Monte Carlo investigation of the nucleus size effect and cell's oxygen content on the damage efficiency of protons.

Living tissues could suffer different types of DNA damage as a result of being exposed to ionizing radiations. Monte Carlo simulations of the underlying interactions have been instrumental in predicting the damage types and the processes involved. In this work, we employed Geant4-DNA and MCDS for extracting the initial DNA damage and investigating the dependence of damage efficiency on the cell's oxygen content. The frequency-mean lineal (y¯F) and specific (z¯F) energies were derived for a spherical volume of water of various diameters between 2 and 11.1 µm. This sphere would serve as the nucleus of a cell of 100 µm diameter, engulfed by a homogeneous beam of protons. These microdosimetric quantities were calculated assuming spherical samples of 1 µm diameter in MCDS. The simulation results showed that for 230 MeV protons, an increase in the oxygen content from 0 by 10% raised the frequency of single- and double-strand breaks and lowered the base damage frequency. The resulting damage frequencies appeared to be independent of nucleus diameter. For proton energies between 2 and 230 MeV,y¯Fshowed no dependence on the cell diameter and an increase of the cell size resulted in a decrease inz¯F.An increase in the proton energy slowed down the decreasing rate ofz¯Fas a function of nucleus diameter. However, the ratio ofy¯Fvalues corresponding to two proton energies of choice showed no dependence on the nucleus size and were equal to the ratio of the correspondingz¯Fvalues. Furthermore, the oxygen content of the cell did not affect these microdosimetric quantities. Contrary to damage frequencies, these quantities appeared to depend only on direct interactions due to deposited energies. Our calculations showed the near independence of DNA damages on the nucleus size of the human cells. The probabilities of different types of single and double-strand breaks increase with the oxygen content.

Background radioactivity level estimation and passive shield optimization using adjoint Monte Carlo method.

The current study proposes a procedure to estimate the activity concentration of natural radionuclides and to optimize passive shielding solutions for HPGe detectors using adjoint Monte Carlo (MC) simulation technique of Geant4 for the first time. The background spectrum is acquired for 1.56 × 106 s using an HPGe detector model (GC3020), set inside a shielding solution, during 2021-2022 to estimate the activity concentration of natural radionuclides inside the shielding. While, a background spectrum for 65,000 s is acquired with shielding removed to estimate the concentration of natural radionuclides in the building materials of the laboratory. The detector design used in the simulations is validated by comparing computed and measured Full Energy Peak Efficiency (FEPE) for point sources 241Am, 152Eu, 137Cs, 133Ba, and 60Co. Adjoint MC simulations are used to compute the activity concentration of natural radionuclides assuming an isotropic distribution. The activity concentration of 40K, 226Ra and 232Th in the building material is found to be 524 ± 140, 83 ± 20 and 65 ± 18 Bqkg-1, respectively. The computed values are found in good agreement with the published data. The natural radioactivity levels of 40K, 226Ra and 232Th measured in lead shielding are 155.7 ± 0.1 mBqkg-1, 24 ± 13 mBqkg-1 and 33 ± 17 mBqkg-1 respectively. The radiological risks arising due to natural radioactivity is assessed by calculating radium equivalent activity (Raeq), indoor radiation hazard index (Hin) and annual effective dose equivalent. All the radiological parameters are found below their permissible limits and building materials may be considered radiologically safe. The optimal lead shield thickness for the detector is determined to be 12 cm, resulting in reduction of background signal by two orders of magnitude compared to an unshielded detector. The adjoint MC simulations in Geant4 are 103-104 times more rapid as compared to normal simulations for shield optimization of HPGe detectors and therefore, are identified as viable computing solution to calculate the activity of the background radiation.

Optimization and shielding design of a thermal neutron device based on D-D neutron generator with Geant4 toolkit.

