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

Autor: Matias F; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil. phdflaviomatias@gmail.com., Silva TF; Instituto de Física da Universidade de São Paulo, Rua do Matão, trav. R187, São Paulo, 05508-090, Brazil., Koval NE; Centro de Física de Materiales, Paseo Manuel de Lardizabal 5, Donostia-San Sebastián, 20018, Spain., Pereira JJN; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil., Antunes PCG; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil., Siqueira PTD; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil., Tabacniks MH; Instituto de Física da Universidade de São Paulo, Rua do Matão, trav. R187, São Paulo, 05508-090, Brazil., Yoriyaz H; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil., Shorto JMB; Instituto de Pesquisas Energéticas e Nucleares, Av. Professor Lineu Prestes, São Paulo, 05508-000, Brazil., Grande PL; Instituto de Física da Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves, Porto Alegre, 9500, Brazil.
Jazyk: angličtina
Zdroj: Scientific reports [Sci Rep] 2024 Apr 29; Vol. 14 (1), pp. 9868. Date of Electronic Publication: 2024 Apr 29.
DOI: 10.1038/s41598-024-60651-0
Abstrakt: This 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.
(© 2024. The Author(s).)
Databáze: MEDLINE
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