Monte Carlo Methods to Model Radiation Interactions and Induced Damage

Muñoz, Antonio; Fuß, Martina; Cortés‐Giraldo, M. A.; Incerti, S.; Ivanchenko, V.; Ivanchenko, A.; Quesada, J. M.; Salvat, F.; Champion, C.; García, Gustavo

doi:10.1007/978-94-007-2564-5_13

Cited by 12 publications

(6 citation statements)

References 65 publications

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“…The visualization of the geometry was performed using the view3dscene () open-source software under the GNU free documentation license that also served as a verification tool of the simulation program. The visualization of the physical processes was carried out using a homemade application, which was originally designed for the low energy particle track structure code (LEPTS) nanodosimetry software [61]. Simulations were carried out at the Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT) computer cluster.…”

Section: Methodsmentioning

confidence: 99%

Radio-Enhancing Properties of Bimetallic Au:Pt Nanoparticles: Experimental and Theoretical Evidence

Salado-Leza

Traore

Porcel

et al. 2019

IJMS

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The use of nanoparticles, in combination with ionizing radiation, is considered a promising method to improve the performance of radiation therapies. In this work, we engineered mono- and bimetallic core-shell gold–platinum nanoparticles (NPs) grafted with poly (ethylene glycol) (PEG). Their radio-enhancing properties were investigated using plasmids as bio-nanomolecular probes and gamma radiation. We found that the presence of bimetallic Au:Pt-PEG NPs increased by 90% the induction of double-strand breaks, the signature of nanosize biodamage, and the most difficult cell lesion to repair. The radio-enhancement of Au:Pt-PEG NPs were found three times higher than that of Au-PEG NPs. This effect was scavenged by 80% in the presence of dimethyl sulfoxide, demonstrating the major role of hydroxyl radicals in the damage induction. Geant4-DNA Monte Carlo simulations were used to elucidate the physical processes involved in the radio-enhancement. We predicted enhancement factors of 40% and 45% for the induction of nanosize damage, respectively, for mono- and bimetallic nanoparticles, which is attributed to secondary electron impact processes. This work contributed to a better understanding of the interplay between energy deposition and the induction of nanosize biomolecular damage, being Monte Carlo simulations a simple method to guide the synthesis of new radio-enhancing agents.

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Section: Methodsmentioning

confidence: 99%

Radio-Enhancing Properties of Bimetallic Au:Pt Nanoparticles: Experimental and Theoretical Evidence

Salado-Leza

Traore

Porcel

et al. 2019

IJMS

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“…The study of electron transport in dense gases and liquids is of interest in understanding the fundamental microscopic scattering processes involved, and to technological applications including liquid-state electronics [1], high-energy particle detectors [2][3][4][5], plasma medicine [6][7][8][9] and radiation dosimetry [10][11][12][13]. For these technologies, the maximization of their effectiveness requires a detailed understanding of the full spatio-temporal behavior of electrons in dense gases, liquids, and other bio-structures, typically under non-equilibrium conditions.…”

Section: Introductionmentioning

confidence: 99%

A multi-term solution of the space–time Boltzmann equation for electrons in gases and liquids

Boyle

Tattersall

Cocks

et al. 2017

Plasma Sources Sci. Technol.

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In a recent paper [1] the scattering and transport of excess electrons in liquid argon in the hydrodynamic regime was investigated, generalizing the seminal works of Lekner and Cohen [2, 3] with modern scattering theory techniques and kinetic theory. In this paper, the discussion is extended to the non-hydrodynamic regime through the development of a full multi-term space-time solution of Boltzmann's equation for electron transport in gases and liquids using a novel operator-splitting method. A Green's function formalism is considered that enables flexible adaptation to various experimental systems. The spatio-temporal evolution of electrons in liquids in the hydrodynamic regime is studied for a benchmark model Percus-Yevick liquid as well as for liquid argon. The temporal evolution of Franck-Hertz oscillations are observed for liquids, with striking differences in the spatio-temporal development of the velocity distribution function components between the uncorrelated gas and true liquid approximations in argon. Transport properties calculated from the non-hydrodynamic theory in the long time limit, and under steady-state Townsend conditions, are benchmarked against hydrodynamic transport coefficients. arXiv:1509.00867v1 [physics.comp-ph] 31 Aug 2015

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“…The Geant4-DNA (Very Low Energy) models (Incerti, Ivanchenko, Karamitros et al 2010, Incerti, Baldacchino, Bernal et al 2010, Karamitros et al 2012) or other track structure algorithms (e.g. Friedland et al 2011) are capable of modelling the discrete interactions of electrons down to the eV scale, a regime where a significant amount of excitation and ionisation processes occur (Munoz et al 2012, Chauvie et al 2006), but the Geant4-DNA package is currently restricted to a liquid water medium.…”

Section: Resultsmentioning

confidence: 99%

Dose enhancement effects to the nucleus and mitochondria from gold nanoparticles in the cytosol

et al. 2016

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Gold nanoparticles (GNPs) have shown potential as dose enhancers for radiation therapy. Since damage to the genome affects the viability of a cell, it is generally assumed that GNPs have to localise within the cell nucleus. In practice, however, GNPs tend to localise in the cytoplasm yet still appear to have a dose enhancing effect on the cell. Whether this effect can be attributed to stress-induced biological mechanisms or to physical damage to extra-nuclear cellular targets is still unclear. There is however growing evidence to suggest that the cellular response to radiation can also be influenced by indirect processes induced when the nucleus is not directly targeted by radiation. The mitochondrion in particular may be an effective extra-nuclear radiation target given its many important functional roles in the cell. To more accurately predict the physical effect of radiation within different cell organelles, we measured the full chemical composition of a whole human lymphocytic JURKAT cell as well as two separate organelles; the cell nucleus and the mitochondrion. The experimental measurements found that all three biological materials had similar ionisation energies ~ 70 eV, substantially lower than that of liquid water ~ 78 eV. Monte Carlo simulations for 10 – 50 keV incident photons showed higher energy deposition and ionisation numbers in the cell and organelle materials compared to liquid water. Adding a 1% mass fraction of gold to each material increased the energy deposition by a factor of ~ 1.8 when averaged over all incident photon energies. Simulations of a realistic compartmentalised cell show that the presence of gold in the cytosol increases the energy deposition in the mitochondrial volume more than within the nuclear volume. We find this is due to sub-micron delocalisation of energy by photoelectrons, making the mitochondria a potentially viable indirect radiation target for GNPs that localise to the cytosol.

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Monte Carlo Methods to Model Radiation Interactions and Induced Damage

Cited by 12 publications

References 65 publications

Radio-Enhancing Properties of Bimetallic Au:Pt Nanoparticles: Experimental and Theoretical Evidence

Radio-Enhancing Properties of Bimetallic Au:Pt Nanoparticles: Experimental and Theoretical Evidence

A multi-term solution of the space–time Boltzmann equation for electrons in gases and liquids

Dose enhancement effects to the nucleus and mitochondria from gold nanoparticles in the cytosol

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