Neutron activation analysis is a highly sensitive non-destructive testing technique with important applications in industry, geoscience, medical therapy, etc. This work designed and optimized a thermal neutron device that utilized a portable D-D neutron generator, and the Monte Carlo method with the Geant4 toolkit was applied to simulation. The objective of the optimized design is to maximize the thermal neutron flux at the output surface and increase the utilization efficiency of the neutron generator. A parameter K was defined as a measure of the device's slowing capacity for neutrons and was used to determine the optimized device geometry. The simulation considered the contribution of different types and sizes of moderators and reflectors to the thermal neutron intensity to obtain the optimal size. The shielding protection of the device was then designed. The effectiveness of shielding with different thicknesses was evaluated using three dose reference points. The results indicated that the optimized device can achieve a maximum thermal neutron flux of 1.97 × 105 n∙cm-2∙s-1 at the output surface by using high-density polyethylene (HDPE) as the moderator and nickel as the reflector. It was determined that using 45 cm of HDPE and 9 cm of lead protection in sequence along the neutron head axis would reduce the dose rate at the reference point, located 5 cm from the surface of the device, below the safety limit of 2.5 µSv/h.

Design and Computational Validation of γ-Ray Shielding Effectiveness in Heavy Metal/Rare Earth Oxide-Natural Rubber Composites.

This study involved the preparation of natural rubber-based composites incorporating varying proportions of heavy metals and rare earth oxides (Sm2O3, Ta2O5, and Bi2O3). The investigation analyzed several parameters of the samples, including mass attenuation coefficients (general, photoelectric absorption, and scattering), linear attenuation coefficients (µ), half-value layers (HVLs), tenth-value layers (TVLs), mean free paths (MFPs), and radiation protection efficiencies (RPEs), utilizing the Monte Carlo simulation software Geant4 and the WinXCom database across a gamma-ray energy spectrum of 40-150 keV. The study also compared the computational discrepancies among these measurements. Compared to rubber composites doped with single-component fillers, multi-component mixed shielding materials significantly mitigate the shielding deficiencies observed with single-component materials, thereby broadening the γ-ray energy spectrum for which the composites provide effective shielding. Subsequently, the simulation outcomes were juxtaposed with experimental data derived from a 133Ba (80 keV) γ-source. The findings reveal that the simulated results align closely with the experimental observations. When compared to the WinXCom database, the Geant4 software demonstrates superior accuracy in deriving radiation shielding parameters and notably enhances experimental efficiency.

Radiosensitization with metallic nanoparticles under MeV proton beams: local dose enhancement.

In addition to specific dosimetric properties of protons, their higher biological effectiveness makes them superior to X-rays and gamma radiation, in radiation therapy. In recent years, enrichment of tumours with metallic nanoparticles as radiosensitizer agents has generated high interest, with several studies attempting to confirm the efficacy of nanoparticles in proton therapy. In the present study Geant4 Monte Carlo (MC) code was used to quantify the increased nanoscopic dose deposition of 50 nm metallic nanoparticles including gold, bismuth, iridium, and gadolinium in water upon exposure to 5, 25, and 50 MeV protons. Dose enhancement factors, radial dose distributions in nano-scale, as well as secondary electron and photon energy spectra were calculated for the studied nanoparticles and proton beams. The obtained results demonstrated that in the presence of metallic nanoparticles an increase in proton energy leads to a decrease in secondary electron and photon production yield. Additionally, an increase in the radial dose enhancement factor from 1.4 to 16 was calculated for the studied nanoparticles when the proton energy was increased from 5 to 50 MeV. It is concluded that the dosimetric advantages of proton beams could be improved significantly in the presence of metallic nanoparticles.

Exploring green environmental composites as hosts for shielding materials using experimental, theoretical and Geant4 simulation methods.

