{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T02:21:28Z","timestamp":1760149288185,"version":"build-2065373602"},"reference-count":62,"publisher":"MDPI AG","issue":"15","license":[{"start":{"date-parts":[[2023,7,29]],"date-time":"2023-07-29T00:00:00Z","timestamp":1690588800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004837","name":"Spanish Ministerio de Ciencia e Innovaci\u00f3n","doi-asserted-by":"publisher","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}],"id":[{"id":"10.13039\/501100004837","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Spanish Ministerio de Universidades","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"U.S. Department of Energy (DOE)","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"Office of Science (Sc)","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"Division of Chemical Sciences","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"Geosciences and Biosciences (CSGB)","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"Office of Basic Energy Sciences (BES)","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"Portuguese National Funding Agency (FCT)","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"MICIU","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]},{"name":"CAM","award":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"],"award-info":[{"award-number":["PID2019-104727RB-C21","PRX21\/00340","PRX21\/00340","DESC0019482","DESC0019482","DESC0019482","DESC0019482","UIDB\/00068\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>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.<\/jats:p>","DOI":"10.3390\/ijms241512182","type":"journal-article","created":{"date-parts":[[2023,7,31]],"date-time":"2023-07-31T01:26:40Z","timestamp":1690766800000},"page":"12182","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4613-0372","authenticated-orcid":false,"given":"Ana I.","family":"Lozano","sequence":"first","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas-CSIC, Serrano 113-bis, 28006 Madrid, Spain"},{"name":"Laborat\u00f3rio de Colis\u00f5es At\u00f3micas e Moleculares, CEFITEC, Departamento de F\u00edsica, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"}]},{"given":"Lidia","family":"\u00c1lvarez","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas-CSIC, Serrano 113-bis, 28006 Madrid, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3843-0578","authenticated-orcid":false,"given":"Adri\u00e1n","family":"Garc\u00eda-Abenza","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas-CSIC, Serrano 113-bis, 28006 Madrid, Spain"}]},{"given":"Carlos","family":"Guerra","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas-CSIC, Serrano 113-bis, 28006 Madrid, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1627-7093","authenticated-orcid":false,"given":"F\u00e1bris","family":"Kossoski","sequence":"additional","affiliation":[{"name":"Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\u00e9 de Toulouse, CNRS, UPS, 31062 Toulouse, France"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8208-9480","authenticated-orcid":false,"given":"Jaime","family":"Rosado","sequence":"additional","affiliation":[{"name":"Departamento de Estructura de la Materia, F\u00edsica T\u00e9rmica y Electr\u00f3nica e IPARCOS, Universidad Complutense de Madrid, Avenida Complutense, 28040 Madrid, Spain"}]},{"given":"Francisco","family":"Blanco","sequence":"additional","affiliation":[{"name":"Departamento de Estructura de la Materia, F\u00edsica T\u00e9rmica y Electr\u00f3nica e IPARCOS, Universidad Complutense de Madrid, Avenida Complutense, 28040 Madrid, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2754-2788","authenticated-orcid":false,"given":"Juan Carlos","family":"Oller","sequence":"additional","affiliation":[{"name":"Centro de Investigaciones Energ\u00e9ticas Medioambientales y Tecnol\u00f3gicas (CIEMAT), Avenida Complutense 22, 28040 Madrid, Spain"}]},{"given":"Mahmudul","family":"Hasan","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA"},{"name":"Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA"}]},{"given":"Martin","family":"Centurion","sequence":"additional","affiliation":[{"name":"Department of Physics and Astronomy, University of Nebraska-Lincoln, Lincoln, NE 68588, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3756-2704","authenticated-orcid":false,"given":"Thorsten","family":"Weber","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4621-4552","authenticated-orcid":false,"given":"Daniel S.","family":"Slaughter","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2949-2286","authenticated-orcid":false,"given":"Deepthy M.","family":"Mootheril","sequence":"additional","affiliation":[{"name":"Max Planck Institute for Nuclear Physics, 69117 