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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...
Autores principales: | , , , , , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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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. |
format | Online Article Text |
id | pubmed-10418670 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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