Rice straw is considered an agricultural waste harmful to the environment, which is abundant in most parts of the world. From this point, the present study is devoted to preparing new composites of two types of glue based on rice straw as a plentiful, low-cost matrix. Straw glue samples were prepared by mixing 20% wt. of rice straw with 80% wt. of animal glue (RS-An) and polyvinyl acetate (RS-PVAC) at different thicknesses of 1, 2, and 3 cm. The chemical composition of the prepared samples was identified by energy dispersive X-ray analysis and their morphology was examined using a scanning electron microscope. The mechanical test explored that RS-An and RS-PVAC respectively required a stress of 25.2 and 25.5 MPa before reaching the breaking point. γ-ray shielding performance was analyzed and determined at numerous photon energies from 0.059 to 1.408 MeV emitted from five-point γ-rays sources using NaI (Tl). Linear attenuation coefficient was calculated by obtaining the area under the peak of the energy spectrum observed from Genie 2000 software in the presence and absence of the sample. The experimental results of mass attenuation coefficient were compared with theoretical data of XCOM software with relative deviation ranging from 0.10 to 2.99%. Geant4 Monte Carlo simulation code was also employed to validate the experimental results. The relative deviation of XCOM and Geant4 outcomes was 0.09-1.77%, which indicates a good agreement between them. Other radiation shielding parameters such as half value layer (HVL), tenth value layer, and mean free path were calculated in three ways: experimentally, theoretically from the XCOM database, and by simulation using Geant4 code. Additionally, effective atomic number (Zeff), effective atomic number (Neff), equivalent atomic number (Zeq), and buildup factors were evaluated. It was confirmed that the γ-ray shielding properties were further boosted by mixing rice straw with the animal glue compared to the synthetic one.

Evaluation of TOPAS MC tool performance in optical photon transport and radioluminescence-based dosimetry.

Radiation therapy plays a pivotal role in modern cancer treatment, demanding precise and accurate dose delivery to tumor sites while minimizing harm to surrounding healthy tissues. Monte Carlo simulations have emerged as indispensable tools for achieving this precision, offering detailed insights into radiation transport and interaction at the subatomic level. As the use of scintillation and luminescence dosimetry becomes increasingly prevalent in radiation therapy, there arises a need for validated Monte Carlo tools tailored to optical photon transport applications. In this paper, an evaluation process of the TOPAS (TOol for PArticle Simulation) Monte Carlo tool for Cerenkov light generation, optical photon transport and radioluminescence based dosimetry is presented. Three distinct sources of validation data are utilized: one from a published set of experimental results and two others from simulations performed with the Geant4 code. The methodology employed for evaluation includes the selection of benchmark experiments, making use of opt3 and opt4 Geant4 physics models and simulation setup, with observed slight discrepancies within the calculation uncertainties. Additionally, the complexities and challenges associated with modeling optical photons generation through luminescence or Cerenkov radiation and their transport are discussed. The results of our evaluation suggests that TOPAS can be used to reliably predict Cerenkov generation, luminescence phenomenon and the behavior of optical photons in common dosimetry scenarios.

Monte Carlo simulations of microdosimetry and radiolytic species production at long time post proton irradiation using GATE and Geant4-DNA.