Heidelberg, Germany"}]},{"given":"Alexander","family":"Dorn","sequence":"additional","affiliation":[{"name":"Max Planck Institute for Nuclear Physics, 69117 Heidelberg, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1996-9925","authenticated-orcid":false,"given":"Sarvesh","family":"Kumar","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Colis\u00f5es At\u00f3micas e Moleculares, CEFITEC, Departamento de F\u00edsica, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"},{"name":"Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2696-1152","authenticated-orcid":false,"given":"Paulo","family":"Lim\u00e3o-Vieira","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Colis\u00f5es At\u00f3micas e Moleculares, CEFITEC, Departamento de F\u00edsica, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2964-3013","authenticated-orcid":false,"given":"Rafael","family":"Colmenares","sequence":"additional","affiliation":[{"name":"Servicio de Radiof\u00edsica, IRYCIS-Hospital Universitario Ram\u00f3n y Cajal, Carretera de Colmenar Viejo Km. 9.100, 28034 Madrid, Spain"}]},{"given":"Gustavo","family":"Garc\u00eda","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica Fundamental, Consejo Superior de Investigaciones Cient\u00edficas-CSIC, Serrano 113-bis, 28006 Madrid, Spain"},{"name":"Centre for Medical Radiation Physics, University of Wollongong, Wollongong, NSW 2522, Australia"}]}],"member":"1968","published-online":{"date-parts":[[2023,7,29]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1259\/0007-1285-22-261-521","article-title":"The Influence of Energy Absorption and Electron Range on Dosage in Irradiated Bone","volume":"22","author":"Spiers","year":"1949","journal-title":"Br. J. Radiol."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1186\/s12645-016-0021-x","article-title":"Gold nanoparticles for cancer radiotherapy: A review","volume":"7","author":"Haume","year":"2016","journal-title":"Cancer Nanotechnol."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.biomaterials.2019.01.004","article-title":"Porous platinum nanoparticles as a high-Z and oxygen generating nano-zyme for enhanced radiotherapy in vivo","volume":"197","author":"Li","year":"2019","journal-title":"Biomaterials"},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"10410","DOI":"10.1021\/acs.chemrev.5b00193","article-title":"Gold nanomaterials at work in biomedicine","volume":"115","author":"Yang","year":"2015","journal-title":"Chem. Rev."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"1083","DOI":"10.2147\/IJN.S290438","article-title":"Application of Radiosensitizers in Cancer Radiotherapy","volume":"16","author":"Gong","year":"2021","journal-title":"Int. J. Nanomed."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"12356","DOI":"10.1021\/jp904977z","article-title":"Resonant X-ray Enhancement of the Auger Effect in High-Z Atoms, Molecules, and Nanoparticles: Potential Biomedical Applications","volume":"113","author":"Pradhan","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref_7","doi-asserted-by":"crossref","unstructured":"Calvo, F.A., Serrano, J., Cambeiro, M., Aristu, J., Asencio, J.M., Rubio, I., Delgado, J.M., Ferrer, C., and Pascau, J. (2022). Intra-Operative Electron Radiation Therapy: An Update of the Evidence Collected in 40 Years to Search for Models for Electron-FLASH Studies. Cancers, 14.","DOI":"10.3390\/cancers14153693"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1002\/pro6.1149","article-title":"A review of proton-therapy\u2013Current status and future directions","volume":"6","author":"Mohan","year":"2022","journal-title":"Prec. Radiat. Oncol."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"15TR02","DOI":"10.1088\/1361-6560\/ac65d3","article-title":"Roadmap: Helium ion therapy","volume":"67","author":"Mairani","year":"2022","journal-title":"Phys. Med. Biol."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1002\/pro6.1146","article-title":"Carbon ion radiotherapy in the management of non-small cell lung cancer","volume":"6","author":"Seneviratne","year":"2022","journal-title":"Prec. Radiat. Oncol."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"7798","DOI":"10.1088\/1361-6560\/aa88a0","article-title":"Oxygen beams for therapy: Advanced biological treatment planning and experimental verification","volume":"62","author":"Sokol","year":"2017","journal-title":"Phys. Med. Biol."},{"key":"ref_12","first-page":"1549","article-title":"Improving proton therapy by metal-containing nanoparticles: Nanoscale insights","volume":"11","author":"Eustache","year":"2016","journal-title":"Int. J. Nanomed."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"2388","DOI":"10.1038\/s41467-019-10340-8","article-title":"Low-energy electrons transform the nimorazole molecule into a radiosensitizer","volume":"10","author":"Fedor","year":"2019","journal-title":"Nat. Commun."