O<sub>2</sub>and glutathione effects on water radiolysis:<i>a simulation study</i>

Colliaux, Anthony; Gervais, B.; Rodriguez-Lafrasse, Claire; Beuve, Michaël

doi:10.1088/1742-6596/261/1/012007

Cited by 13 publications

(9 citation statements)

References 40 publications

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“…Finally, the third stage consists in the diffusion and reaction of all the generated species. , It is simulated by means of a Kinetic MC algorithm . During this stage we take into account the presence of the solvated species by means of the method suggested by Green. , We consider thus a concentration of oxygen C O 2 = 0.26 mM associated to air pressure of 1 bar. The presence of O 2 has an important scavenging effect on the solvated electron, which, in turn, protects the HO • from reaction with the electron.…”

Section: Methodsmentioning

confidence: 99%

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

et al. 2020

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The description of the biological effects of ionizing radiation requires a good knowledge of the dose deposition processes at both the cellular and molecular scales. However, experimental studies on the energy deposition specificity of sub-keV electrons, produced by most radiations, including high-energy photons and heavy ions, are scarce. Soft Xrays (0.2-2 keV) are here used to probe the physical and physico-chemical events occurring upon exposure of liquid water to sub-keV electrons. Liquid water samples were irradiated with a monochromatic photon beam at the SOLEIL synchrotron. Hydroxyl radical quantification was conducted through HO • scavenging by benzoate to form fluorescent hydroxybenzoate. Yields of HO • radicals exhibit a minimum around 1.5 keV, in good agreement with indirect observation. Moreover, they are relatively independent of the benzoate concentration in the range investigated, which corresponds to scavenging times of 170 ns to 170 ps. These results provide evidence that sub-keV electrons behave as high linear energy transfer particles, since they are able to deposit tens to hundreds of electronvolts in nanometric volumes.

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Section: Methodsmentioning

confidence: 99%

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

et al. 2020

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“…In contrast to all other species, which are explicitly included in the code and treated with the step by step approach mentioned above, the molecular oxygen is assumed to be homogeneously distributed in the target and is treated as a continuum. This approximation, proposed by Pimblott et al [45], Green et al [46], is necessary to limit the computational cost of the simulations and has also been adopted by other authors [13,14,47,48]. The explicit introduction of the oxygen in the simulation would dramatically increase the computing time, even for very dilute solutions [45].…”

Section: Simulation Of Particle Track Evolution In Oxygenated Watermentioning

confidence: 99%

Impact of Target Oxygenation on the Chemical Track Evolution of Ion and Electron Radiation

Boscolo

Krämer

Fuß

et al. 2020

IJMS

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The radiosensitivity of biological systems is strongly affected by the system oxygenation. On the nanoscopic scale and molecular level, this effect is considered to be strongly related to the indirect damage of radiation. Even though particle track radiolysis has been the object of several studies, still little is known about the nanoscopic impact of target oxygenation on the radical yields. Here we present an extension of the chemical module of the Monte Carlo particle track structure code TRAX, taking into account the presence of dissolved molecular oxygen in the target material. The impact of the target oxygenation level on the chemical track evolution and the yields of all the relevant chemical species are studied in water under different irradiation conditions: different linear energy transfer (LET) values, different oxygenation levels, and different particle types. Especially for low LET radiation, a large production of two highly toxic species ( HO 2 • and O 2 • − ), which is not produced in anoxic conditions, is predicted and quantified in oxygenated solutions. The remarkable correlation between the HO 2 • and O 2 • − production yield and the oxygen enhancement ratio observed in biological systems suggests a direct or indirect involvement of HO 2 • and O 2 • − in the oxygen sensitization effect. The results are in agreement with available experimental data and previous computational approaches. An analysis of the oxygen depletion rate in different radiation conditions is also reported. The radiosensitivity of biological systems is strongly affected by the system oxygenation. On the nanoscopic scale and molecular level, this effect is considered to be strongly related to the indirect damage of radiation. Even though particle track radiolysis has been the object of several studies, still little is known about the nanoscopic impact of target oxygenation on the radical yields. Here we present an extension of the chemical module of the Monte Carlo particle track structure code TRAX, taking into account the presence of dissolved molecular oxygen in the target material. The impact of the target oxygenation level on the chemical track evolution and the yields of all the relevant chemical species are studied in water under different irradiation conditions: different linear energy transfer (LET) values, different oxygenation levels, and different particle types. Especially for low LET radiation, a large production of two highly toxic species ( HO 2 • and O 2 • − ), which is not produced in anoxic conditions, is predicted and quantified in oxygenated solutions. The remarkable correlation between the HO 2 • and O 2 • − production yield and the oxygen enhancement ratio observed in biological systems suggests a direct or indirect involvement of HO 2 • and O 2 • − in the oxygen sensitization effect. The results are in agreement with available experimental data and previous computational approaches. An analysis of the oxygen depletion rate in different radiation conditions is also reported.

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“…Our simulation tracked all chemical species up to 10 −6 s. At the end of the chemical stage, the so-called steady state is reached and the radiolytic yields reach asymptotic values[54,53]. Our method used to calculate the yields is described elsewhere[54,62,58]. The simulation parameters were taken from the work by Frongillo et al[53].…”

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confidence: 99%

Monte Carlo simulation of free radical production under keV photon irradiation of gold nanoparticle aqueous solution. Part I: Global primary chemical boost

Charfi

Chan

Dumont

et al. 2020

Radiation Physics and Chemistry

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O₂and glutathione effects on water radiolysis:a simulation study

Cited by 13 publications

References 40 publications

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

Impact of Target Oxygenation on the Chemical Track Evolution of Ion and Electron Radiation

Monte Carlo simulation of free radical production under keV photon irradiation of gold nanoparticle aqueous solution. Part I: Global primary chemical boost

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O2and glutathione effects on water radiolysis:a simulation study

Cited by 13 publications

References 40 publications

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

Soft X-ray Radiation and Monte Carlo Simulations: Good Tools to Describe the Radiation Chemistry of Sub-keV Electrons

Impact of Target Oxygenation on the Chemical Track Evolution of Ion and Electron Radiation

Monte Carlo simulation of free radical production under keV photon irradiation of gold nanoparticle aqueous solution. Part I: Global primary chemical boost

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O₂and glutathione effects on water radiolysis:a simulation study