BACKGROUND: Radiobiological effectiveness of radiation in cancer treatment can be studied at different scales (molecular till organ scale) and different time post irradiation. The production of free radicals and reactive oxygen species during water radiolysis is particularly relevant to understand the fundamental mechanisms playing a role in observed biological outcomes. The development and validation of Monte Carlo tools integrating the simulation of physical, physico-chemical and chemical stages after radiation is very important to maintain with experiments. PURPOSE: Therefore, in this study, we propose to validate a new Geant4-DNA chemistry module through the simulation of water radiolysis and Fricke dosimetry experiments on a proton preclinical beam line. MATERIAL AND METHODS: In this study, we used the GATE Monte Carlo simulation platform (version 9.3) to simulate a 67.5 MeV proton beam produced with the ARRONAX isochronous cyclotron (IBA Cyclone 70XP) at conventional dose rate (0.2 Gy/s) to simulate the irradiation of ultra-pure liquid water samples and Fricke dosimeter. We compared the depth dose profile with measurements performed with a plane parallel Advanced PTW 34045 Markus ionization chamber. Then, a new Geant4-DNA chemistry application proposed from Geant4 version 11.2 has been used to assess the evolution of HO • ${\mathrm{HO}}^ \bullet $ , e aq - ${\mathrm{e}}_{{\mathrm{aq}}}^ - $ , H 3 O + ${{\mathrm{H}}}_3{{\mathrm{O}}}^ + $ , H 2 O 2 ${{\mathrm{H}}}_2{{\mathrm{O}}}_2$ , H 2 ${{\mathrm{H}}}_2$ , HO 2 • ${\mathrm{HO}}_2^ \bullet $ , HO 2 - , O 2 • - ${\mathrm{HO}}_2^ - ,{\mathrm{\ O}}_2^{ \bullet - }$ and HO - ${\mathrm{HO}}^ - $ reactive species along time until 1-h post-irradiation. In particular, the effect of oxygen and pH has been investigated through comparisons with experimental measurements of radiolytic yields for H 2 O 2 ${{\mathrm{H}}}_2{{\mathrm{O}}}_2$ and Fe3+. RESULTS: GATE simulations reproduced, within 4%, the depth dose profile in liquid water. With Geant4-DNA, we were able to reproduce experimental H 2 O 2 ${{\mathrm{H}}}_2{{\mathrm{O}}}_2$ radiolytic yields 1-h post-irradiation in aerated and deaerated conditions, showing the impact of small changes in oxygen concentrations on species evolution along time. For the Fricke dosimeter, simulated G(Fe3+) is 15.97 ± 0.2 molecules/100 eV which is 11% higher than the measured value (14.4 ± 04 molecules/100 eV). CONCLUSIONS: These results aim to be consolidated by new comparisons involving other radiolytic species, such as e aq - ${\mathrm{e}}_{{\mathrm{aq}}}^ - $ or , O 2 • - $,{\mathrm{\ O}}_2^{ \bullet - }$ to further study the mechanisms underlying the FLASH effect observed at ultra-high dose rates (UHDR).

Monte Carlo-Based Nanoscale Dosimetry Holds Promise for Radiopharmaceutical Therapy Involving Auger Electron Emitters.

Radiopharmaceutical therapy (RPT) is evolving as a promising strategy for treating cancer. As interest grows in short-range particles, like Auger electrons, understanding the dose-response relationship at the deoxyribonucleic acid (DNA) level has become essential. In this study, we used the Geant4-DNA toolkit to evaluate DNA damage caused by the Auger-electron-emitting isotope I-125. We compared the energy deposition and single strand break (SSB) yield at each base pair location in a short B-form DNA (B-DNA) geometry with existing simulation and experimental data, considering both physical direct and chemical indirect hits. Additionally, we evaluated dosimetric differences between our high-resolution B-DNA target and a previously published simple B-DNA geometry. Overall, our benchmarking results for SSB yield from I-125 decay exhibited good agreement with both simulation and experimental data. Using this simulation, we then evaluated the SSB and double strand break (DSB) yields caused by a theranostic Br-77-labeled poly ADP ribose polymerase (PARP) inhibitor radiopharmaceutical. The results indicated a predominant contribution of chemical indirect hits over physical direct hits in generating SSB and DSB. This study lays the foundation for future investigations into the nano-dosimetric properties of RPT.

"dsbandrepair" - An updated Geant4-DNA simulation tool for evaluating the radiation-induced DNA damage and its repair.

