Efficient computational modeling of electronic stopping power of organic polymers for proton therapy optimization

MATIAS, F.SILVA, T.F.KOVAL, N.E.PEREIRA, J.J.N.ANTUNES, P.C.G.SIQUEIRA, P.T.D.TABACNIKS, M.H.YORIYAZ, H.SHORTO, J.M.B.GRANDE, P.L.2024-06-182024-06-182024MATIAS, F.; SILVA, T.F.; KOVAL, N.E.; PEREIRA, J.J.N.; ANTUNES, P.C.G.; SIQUEIRA, P.T.D.; TABACNIKS, M.H.; YORIYAZ, H.; SHORTO, J.M.B.; GRANDE, P.L. Efficient computational modeling of electronic stopping power of organic polymers for proton therapy optimization. <b>Scientific Reports</b>, v. 14, n. 1, p. 1-10, 2024. DOI: <a href="https://dx.doi.org/10.1038/s41598-024-60651-0">10.1038/s41598-024-60651-0</a>. Disponível em: https://repositorio.ipen.br/handle/123456789/48131.2045-2322https://repositorio.ipen.br/handle/123456789/48131This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping power estimates, we employed real-time time-dependent density functional theory coupled with the Penn method. Surprisingly, the assumption of electron density homogeneity in polymers is fundamentally flawed, resulting in an overestimation of stopping power values at energies below 2 MeV. Moreover, the Bragg rule application in specific compounds exhibited significant deviations from experimental data around the stopping maximum, challenging established norms.1-10openAccessproton beamsradiotherapyneoplasmsbragg reflectionorganic polymerssimulationtherapyenergy transferEfficient computational modeling of electronic stopping power of organic polymers for proton therapy optimizationArtigo de periódico11410.1038/s41598-024-60651-0https://orcid.org/0000-0003-4023-236Xhttps://orcid.org/0000-0003-4817-527581.792.00