},{"key":"ref_14","doi-asserted-by":"crossref","unstructured":"Mei\u00dfner, R., Feketeov\u00e1, L., Illenberger, E., and Denifl, S. (2019). Reactions in the Radiosensitizer Misonidazole Induced by Low-Energy (0\u201310 eV) Electrons. Int. J. Mol. Sci., 20.","DOI":"10.3390\/ijms20143496"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"10756","DOI":"10.1073\/pnas.1808945115","article-title":"Papaverine and its derivatives radiosensitize solid tumors by inhibiting mitochondrial metabolism","volume":"115","author":"Benej","year":"2018","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"12240","DOI":"10.1002\/anie.201407452","article-title":"Reactions in Nitroimidazole Triggered by Low-Energy (0\u20132 eV) Electrons: Methylation at N1-H Completely Blocks Reactivity","volume":"53","author":"Tanzer","year":"2014","journal-title":"Angew. Chem. Int. Ed."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"6032","DOI":"10.1021\/acs.jpca.2c05005","article-title":"Electron and Positron Scattering Cross Sections from CO2: A Comparative Study over a Broad Energy Range (0.1\u20135000 eV)","volume":"126","author":"Lozano","year":"2022","journal-title":"J. Phys. Chem. A"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"7001","DOI":"10.1021\/acs.jpclett.2c01704","article-title":"Observation of Transient Anions That Do Not Decay through Dissociative Electron Attachment: New Pathways for Radiosensitization","volume":"13","author":"Lozano","year":"2022","journal-title":"J. Phys. Chem. Lett."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"063105","DOI":"10.1063\/1.5030068","article-title":"Magnetically confined electron beam system for high resolution electron transmission-beam experiments","volume":"89","author":"Lozano","year":"2018","journal-title":"Rev. Sci. Instrum."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1016\/j.physleta.2004.07.027","article-title":"Screening Corrections for Calculation of Electron Scattering Differential Cross Sections from Polyatomic Molecules","volume":"330","author":"Blanco","year":"2004","journal-title":"Phys. Lett. A"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1016\/j.cplett.2015.11.056","article-title":"Screening corrections for the interference contributions to the electron and positron scattering cross sections from polyatomic molecules","volume":"645","author":"Blanco","year":"2016","journal-title":"Chem. Phys. Lett."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"22368","DOI":"10.1039\/C8CP03297A","article-title":"Total electron scattering cross sections from para-benzoquinone in the energy range 1\u2013200 eV","volume":"20","author":"Lozano","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"2473","DOI":"10.1103\/PhysRevA.24.2473","article-title":"Extension of the Schwinger Variational Principle beyond the Static-Exchange Approximation","volume":"24","author":"Takatsuka","year":"1981","journal-title":"Phys. Rev. A"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1140\/epjd\/e2015-60192-6","article-title":"Recent Advances in the Application of the Schwinger Multichannel Method with Pseudopotentials to Electron-Molecule Collisions","volume":"69","author":"Bettega","year":"2015","journal-title":"Eur. Phys. J. D"},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/S0010-4655(98)00091-5","article-title":"Differential cross sections for electron\/positron scattering from polyatomic molecules","volume":"142","author":"Sanna","year":"1998","journal-title":"Comput. Phys. Commun."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/S1387-3806(00)00279-7","article-title":"Empty level structure and dissociative electron attachment in gas-phase nitro derivatives","volume":"205","author":"Modelli","year":"2001","journal-title":"Int. J. Mass Spectrom."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"13505","DOI":"10.1039\/D0CP02039G","article-title":"Electron scattering cross sections from nitrobenzene in the energy range 0.4\u20131000 eV: The role of dipole interactions in measurements and calculations","volume":"22","author":"Costa","year":"2020","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"023106","DOI":"10.1063\/1.3685244","article-title":"A momentum imaging microscope for dissociative electron attachment","volume":"83","author":"Adaniya","year":"2012","journal-title":"Rev. Sci. Instrum."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"6668","DOI":"10.1021\/acs.jpca.5b02721","article-title":"Reactions in Nitroimidazole and Methylnitroimidazole Triggered by Low-Energy (0\u20138 eV) Electrons","volume":"119","author":"Tanzer","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1103\/RevModPhys.43.297","article-title":"Inelastic Collisions of Fast Charged Particles with Atoms and Molecules\u2014The Bethe Theory Revisited","volume":"43","author":"Inokuti","year":"1971","journal-title":"Rev. Mod. Phys."