PURPOSE: Interdisciplinary scientific communities have shown large interest to achieve a mechanistic description of radiation-induced biological damage, aiming to predict biological results produced by different radiation quality exposures. Monte Carlo track-structure simulations are suitable and reliable for the study of early DNA damage induction used as input for assessing DNA damage. This study presents the most recent improvements of a Geant4-DNA simulation tool named "dsbandrepair". METHODS: "dsbandrepair" is a Monte Carlo simulation tool based on a previous code (FullSim) that estimates the induction of early DNA single-strand breaks (SSBs) and double-strand breaks (DSBs). It uses DNA geometries generated by the DNAFabric computational tool for simulating the induction of early single-strand breaks (SSBs) and double-strand breaks (DSBs). Moreover, the new tool includes some published radiobiological models for survival fraction and un-rejoined DSB. Its application for a human fibroblast cell and human umbilical vein endothelial cell containing both heterochromatin and euchromatin was conducted. In addition, this new version offers the possibility of using the new IRT-syn method for computing the chemical stage. RESULTS: The direct and indirect strand breaks, SSBs, DSBs, and damage complexity obtained in this work are equivalent to those obtained with the previously published simulation tool when using the same configuration in the physical and chemical stages. Simulation results on survival fraction and un-rejoined DSB are in reasonable agreement with experimental data. CONCLUSIONS: "dsbandrepair" is a tool for simulating DNA damage and repair, benchmarked against experimental data. It has been released as an advanced example in Geant4.11.2.

Nanoscale gold nanoparticle (GNP)-laden tumor cell model and its use for estimation of intracellular dose from GNP-induced secondary electrons.

BACKGROUND: Gold nanoparticles (GNPs) accumulated within tumor cells have been shown to sensitize tumors to radiotherapy. From a physics point of view, the observed GNP-mediated radiosensitization is due to various downstream effects of the secondary electron (SE) production from internalized GNPs such as GNP-mediated dose enhancement. Over the years, numerous computational investigations on GNP-mediated dose enhancement/radiosensitization have been conducted. However, such investigations have relied mostly on simple cellular geometry models and/or artificial GNP distributions. Thus, it is at least desirable, if not necessary, to conduct further investigations using cellular geometry models that properly reflect realistic cell morphology as well as internalized GNP distributions at the nanoscale. PURPOSE: The primary aim of this study was to develop a nanometer-resolution geometry model of a GNP-laden tumor cell for computational investigations of GNP-mediated dose enhancement/radiosensitization. The secondary aim was to demonstrate the utility of this model by quantifying GNP-induced SE tracks/dose distribution at sub-cellular levels for further validation of a nanoscopic dose point kernel (nDPK) method against full-fledged Geant4 Monte Carlo (MC) simulation. METHODS: A transmission electron microscopy (TEM) image of a single cell showing cytoplasm, cellular nucleus, and internalized GNPs in the cellular endosome was segmented into sub-cellular levels based on pixel value thresholding. A corresponding material density was allocated to each pixel, and, by adding a thickness, each pixel was transformed to a geometric voxel and imported as a Geant4-acceptable input geometry file. In Geant4-Penelope MC simulation, a clinical 6 MV photon beam was applied, vertically or horizontally to the cell surface, and energy deposition to the cellular nucleus and cytoplasm, due to SEs emitted by internalized GNPs, was scored. Next, nDPK calculations were performed by generating virtual electron tracks from each GNP voxel to all nucleus and cytoplasm voxels. Subsequently, another set of Geant4 simulation was performed with both Penelope and DNA physics models under the geometry closely mimicking in vitro cell irradiation with a clinical 6 MV photon beam, allowing for derivation of nDPK specific to this geometry and further comparison between Gean4 simulation and nDPK method. RESULTS: The Geant4-calculated SE tracks and associated energy depositions showed significant dependence on photon incidence angle. For perpendicular incidence, nDPK results showed good agreement (average percentage pixel-to-pixel difference of 0.4% for cytoplasm and 0.5% for nucleus) with Geant4 results, while, for parallel incidence, the agreement became worse (-1.7%-0.7% for cytoplasm and -5.5%-0.8% for nucleus). Under the 6 MV cell irradiation geometry, nDPK results showed reasonable agreement (pixel-to-pixel Pearson's product moment correlation coefficient of 0.91 for cytoplasm and 0.98 for nucleus) with Geant4 results. CONCLUSIONS: The currently developed TEM-based model of a GNP-laden cell offers unprecedented details of realistic intracellular GNP distributions for nanoscopic computational investigations of GNP-mediated dose enhancement/radiosensitization. A benchmarking study performed with this model showed reasonable agreement between Geant4- and nDPK-calculated intracellular dose deposition by SEs emitted from internalized GNPs, especially under perpendicular incidence - a popular cell irradiation geometry and when the Geant4-Penelope physics model was used.

