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

Sakata, D.; Kyriakou, Ioanna; Okada, Shogo; Tran, H.N.; Lampe, Nathanael; Guatelli, Susanna; Bordage, Marie‐Claude; Ivanchenko, V. N.; Murakami, K.; Sasaki, Takashi; Emfietzoglou, Dimitris; Incerti, S.

doi:10.1002/mp.12827

Cited by 62 publications

(53 citation statements)

References 72 publications

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“…For interactions of electrons in gold, discrete physics models for electron transportation down to 10 eV have recently been implemented within the Geant4-DNA low energy extension of Geant4. Such models allow the investigation of GNP effects at the nanoscale [54,55]. For practical MC radiation transport simulations, elastic scattering, excitation and ionization cross sections for electrons were calculated for water vapor, liquid water and DNA molecular moiety to mimic the interactions of electrons in biological tissues [42,53,[56][57][58].…”

Section: Physical Interaction Of Electrons With Gold and Liquid Watermentioning

confidence: 99%

“…The most widely used physics lists of interactions in GNPs are the so-called Livermore and Penelope lists. Both lists use condensed-history models for electron transport and were shown to underestimate the backscattering coefficients compared to yet unreleased discrete models [54,55]. The Livermore physics list can be used down to 10 eV [54,82] (while not recommended), but the Penelope list has a limit at 100 eV and was found to underestimate dose enhancement within the first 100 nm from a GNP surface [83].…”

Section: A2 Topas/topas-nbio Codementioning

confidence: 99%

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

Belchior

Beuve

et al. 2020

Physica Medica

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HAL is a multidisciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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Section: Physical Interaction Of Electrons With Gold and Liquid Watermentioning

confidence: 99%

Section: A2 Topas/topas-nbio Codementioning

confidence: 99%

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

Belchior

Beuve

et al. 2020

Physica Medica

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“…The physics model of electron interaction in gold may have an impact on the simulation results. It is worth noting that besides the Livermore physics for gold, there are some improved models for gold to better predict the impact of GNPs, such as the discrete models (Geant4‐DNA‐AU) for electron transport in gold in Geant4 which are applicable down to 10 eV including the modeling of the full‐excitation . It was found that new discrete model for gold shows similar backscattering coefficient to the existing Geant4 Livermore model, but in submicron‐sized volumes, only the discrete physics models describe the high backscattering presenting around GNPs.…”

Section: Resultsmentioning

confidence: 99%

Modeling gold nanoparticle radiosensitization using a clustering algorithm to quantitate DNA double‐strand breaks with mixed‐physics Monte Carlo simulation

Liu

Zhao

et al. 2019

Medical Physics

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Purpose: The radiosensitization properties of gold nanoparticles (GNPs) are investigated using a simple Geant4 cell model considering a realistic cell geometry and a clustering algorithm to characterize the number of DNA double-strand breaks (DSBs). Materials and methods: A mixed-physics approach is taken for accurate modeling of low-energy photon interactions in the different regions of the model using Geant4-DNA physics within the cell, and Livermore physics within gold. Density-based spatial clustering of applications with noise (DBSCAN), a clustering algorithm, is used to directly quantitate DNA DSBs after irradiation. The simulation was run using different sizes of GNPs, different distances of GNPs from the cell nucleus, and several combinations of these two conditions. Results: Four types of radiation were simulated in the work: 80-keV monoenergetic photons, 100-keV monoenergetic photons, a 250-kVp photon spectrum, and a 6-MV flattening filter free (FFF) photon spectrum. A variable enhancement in DSB yield, nucleus dose, and cell dose was observed when there are GNPs in the cell cytoplasm, and increases with larger GNPs and proximity to the nucleus. The distance of the GNPs from the nucleus has a large impact on the DSB yield and nucleus dose, but little to no effect on the cell dose. The cell dose enhancement factor of 80 keV photons varies from 1.037-1.125 at 0.2 µm for 30-100 nm GNPs to 1.040-1.127 at 4 lm. The DSB enhancement factor varies from 1.050 to 1.174 at 0.2 µm to a marginal effect of <1.01 at 4 lm. For 100 keV, the dose enhancement factor is from 1.142-1.470 at 0.2 µm to 1.106-1.371 at 4 lm. The DSB enhancement factor varies from 1.249-1.813 at 0.2 µm to almost no effect at 4 lm. For 250 kVp, the dose enhancement factor is from 1.117-1.393 at 0.2 lm to 1.110-1.342 at 4 lm. The DSB enhancement factor varies from 1.183-1.600 at 0.2 lm to a marginal effect of~1.03 at 4 lm. A 6-MV FFF shows a dose enhancement factor of 1.061-1.103 at 0.2 lm and 1.053-1.107 at 4 lm. The DSB yield varies from 1.070-1.143 at 0.2 lm to a marginal effect at 4 lm. Conclusion: The stark difference in behavior for DSB yield when compared to cell dose highlights the importance of evaluating more complex radiobiological quantities rather than dose alone when evaluating the radiosensitization properties from metallic nanomaterials. The nucleus dose showed similar characteristics to the DSB yield demonstrating the ability of the method to predict DNA damage and its relationship with nuclear dose. The proposed method provides a way to explore the radiobiological mechanisms of radiation-induced DNA damages, and it aids to evaluate the physical radiosensitization properties of GNP-aided radiotherapy, which can be easily combined with radiochemical DSB quantitation in order to better understand the intricate DNA damage induction mechanisms that are involved in GNP-aided radiotherapy.

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“…These models, which adopt either the dielectric response function approach or other hybrid approaches, undergo continuous development and refinement. Recently, track-structure models for gold nanoparticles have also been developed and will be incorporated in the upcoming Geant4-DNA releases [83][84][85]. It also includes modelling of the chemical stage [86] and offers various representations of DNA target structures to be used in DNA damage studies [87][88][89].…”

Section: Particle Track Structure Codesmentioning

confidence: 99%

Ionizing Radiation and Complex DNA Damage: Quantifying the Radiobiological Damage Using Monte Carlo Simulations

Chatzipapas

Papadimitroulas²,

Emfietzoglou

et al. 2020

Cancers

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Ionizing radiation is a common tool in medical procedures. Monte Carlo (MC) techniques are widely used when dosimetry is the matter of investigation. The scientific community has invested, over the last 20 years, a lot of effort into improving the knowledge of radiation biology. The present article aims to summarize the understanding of the field of DNA damage response (DDR) to ionizing radiation by providing an overview on MC simulation studies that try to explain several aspects of radiation biology. The need for accurate techniques for the quantification of DNA damage is crucial, as it becomes a clinical need to evaluate the outcome of various applications including both low- and high-energy radiation medical procedures. Understanding DNA repair processes would improve radiation therapy procedures. Monte Carlo simulations are a promising tool in radiobiology studies, as there are clear prospects for more advanced tools that could be used in multidisciplinary studies, in the fields of physics, medicine, biology and chemistry. Still, lot of effort is needed to evolve MC simulation tools and apply them in multiscale studies starting from small DNA segments and reaching a population of cells.

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

Cited by 62 publications

References 72 publications

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

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

Modeling gold nanoparticle radiosensitization using a clustering algorithm to quantitate DNA double‐strand breaks with mixed‐physics Monte Carlo simulation

Ionizing Radiation and Complex DNA Damage: Quantifying the Radiobiological Damage Using Monte Carlo Simulations

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