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"3954","DOI":"10.1103\/PhysRevA.50.3954","article-title":"Binary-encounter-dipole model for electron-impact ionization","volume":"50","author":"Kim","year":"1994","journal-title":"Phys. Rev. A"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"4041","DOI":"10.1063\/1.1388041","article-title":"Evaluation of the computational methods for electron-impact total ionization cross sections: Fluoromethanes as benchmarks","volume":"115","author":"Torres","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1016\/j.ijms.2018.03.012","article-title":"Electron impact ionization of 1-butanol: II. Total ionization cross sections and appearance energies","volume":"430","author":"Ghosh","year":"2018","journal-title":"Int. J. Mass. Spectrom."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"3191","DOI":"10.1088\/0022-3700\/20\/13\/025","article-title":"The R-matrix method for electron impact ionization","volume":"20","author":"Bartschat","year":"1987","journal-title":"J. Phys. B"},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"R3161","DOI":"10.1103\/PhysRevA.57.R3161","article-title":"Low-energy electron-impact ionization of helium","volume":"57","author":"Bray","year":"1998","journal-title":"Phys. Rev. A"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"770","DOI":"10.1002\/jms.3979","article-title":"Fragmentation patterns of 4(5)-nitroimidazole and 1-methyl-5-nitroimidazole\u2014The effect of the methylation","volume":"52","author":"Tanzer","year":"2017","journal-title":"J. Mass. Spectrom."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"114303","DOI":"10.1063\/1.4752654","article-title":"Experimental and theoretical studies of the decomposition of new imidazole based energetic materials: Model systems","volume":"137","author":"Yu","year":"2012","journal-title":"J. Chem. Phys."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"12598","DOI":"10.1039\/C5CP01014D","article-title":"Decomposition of nitroimidazole ions: Experiment and theory","volume":"17","author":"Postler","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"989","DOI":"10.1093\/nar\/3.4.989","article-title":"Reaction of diazoalkanes with 1-substituted 2, 4-dioxopyrimidines. Formation of O2, N-3 and O4-alkyl products","volume":"3","author":"Singer","year":"1976","journal-title":"Nucleic Acids Res."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1080\/00268976.2017.1293306","article-title":"Scattering of electrons with formyl radical","volume":"115","author":"Yadav","year":"2017","journal-title":"Mol. Phys."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"1982","DOI":"10.1021\/jacs.2c12808","article-title":"Water Complex of Imidogen","volume":"145","author":"Li","year":"2023","journal-title":"J. Am. Chem. Soc."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"4633","DOI":"10.1088\/0022-3700\/13\/23\/021","article-title":"Electron scattering by atomic hydrogen: The distorted-wave second Born approximation","volume":"13","author":"Kingston","year":"1980","journal-title":"J. Phys. B"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"012717","DOI":"10.1103\/PhysRevA.73.012717","article-title":"Single ionization of the water molecule by electron impact: Angular distributions at low incident energy","volume":"73","author":"Champion","year":"2006","journal-title":"Phys. Rev. A"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1140\/epjd\/e2017-70615-y","article-title":"Double differential cross sections for liquid water ionization by fast electron impact","volume":"71","author":"Politis","year":"2017","journal-title":"Eur. Phys. J. D."},{"key":"ref_45","doi-asserted-by":"crossref","unstructured":"Costa, F., Traor\u00e9-Dubuis, A., \u00c1lvarez, L., Lozano, A.I., Ren, X., Dorn, A., Lim\u00e3o-Vieira, P., Blanco, F., Oller, J.C., and Mu\u00f1oz, A. (2020). A Complete Cross Section Data Set for Electron Scattering by Pyridine: Modelling Electron Transport in the Energy Range 0\u2013100 eV. Int. J. Mol. Sci., 21.","DOI":"10.3390\/ijms21186947"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"034304","DOI":"10.1063\/1.5040352","article-title":"Cross sections for electron scattering from thiophene for a broad energy range","volume":"149","author":"Loupas","year":"2018","journal-title":"J. Chem. Phys."