieira, Paulo
Colmenares, Rafael
García, Gustavo
author_facet Lozano, Ana I.
Álvarez, Lidia
García-Abenza, Adrián
Guerra, Carlos
Kossoski, Fábris
Rosado, Jaime
Blanco, Francisco
Oller, Juan Carlos
Hasan, Mahmudul
Centurion, Martin
Weber, Thorsten
Slaughter, Daniel S.
Mootheril, Deepthy M.
Dorn, Alexander
Kumar, Sarvesh
Limão-Vieira, Paulo
Colmenares, Rafael
García, Gustavo
author_sort Lozano, Ana I.
collection PubMed
description 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.
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spelling pubmed-104186702023-08-12 Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers Lozano, Ana I. Álvarez, Lidia García-Abenza, Adrián Guerra, Carlos Kossoski, Fábris Rosado, Jaime Blanco, Francisco Oller, Juan Carlos Hasan, Mahmudul Centurion, Martin Weber, Thorsten Slaughter, Daniel S. Mootheril, Deepthy M. Dorn, Alexander Kumar, Sarvesh Limão-Vieira, Paulo Colmenares, Rafael García, Gustavo Int J Mol Sci Article 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. MDPI 2023-07-29 /pmc/articles/PMC10418670/ /pubmed/37569557 http://dx.doi.org/10.3390/ijms241512182 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Lozano, Ana I.
Álvarez, Lidia
García-Abenza, Adrián
Guerra, Carlos
Kossoski, Fábris
Rosado, Jaime
Blanco, Francisco
Oller, Juan Carlos
Hasan, Mahmudul
Centurion, Martin
Weber, Thorsten
Slaughter, Daniel S.
Mootheril, Deepthy M.
Dorn, Alexander
Kumar, Sarvesh
Limão-Vieira, Paulo
Colmenares, Rafael
García, Gustavo
Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title_full Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title_fullStr Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title_full_unstemmed Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title_short Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers
title_sort electron scattering from 1-methyl-5-nitroimidazole: cross-sections for modeling electron transport through potential radiosensitizers
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10418670/
https://www.ncbi.nlm.nih.gov/pubmed/37569557
http://dx.doi.org/10.3390/ijms241512182
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