Comparison and assessment of electron cross sections for Monte Carlo track structure codes.

The purpose of this study was to make an intercomparison and assessment of cross sections for electrons in water used in electron track structure codes. This study is intended to shed light on the extent to which the differences between the input data and physical and chemical assumptions influence the outcome in biophysical modeling of radiation effects. Ionization cross sections and spectra of secondary electrons were calculated by various theories. The analyses were carried out for water vapor cross sections, as these are more abundant and readily available. All suitable published experimental total ionization cross sections were fitted by an appropriate function and used for generation of electron tracks. Three sets of compiled data were used for comparison of total excitation cross sections and mean excitation energy. The tracks generated by a Monte Carlo track code, using various combinations of cross sections, were compared in terms of radial distributions of interactions and point kernels. The spectrum of secondary electrons emitted by the ionization process was found to be the factor that has the most influence on these quantities. A different set of cross sections for excitation and elastic scattering did not affect the electron track structure as much as did ionization cross sections. It is concluded that all codes, using different cross sections and in different phase, currently used for biophysical modeling exhibit close similarities for energy deposition in larger size targets while appreciable differences are observed in B-DNA-size targets. We recommend fitted functions to all available suitable experimental data for the total ionization and elastic cross sections. We conclude that most codes produce tracks in reasonable agreement with the macroscopic quantities such as total stopping power and total yield of strand breaks. However, we predict differences in frequencies of clustering in tracks from the different models.     

Radiation dose around a PET scanner installation: Comparison of Monte Carlo simulations,analytical calculations and experimental results

PurposeMonte Carlo study of radiation transmission around areas surrounding a PET room.MethodsAn extended population of patients administered with ¹⁸F-FDG for PET-CT investigations was studied, collecting air kerma rate and gamma ray spectra measurements at a reference distance. An MC model of the diagnostic room was developed, including the scanner and walls with variable material and thickness. MC simulations were carried out with the widely used code GEANT4.ResultsThe model was validated by comparing simulated radiation dose values and gamma ray spectra produced by a volumetric source with experimental measurements; ambient doses in the surrounding areas were assessed for different combinations of wall materials and shielding and compared with analytical calculations, based on the AAPM Report 108.In the range 1.5–3.0 times of the product between the linear attenuation coefficient and thickness of an absorber (μ x), it was observed that the effectiveness of different combinations of shielding is roughly equivalent. An extensive tabulation of results is given in the text.ConclusionsThe validation tests performed showed a satisfactory agreement between the simulated and expected results. The simulated dose rates incident on, and transmitted by the walls in our model of PET scanner room, are generally in good agreement with analytical estimates performed using the AAPM Publication No. 108 method. This provides an independent confirmation of AAPM's approach. Even in this specific field of application, GEANT4 proved to be a relevant and accurate tool for dosimetry estimates, shielding evaluation and for general radiation protection use.     

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

PurposeTargeted radiation therapy has seen an increased interest in the past decade. In vitro and in vivo experiments showed enhanced radiation doses due to gold nanoparticles (GNPs) to tumors in mice and demonstrated a high potential for clinical application. However, finding a functionalized molecular formulation for actively targeting GNPs in tumor cells is challenging. Furthermore, the enhanced energy deposition by secondary electrons around GNPs, particularly by short-ranged Auger electrons is difficult to measure. Computational models, such as Monte Carlo (MC) radiation transport codes, have been used to estimate the physical quantities and effects of GNPs. However, as these codes differ from one to another, the reliability of physical and dosimetric quantities needs to be established at cellular and molecular levels, so that the subsequent biological effects can be assessed quantitatively.MethodsIn this work, irradiation of single GNPs of 50 nm and 100 nm diameter by X-ray spectra generated by 50 and 100 peak kilovoltages was simulated for a defined geometry setup, by applying multiple MC codes in the EURADOS framework.ResultsThe mean dose enhancement ratio of the first 10 nm-thick water shell around a 100 nm GNP ranges from 400 for 100 kVp X-rays to 600 for 50 kVp X-rays with large uncertainty factors up to 2.3.ConclusionsIt is concluded that the absolute dose enhancement effects have large uncertainties and need an inter-code intercomparison for a high quality assurance; relative properties may be a better measure until more experimental data is available to constrain the models.     

Monte Carlo transport of swift protons and light ions in water: The influence of excitation cross sections,relativistic effects,and Auger electron emission in w-values

PurposeTo develop a particle transport code to compute w-values and stopping power of swift ions in liquid water and gases of interest for reference dosimetry in hadrontherapy. To analyze the relevance of inelastic and post-collisional processes considered.MethodsThe Monte Carlo code MDM was extended to the case of swift ion impact on liquid water (MDM-Ion). Relativistic corrections in the inelastic cross sections and the post-collisional Auger emission were considered. The effects of introducing different electronic excitation cross sections were also studied.ResultsThe stopping power of swift ions on liquid water, calculated with MDM-Ion, are in excellent agreement with recommended data. The w-values show a strong dependence on the electronic excitation cross sections and on the Auger electron emission. Comparisons with other Monte Carlo codes show the relevance of both the processes considered and of the cross sections employed. W and w-values for swift electron, proton, and carbon ions calculated with the MDM and MDM-Ion codes are in very close agreement with each other and with the 20.8 eV experimental value.ConclusionWe found that w-values in liquid water are independent of ion charge and energy, as assumed in reference dosimetry for hadrontherapy from sparse experimental results for electron and ion impact on gases. Excitation cross sections and Auger emission included in Monte Carlo codes are critical in w-values calculations. The computation of this physical parameter should be used as a benchmark for micro-dosimetry investigations, to assess the reliability of the cross sections employed.     