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"6657","DOI":"10.1021\/jp503665a","article-title":"Electron Scattering from Pyridine","volume":"118","author":"Sieradzka","year":"2014","journal-title":"J. Phys. Chem. A"},{"key":"ref_48","doi-asserted-by":"crossref","unstructured":"Colmenares, R., Carri\u00f3n-Marchante, R., Mart\u00edn, M.E., Salinas-Mu\u00f1oz, L., Garc\u00eda-Bermejo, M.L., Oller, J.C., Mu\u00f1oz, A., Blanco, F., Rosado, J., and Lozano, A.I. (2023). Dependence of the induced biological damage on the energy distribution and intensity of intra-operative radiotherapy elec-tron beams. Int. J. Mol. Sci., 24.","DOI":"10.3390\/ijms241310816"},{"key":"ref_49","doi-asserted-by":"crossref","unstructured":"Garc\u00eda-Abenza, A., Lozano, A.I., Oller, J.C., Blanco, F., Gorfinkiel, J.D., Lim\u00e3o-Vieira, P., and Garc\u00eda, G. (2021). Evaluation of Recommended Cross Sections for the Simulation of Electron Tracks in Water. Atoms, 9.","DOI":"10.3390\/atoms9040098"},{"key":"ref_50","doi-asserted-by":"crossref","unstructured":"Garc\u00eda-Abenza, A., Lozano, A.I., Alvarez, L., Oller, J.C., Rosado, J., Blanco, F., Limao-Vieira, P., and Garcia, G. (2023). Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1\u20131000 eV. Phys. Chem. Chem. Phys., submitted.","DOI":"10.1039\/D3CP01908J"},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"234311","DOI":"10.1063\/1.4811218","article-title":"Low-Energy Electron Scattering from the Aza-Derivatives of Pyrrole, Furan, and Thiophene","volume":"138","author":"Kossoski","year":"2013","journal-title":"J. Chem. Phys."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"164310","DOI":"10.1063\/1.5005604","article-title":"How Does Methylation Suppress the Electron Induced Decomposition of 1-Methyl-Nitroimidazoles?","volume":"147","author":"Kossoski","year":"2017","journal-title":"J. Chem. Phys."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"2894","DOI":"10.1103\/PhysRevA.45.2894","article-title":"Electron-Impact Excitation of the T and V States of Ethylene: An Ab Initio Study","volume":"45","author":"Rescigno","year":"1992","journal-title":"Phys. Rev. A"},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1021\/cr200137a","article-title":"Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications","volume":"112","author":"Szalay","year":"2012","journal-title":"Chem. Rev."},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"149","DOI":"10.1002\/qua.560120820","article-title":"Variational Configuration Interaction Methods and Comparison with Perturbation Theory","volume":"12","author":"Pople","year":"1977","journal-title":"Int. J. Quantum Chem."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"134110","DOI":"10.1063\/1.5144267","article-title":"The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry","volume":"152","author":"Lischka","year":"2020","journal-title":"J. Chem. Phys."},{"key":"ref_57","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., and Nakatsuji, H. (2016). Guassian 16, Revision C.01, Gaussian, Inc."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1140\/epjd\/s10053-021-00300-7","article-title":"A Complete Data Set for the Simulation of Electron Transport through Gaseous Tetrahydrofuran in the Energy Range 1\u2013100 eV","volume":"75","author":"Lozano","year":"2021","journal-title":"Eur. Phys. J. D"},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"042702","DOI":"10.1103\/PhysRevA.88.042702","article-title":"Total Electron-Scattering Cross Sections from Pyrimidine as Measured Using a Magnetically Confined Experimental System","volume":"88","author":"Fuss","year":"2013","journal-title":"Phys. Rev. A"},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/j.cplett.2018.07.005","article-title":"Total Electron Scattering Cross Section from Sevoflurane by 1\u2013300 eV Energy Electron Impact","volume":"706","author":"Lozano","year":"2018","journal-title":"Chem. Phys. Lett."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1088\/0034-4885\/66\/9\/203","article-title":"Recoil-ion and electron momentum spectroscopy: Reaction-microscopes","volume":"66","author":"Ullrich","year":"2003","journal-title":"Rep. Prog. Phys."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"134314","DOI":"10.1063\/1.4896614","article-title":"An (e, 2e + ion) study of low-energy electron-impact ionization and fragmentation of tetrahydrofuran with high mass and energy resolutions","volume":"141","author":"Ren","year":"2014","journal-title":"J. Chem. Phys."}],"container-title":["International Journal of Molecular Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1422-0067\/24\/15\/12182\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T20:22:16Z","timestamp":1760127736000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1422-0067\/24\/15\/12182"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,7,29]]},"references-count":62,"journal-issue":{"issue":"15","published-online":{"date-parts":[[2023,8]]}},"alternative-id":["ijms241512182"],"URL":"https:\/\/doi.org\/10.3390\/ijms241512182","relation":{},"ISSN":["1422-0067"],"issn-type":[{"type":"electronic","value":"1422-0067"}],"subject":[],"published":{"date-parts":[[2023,7,29]]}}}