Geant4 Monte Carlo simulation of absorbed dose and radiolysis yields enhancement from a gold nanoparticle under MeV proton irradiation

Tran, Hoang Ngoc; Karamitros, Mathieu; Ivanchenko, V. N.; Guatelli, Susanna; McKinnon, Sally; Murakami, K.; Sasaki, Takashi; Okada, Shogo; Bordage, Marie‐Claude; Francis, Z.; Bitar, Ziad El; Bernal, Mario A.; Shin, J.I.; Lee, Sang Bae; Barberet, Philippe; Tran, Trung Quang; Brown, Jeremy M. C.; Tang, Hao; Incerti, S.

doi:10.1016/j.nimb.2016.01.017

Cited by 76 publications

(92 citation statements)

References 33 publications

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“…Overall, the free radical production should be more sensitive to the physical interaction model and production threshold used. The initial free radical production is directly proportional to the dose deposition, or equivalently to the secondary electron production (Tran et al 2016). As Tran et al demonstrated, the time evolution of the distribution suggests that the free radicals on average stay in their initial positions.…”

Section: Discussionmentioning

confidence: 98%

Geant4 interaction model comparison for dose deposition from gold nanoparticles under proton irradiation

Sotiropoulos

Taylor

Henthorn

et al. 2017

Biomed. Phys. Eng. Express

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Gold nanoparticles (GNPs) have shown a potential as a radiosensitizer in radiotherapy. The radiosensitization effect is thought to be linked to the increased dose deposition around the GNP. Monte Carlo simulations have been implemented for the calculation of the dose distributions around the GNPs and have been used for the calculation of the dose enhancement. They have also been imported to radiobiological models to predict biological endpoints. This work assessed the implications of different physical interaction models on the dose distribution and dose enhancement of GNPs surrounded by water under proton irradiation. The Penelope and Livermore physical interaction model implementation of the Geant4 simulation toolkit were compared considering the following parameters: i) GNP size, ii) proton energy, and iii) alternative physics model parameters in the gold or water medium. We found that neither the dose distribution nor the dose enhancement is sensitive to the model selection after the first 100 nm from the GNP surface. Within the first 100 nm the Livermore models calculated a higher dose, attributed to a higher production of low energy secondary electrons inside the GNP.

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Section: Discussionmentioning

confidence: 98%

Geant4 interaction model comparison for dose deposition from gold nanoparticles under proton irradiation

Sotiropoulos

Taylor

Henthorn

et al. 2017

Biomed. Phys. Eng. Express

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“…Tran et al . investigated the production of molecular species around gold nanoparticles (GNP) using Geant4‐DNA.…”

Section: Review Of Geant4‐dna‐based Water Radiolysis Simulationsmentioning

confidence: 99%

“…While this is sufficient for modeling many macroscale radiobiological effects, there are cases where modeling the direct damage alone cannot explain experimental observations. For example, there are indications that ROS play a major role in the enhancement of proton radiotherapy by high Z metallic nanoparticles …”

Section: Introductionmentioning

confidence: 99%

Validation and investigation of reactive species yields of Geant4‐DNA chemistry models

et al. 2018

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Purpose Indirect biological damage due to reactive species produced in water radiolysis reactions is responsible for the majority of biological effect for low linear energy transfer (LET) radiation. Modeling water radiolysis and the subsequent interactions of reactive species, as well as track structures, is essential to model radiobiology on the microscale. Recently, chemistry models have been developed for Geant4‐DNA to be used in combination with the comprehensive existing physics models. In the current work, the first detailed, independent, in silico validation of all species yields with published experimental observations and comparison with other radiobiological simulations is presented. Additionally, the effect of LET of protons and heavier ions on reactive species yield in the model was examined, as well as the completeness of the chemical reactions following the radiolysis within the time after physical interactions simulated in the model. Methods Yields over time of reactive species were simulated for water radiolysis by incident electrons, protons, alpha particles, and ions with various LETs using Geant4 and RITRACKS simulation tools. Water dissociation and recombination was simulated using Geant4 to determine the completeness of chemical reactions at the end of the simulation. Yield validation was performed by comparing yields simulated using Geant4 with experimental observations and other simulations. Validation was performed for all species for low LET radiation and the solvated electron and hydroxyl radical for high LET ions. Results It was found that the Geant4‐DNA chemistry yields were generally in good agreement with experimental observations and other simulations. However, the Geant4‐DNA yields for the hydroxyl radical and hydrogen peroxide at the end of the chemistry stage were found to be respectively considerably higher and lower than the experimentally observed yields. Increasing the LET of incident hadrons increased the yield of secondary species and decreased the yield of primary species. The effect of LET on the yield of the hydroxyl radical at 100 ns simulated with Geant4 was in good agreement with experimental measurements. Additionally, by the end of the simulation only 40% of dissociated water molecules had been recombined and the rate of recombination was slowing. Conclusions The yields simulated using Geant4 are within reasonable agreement with experimental observations. Higher LET radiation corresponds with increased yields of secondary species and decreased yields of primary species. These trends combined with the LET having similar effects on the 100 ns hydroxyl radical yield for Geant4 and experimental measurements indicate that Geant4 accurately models the effect of LET on radiolysis yields. The limited recombination within the modeled chemistry stage and the slowing rate of recombination at the end of the stage indicate potential long‐range indirect biological damage.

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“…Tran et al simulated a spherical gold nanoparticle of 50 nm diameter in an environment of water and irradiated by protons with energies between 2 and 170 MeV (21). Based on the results of their research, nanoparticle improves the dose in that area.…”

Section: The Impact Of Gnps On Primitive Dose Profilementioning

confidence: 99%

“…Walzlein et al (8) made MC simulations, using the track structure code TRAX to investigate a possible dose enhancement effect by proton or electron irradiation in the vicinity of nanoparticles consisting of different high Z atomic materials. Tran et al (21) presented an in silico investigation, on the basis of the general purpose MC simulation toolkit Geant4, into energy deposition and radical species production around a spherical GNPs 50 nm in diameter via proton irradiation.…”

Section: Introductionmentioning

confidence: 99%

Enhancement Evaluation of Energy Deposition and Secondary Particle Production in Gold Nanoparticle Aided Tumor Using Proton Therapy

2017

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Background: Numerous qualitative studies have been carried out on the safety and clinical use of GNPs as a radio-sensitizer in tumors, using proton therapy and the results have been promising. However, some quantitative studies should be conducted in order to examine the factors affecting this method. Methods: Monte Carlo simulation was performed by MCNPX code to assess pristine Bragg peak, spread-out bragg peak (SOBP), and secondary particle production enhancement in GNPs radio-sensitized tumor using proton therapy. Results:The results show several percent dose enhancement within and its reduction after the tumor site. A little increase in neutron production and no deviation for photon production is indicated. Conclusions: Finally, it can be concluded that sensitization of a realistic tumor can be beneficial during the proton therapy.

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Geant4 Monte Carlo simulation of absorbed dose and radiolysis yields enhancement from a gold nanoparticle under MeV proton irradiation

Cited by 76 publications

References 33 publications

Geant4 interaction model comparison for dose deposition from gold nanoparticles under proton irradiation

Geant4 interaction model comparison for dose deposition from gold nanoparticles under proton irradiation

Validation and investigation of reactive species yields of Geant4‐DNA chemistry models

Enhancement Evaluation of Energy Deposition and Secondary Particle Production in Gold Nanoparticle Aided Tumor Using Proton Therapy

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