Review of chemical models and applications in Geant4-DNA: Report from the ESA BioRad III Project.

A chemistry module has been implemented in Geant4-DNA since Geant4 version 10.1 to simulate the radiolysis of water after irradiation. It has been used in a number of applications, including the calculation of G-values and early DNA damage, allowing the comparison with experimental data. Since the first version, numerous modifications have been made to the module to improve the computational efficiency and extend the simulation to homogeneous kinetics in bulk solution. With these new developments, new applications have been proposed and released as Geant4 examples, showing how to use chemical processes and models. This work reviews the models implemented and application developments for modeling water radiolysis in Geant4-DNA as reported in the ESA BioRad III Project.

A comparative Monte Carlo simulation study on shielding features of the CaF2-CaO-B2O3-P2O5-SrO-Ta2O5 glass system against X-ray by GEANT4 and MCNPX codes.

Regarding to their unique physical and mechanical features, glasses and glass-ceramics are suitable materials for shielding purposes. The present study evaluates the shielding properties of the CaF2-CaO-B2O3-P2O5-SrO-Ta2O5 glass system using Monte Carlo GEANT4 and MCNPX codes for X-ray radiations with an energy range of 20 to 100 keV. MAC values of the Ta0, Ta1, Ta2, Ta2.5, and Ta3 samples of the CaF2-CaO-B2O3-P2O5-SrO-Ta2O5 glass were computed using Phy-X/PSD, GEANT4, and MCNPX codes and compared. According to the results, the programs have good compatibility with each other. For instance, in the energy of 40 keV and for the Ta2 sample, GEANT4 and MCNP codes are 1.445765406 and 1.517801204 cm2/g, respectively, indicating 7.419529525 and 2.829628418% differences with 1.562 cm2/g obtained using the Phy-X/PSD software. According to recent estimations, the Ta3 sample of the CaF2-CaO-B2O3-P2O5-SrO-Ta2O5 glass system can be selected as the best shield compared with the other samples.

High-Spatial-Resolution Benchtop X-ray Fluorescence Imaging through Bragg-Diffraction-Based Focusing with Bent Mosaic Graphite Crystals: A Simulation Study.

X-ray fluorescence imaging (XFI) can localize diagnostic or theranostic entities utilizing nanoparticle (NP)-based probes at high resolution in vivo, in vitro, and ex vivo. However, small-animal benchtop XFI systems demonstrating high spatial resolution (variable from sub-millimeter to millimeter range) in vivo are still limited to lighter elements (i.e., atomic number Z≤45). This study investigates the feasibility of focusing hard X-rays from solid-target tubes using ellipsoidal lens systems composed of mosaic graphite crystals with the aim of enabling high-resolution in vivo XFI applications with mid-Z (42≤Z≤64) elements. Monte Carlo simulations are performed to characterize the proposed focusing-optics concept and provide quantitative predictions of the XFI sensitivity, in silico tumor-bearing mice models loaded with palladium (Pd) and barium (Ba) NPs. Based on simulation results, the minimum detectable total mass of PdNPs per scan position is expected to be on the order of a few hundred nanograms under in vivo conform conditions. PdNP masses as low as 150 ng to 50 ng could be detectable with a resolution of 600 µm when imaging abdominal tumor lesions across a range of low-dose (0.8 µGy) to high-dose (8 µGy) exposure scenarios. The proposed focusing-optics concept presents a potential step toward realizing XFI with conventional X-ray tubes for high-resolution applications involving interesting NP formulations.

