Literature DB >> 29480947

Geant4-DNA track-structure simulations for gold nanoparticles: The importance of electron discrete models in nanometer volumes.

Dousatsu Sakata1,2, Ioanna Kyriakou3, Shogo Okada4, Hoang N Tran5, Nathanael Lampe2, Susanna Guatelli6, Marie-Claude Bordage7,8, Vladimir Ivanchenko9,10, Koichi Murakami11, Takashi Sasaki11, Dimitris Emfietzoglou3, Sebastien Incerti1,2.   

Abstract

PURPOSE: Gold nanoparticles (GNPs) are known to enhance the absorbed dose in their vicinity following photon-based irradiation. To investigate the therapeutic effectiveness of GNPs, previous Monte Carlo simulation studies have explored GNP dose enhancement using mostly condensed-history models. However, in general, such models are suitable for macroscopic volumes and for electron energies above a few hundred electron volts. We have recently developed, for the Geant4-DNA extension of the Geant4 Monte Carlo simulation toolkit, discrete physics models for electron transport in gold which include the description of the full atomic de-excitation cascade. These models allow event-by-event simulation of electron tracks in gold down to 10 eV. The present work describes how such specialized physics models impact simulation-based studies on GNP-radioenhancement in a context of x-ray radiotherapy.
METHODS: The new discrete physics models are compared to the Geant4 Penelope and Livermore condensed-history models, which are being widely used for simulation-based NP radioenhancement studies. An ad hoc Geant4 simulation application has been developed to calculate the absorbed dose in liquid water around a GNP and its radioenhancement, caused by secondary particles emitted from the GNP itself, when irradiated with a monoenergetic electron beam. The effect of the new physics models is also quantified in the calculation of secondary particle spectra, when originating in the GNP and when exiting from it.
RESULTS: The new physics models show similar backscattering coefficients with the existing Geant4 Livermore and Penelope models in large volumes for 100 keV incident electrons. However, in submicron sized volumes, only the discrete models describe the high backscattering that should still be present around GNPs at these length scales. Sizeable differences (mostly above a factor of 2) are also found in the radial distribution of absorbed dose and secondary particles between the new and the existing Geant4 models. The degree to which these differences are due to intrinsic limitations of the condensed-history models or to differences in the underling scattering cross sections requires further investigation.
CONCLUSIONS: Improved physics models for gold are necessary to better model the impact of GNPs in radiotherapy via Monte Carlo simulations. We implemented discrete electron transport models for gold in Geant4 that is applicable down to 10 eV including the modeling of the full de-excitation cascade. It is demonstrated that the new model has a significant positive impact on particle transport simulations in gold volumes with submicron dimensions compared to the existing Livermore and Penelope condensed-history models of Geant4.
© 2018 American Association of Physicists in Medicine.

Entities:  

Keywords:  Geant4-DNA; gold nanoparticle

Mesh:

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Year:  2018        PMID: 29480947     DOI: 10.1002/mp.12827

Source DB:  PubMed          Journal:  Med Phys        ISSN: 0094-2405            Impact factor:   4.071


  14 in total

1.  Quantitative analysis of a micro array anode structured target for hard x-ray grating interferometry.

Authors:  Guibin Zan; David John Vine; Wenbing Yun; Sylvia Jia Yun Lewis; Qiuping Wang; Ge Wang
Journal:  Phys Med Biol       Date:  2020-02-04       Impact factor: 3.609

2.  Intercomparison of dose enhancement ratio and secondary electron spectra for gold nanoparticles irradiated by X-rays calculated using multiple Monte Carlo simulation codes.

Authors:  W B Li; A Belchior; M Beuve; Y Z Chen; S Di Maria; W Friedland; B Gervais; B Heide; N Hocine; A Ipatov; A P Klapproth; C Y Li; J L Li; G Multhoff; F Poignant; R Qiu; H Rabus; B Rudek; J Schuemann; S Stangl; E Testa; C Villagrasa; W Z Xie; Y B Zhang
Journal:  Phys Med       Date:  2020-01-06       Impact factor: 2.685

3.  Energy optimization in gold nanoparticle enhanced radiation therapy.

Authors:  Wonmo Sung; Jan Schuemann
Journal:  Phys Med Biol       Date:  2018-06-25       Impact factor: 3.609

4.  Multi-scale Monte Carlo simulations of gold nanoparticle-induced DNA damages for kilovoltage X-ray irradiation in a xenograft mouse model using TOPAS-nBio.

Authors:  Alexander P Klapproth; Jan Schuemann; Stefan Stangl; Tianwu Xie; Wei Bo Li; Gabriele Multhoff
Journal:  Cancer Nanotechnol       Date:  2021-10-24

5.  Quantification of Nanoscale Dose Enhancement in Gold Nanoparticle-Aided External Photon Beam Radiotherapy.

Authors:  Elena Vlastou; Evaggelos Pantelis; Efstathios P Efstathopoulos; Pantelis Karaiskos; Vasileios Kouloulias; Kalliopi Platoni
Journal:  Cancers (Basel)       Date:  2022-04-26       Impact factor: 6.575

6.  TOPAS-nBio: An Extension to the TOPAS Simulation Toolkit for Cellular and Sub-cellular Radiobiology.

Authors:  J Schuemann; A L McNamara; J Ramos-Méndez; J Perl; K D Held; H Paganetti; S Incerti; B Faddegon
Journal:  Radiat Res       Date:  2019-01-04       Impact factor: 2.841

7.  A gold nanoparticle system for the enhancement of radiotherapy and simultaneous monitoring of reactive-oxygen-species formation.

Authors:  By Jihye Choi; Kyung Oh Jung; Edward E Graves; Guillem Pratx
Journal:  Nanotechnology       Date:  2018-09-19       Impact factor: 3.874

8.  A detailed experimental and Monte Carlo analysis of gold nanoparticle dose enhancement using 6 MV and 18 MV external beam energies in a macroscopic scale.

Authors:  Tara Gray; Nema Bassiri; Shaquan David; Devanshi Yogeshkumar Patel; Sotirios Stathakis; Neil Kirby; Kathryn M Mayer
Journal:  Appl Radiat Isot       Date:  2021-02-10       Impact factor: 1.513

9.  Radiation Enhancer Effect of Platinum Nanoparticles in Breast Cancer Cell Lines: In Vitro and In Silico Analyses.

Authors:  Marie Hullo; Romain Grall; Yann Perrot; Cécile Mathé; Véronique Ménard; Xiaomin Yang; Sandrine Lacombe; Erika Porcel; Carmen Villagrasa; Sylvie Chevillard; Emmanuelle Bourneuf
Journal:  Int J Mol Sci       Date:  2021-04-23       Impact factor: 5.923

10.  Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement in cell organelles.

Authors:  Marc Benjamin Hahn; Julián Mateo Zutta Villate
Journal:  Sci Rep       Date:  2021-03-24       Impact factor: 4.379

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