Dose and DNA damage modelling of diffusing alpha-emitters radiation therapy using Geant4.

PURPOSE: Diffusing alpha-emitters radiation therapy (DaRT) is a brachytherapy technique using α-particles to treat solid tumours. The high linear energy transfer (LET) and short range of α-particles make them good candidates for the targeted treatment of cancer. Treatment planning of DaRT requires a good understanding of the dose from α-particles and the other particles released in the 224Ra decay chain. METHODS: The Geant4 Monte Carlo toolkit has been used to simulate a DaRT seed to better understand the dose contribution from all particles and simulate the DNA damage due to this treatment. RESULTS: Close to the seed α-particles deliver the majority of dose, however at radial distances greater than 4 mm, the contribution of ß-particles is greater. The RBE has been estimated as a function of number of double strand breaks (DSBs) and complex DSBs. A maximum seed spacing of 5.5 mm and 6.5 mm was found to deliver at least 20 Gy RBE weighted dose between the seeds for RBEDSB and RBEcDSB respectively. CONCLUSIONS: The DNA damage changes with radial distance from the seed and has been found to become less complex with distance, which is potentially easier for the cell to repair. Close to the seed α-particles contribute the majority of dose, however the contribution from other particles cannot be neglected and may influence the choice of seed spacing.

Ionization Detail Parameters for DNA Damage Evaluation in Charged Particle Radiotherapy: Simulation Study Based on Cell Survival Database.

Details of excitation and ionization acts hide a description of the biological effects of charged particle traversal through living tissue. Nanodosimetry enables the introduction of novel quantities that characterize and quantify the particle track structure while also serving as a foundation for assessing biological effects based on this quantification. This presents an opportunity to enhance the planning of charged particle radiotherapy by taking into account the ionization detail. This work uses Monte Carlo simulations with Geant4-DNA code for a wide variety of charged particles and their radiation qualities to analyze the distribution of ionization cluster sizes within nanometer-scale volumes, similar to DNA diameter. By correlating these results with biological parameters extracted from the PIDE database for the V79 cell line, a novel parameter R2 based on ionization details is proposed for the evaluation of radiation quality in terms of biological consequences, i.e., radiobiological cross section for inactivation. By incorporating the probability p of sub-lethal damage caused by a single ionization, we address limitations associated with the usually proposed nanodosimetric parameter Fk for characterizing the biological effects of radiation. We show that the new parameter R2 correlates well with radiobiological data and can be used to predict biological outcomes.

A Geant4-based Monte Carlo X-ray imaging simulation platform.

X-ray digital radiography plays a pivotal role in accessing the internal structure of objects. Nevertheless, key imaging parameters, such as source-to-target distance or number of projected images needed for three-dimensional construction, mostly rely on real-life trials thus increasing radiation exposure risks. This paper introduces a recently developed software platform known as GMAX (Geant4-based Monte Carlo Advanced X-ray) that helps addressing above issues from a simulation perspective. GMAX employs Geant4, a Monte Carlo simulation code at its core and facilitates high-fidelity X-ray imaging, requiring no prior user experience. Compared to CAD models that only reflect object's geometrical information, GMAX simulates how objects interact with photon and can accurately evaluate important imaging parameters, such as target object to detector distance. It also provides three-dimensional construction functionality for images and therefore could be used as an effective tool for X-ray non-destructive testing and inspection.

Improving the detection limit in lung counting with a segmented HPGe detector.

A segmented High-Purity Germanium (HPGe) detector with a thin front segment together with various active and passive shield configurations was simulated with the aim of reducing the level of background events in lung counting applications. Eight different detector models were tested in a Geant4 simulation environment in a scenario where inhaled 241Am activity was deposited in the lungs of an ICRP adult reference computational phantom. In lung counting measurements, the Compton continuum in the spectrum is generated by the natural and man-made radionuclides inside the human body and the natural background radiation from the environment. The reduction in Minimum Detectable Activity (MDA) using the segmented HPGe detector combined with an active shield compared to a model with a single germanium crystal was investigated. A reduction in MDA up to 30% and 66% was obtained for internal and external sources, respectively. The results show that the detection limit and/or the measurement time in lung counting can be reduced using such a detector configuration. Furthermore, combining the segmented HPGe detector with an active shield would be particularly useful in field measurements.

A quantitative assessment of Geant4 for predicting the yield and distribution of positron-emitting fragments in ion beam therapy.

Objective.To compare the accuracy with which different hadronic inelastic physics models across ten Geant4 Monte Carlo simulation toolkit versions can predict positron-emitting fragments produced along the beam path during carbon and oxygen ion therapy.Approach.Phantoms of polyethylene, gelatin, or poly(methyl methacrylate) were irradiated with monoenergetic carbon and oxygen ion beams. Post-irradiation, 4D PET images were acquired and parent11C,10C and15O radionuclides contributions in each voxel were determined from the extracted time activity curves. Next, the experimental configurations were simulated in Geant4 Monte Carlo versions 10.0 to 11.1, with three different fragmentation models-binary ion cascade (BIC), quantum molecular dynamics (QMD) and the Liege intranuclear cascade (INCL++) - 30 model-version combinations. Total positron annihilation and parent isotope production yields predicted by each simulation were compared between simulations and experiments using normalised mean squared error and Pearson cross-correlation coefficient. Finally, we compared the depth of the maximum positron annihilation yield and the distal point at which the positron yield decreases to 50% of peak between each model and the experimental results.Main results.Performance varied considerably across versions and models, with no one version/model combination providing the best prediction of all positron-emitting fragments in all evaluated target materials and irradiation conditions. BIC in Geant4 10.2 provided the best overall agreement with experimental results in the largest number of test cases. QMD consistently provided the best estimates of both the depth of peak positron yield (10.4 and 10.6) and the distal 50%-of-peak point (10.2), while BIC also performed well and INCL generally performed the worst across most Geant4 versions.Significance.The best predictions of the spatial distribution of positron annihilations and positron-emitting fragment production along the beam path during carbon and oxygen ion therapy was obtained using Geant4 10.2.p03 with BIC or QMD. These version/model combinations are recommended for future heavy ion therapy research.

A mechanistic simulation of induced DNA damage in a bacterial cell by X- and gamma rays: a parameter study.

Mechanistic Monte Carlo simulations calculating DNA damage caused by ionizing radiation are highly dependent on the simulation parameters. In the present study, using the Geant4-DNA toolkit, the impact of different parameters on DNA damage induced in a bacterial cell by X- and gamma-ray irradiation was investigated. Three geometry configurations, including the simple (without DNA details), the random (a random multiplication of identical DNA segments), and the fractal (a regular replication of DNA segments using fractal Hilbert curves), were simulated. Also, three physics constructors implemented in Geant4-DNA, i.e., G4EmDNAPhysics_option2, G4EmDNAPhysics_option4, and G4EmDNAPhysics_option6, with two energy thresholds of 17.5 eV and 5-37.5 eV were compared for direct DNA damage calculations. Finally, a previously developed mathematical model of cell repair called MEDRAS (Mechanistic DNA Repair and Survival) was employed to compare the impact of physics constructors on the cell survival curve. The simple geometry leads to undesirable results compared to the random and fractal ones, highlighting the importance of simulating complex DNA structures in mechanistic simulation studies. Under the same conditions, the DNA damage calculated in the fractal geometry was more consistent with the experimental data. All physics constructors can be used alternatively with the fractal geometry, provided that an energy threshold of 17.5 eV is considered for recording direct DNA damage. All physics constructors represent a similar behavior in generating cell survival curves, although the slopes of the curves are different. Since the inverse of the slope of a bacterial cell survival curve (i.e., the D10-value) is highly sensitive to the simulation parameters, it is not logical to determine an optimal set of parameters for calculating the D10-value by Monte Carlo simulation.