Evaluation of a commercial VMC++ Monte Carlo based treatment planning system for electron beams using EGSnrc/BEAMnrc simulations and measurements

In the present work, Monte Carlo (MC) models of electron beams (energies 4, 12 and 18 MeV) from an Elekta SL25 medical linear accelerator were simulated using EGSnrc/BEAMnrc user code. The calculated dose distributions were benchmarked by comparison with measurements made in a water phantom for a wide range of open field sizes and insert combinations, at a single source-to-surface distance (SSD) of 100 cm. These BEAMnrc models were used to evaluate the accuracy of a commercial MC dose calculation engine for electron beam treatment planning (Oncentra MasterPlan Treament Planning System (OMTPS) version 1.4, Nucletron) for two energies, 4 and 12 MeV. Output factors were furthermore measured in the water phantom and compared to BEAMnrc and OMTPS. The overall agreement between predicted and measured output factors was comparable for both BEAMnrc and OMTPS, except for a few asymmetric and/or small insert cutouts, where larger deviations between measurements and the values predicted from BEAMnrc as well as OMTPS computations were recorded. However, in the heterogeneous phantom, differences between BEAMnrc and measurements ranged from 0.5 to 2.0% between two ribs and 0.6–1.0% below the ribs, whereas the range difference between OMTPS and measurements was the same (0.5–4.0%) in both areas. With respect to output factors, the overall agreement between BEAMnrc and measurements was usually within 1.0% whereas differences up to nearly 3.0% were observed for OMTPS. This paper focuses on a comparison for clinical cases, including the effects of electron beam attenuations in a heterogeneous phantom. It, therefore, complements previously reported data (only based on measurements) in one other paper on commissioning of the VMC++ dose calculation engine.These results demonstrate that the VMC++ algorithm is more robust in predicting dose distribution than Pencil beam based algorithms for the electron beams investigated.     

Analyzing indirect secondary electron contrast of unstained bacteriophage T4 based on SEM images and Monte Carlo simulations

The indirect secondary electron contrast (ISEC) condition of the scanning electron microscopy (SEM) produces high contrast detection with minimal damage of unstained biological samples mounted under a thin carbon film. The high contrast image is created by a secondary electron signal produced under the carbon film by a low acceleration voltage. Here, we show that ISEC condition is clearly able to detect unstained bacteriophage T4 under a thin carbon film (10-15 nm) by using high-resolution field emission (FE) SEM. The results show that FE-SEM provides higher resolution than thermionic emission SEM. Furthermore, we investigated the scattered electron area within the carbon film under ISEC conditions using Monte Carlo simulation. The simulations indicated that the image resolution difference is related to the scattering width in the carbon film and the electron beam spot size. Using ISEC conditions on unstained virus samples would produce low electronic damage, because the electron beam does not directly irradiate the sample. In addition to the routine analysis, this method can be utilized for structural analysis of various biological samples like viruses, bacteria, and protein complexes.     

Configuration and validation of an analytical model predicting secondary neutron radiation in proton therapy using Monte Carlo simulations and experimental measurements

PurposeThis study focuses on the configuration and validation of an analytical model predicting leakage neutron doses in proton therapy.MethodsUsing Monte Carlo (MC) calculations, a facility-specific analytical model was built to reproduce out-of-field neutron doses while separately accounting for the contribution of intra-nuclear cascade, evaporation, epithermal and thermal neutrons. This model was first trained to reproduce in-water neutron absorbed doses and in-air neutron ambient dose equivalents, H*(10), calculated using MCNPX. Its capacity in predicting out-of-field doses at any position not involved in the training phase was also checked. The model was next expanded to enable a full 3D mapping of H*(10) inside the treatment room, tested in a clinically relevant configuration and finally consolidated with experimental measurements.ResultsFollowing the literature approach, the work first proved that it is possible to build a facility-specific analytical model that efficiently reproduces in-water neutron doses and in-air H*(10) values with a maximum difference less than 25%. In addition, the analytical model succeeded in predicting out-of-field neutron doses in the lateral and vertical direction. Testing the analytical model in clinical configurations proved the need to separate the contribution of internal and external neutrons. The impact of modulation width on stray neutrons was found to be easily adjustable while beam collimation remains a challenging issue. Finally, the model performance agreed with experimental measurements with satisfactory results considering measurement and simulation uncertainties.ConclusionAnalytical models represent a promising solution that substitutes for time-consuming MC calculations when assessing doses to healthy organs.     

Validation of a commercial TPS based on the VMC++ Monte Carlo code for electron beams: Commissioning and dosimetric comparison with EGSnrc in homogeneous and heterogeneous phantoms

The aim of the present work was the validation of the VMC⁺⁺ Monte Carlo (MC) engine implemented in the Oncentra Masterplan (OMTPS) and used to calculate the dose distribution produced by the electron beams (energy 5-12 MeV) generated by the linear accelerator (linac) Primus (Siemens), shaped by a digital variable applicator (DEVA). The BEAMnrc/DOSXYZnrc (EGSnrc package) MC model of the linac head was used as a benchmark.Commissioning results for both MC codes were evaluated by means of 1D Gamma Analysis (2%, 2 mm), calculated with a home-made Matlab (The MathWorks) program, comparing the calculations with the measured profiles. The results of the commissioning of OMTPS were good [average gamma index (γ) > 97%]; some mismatches were found with large beams (size ≥ 15 cm). The optimization of the BEAMnrc model required to increase the beam exit window to match the calculated and measured profiles (final average γ > 98%).Then OMTPS dose distribution maps were compared with DOSXYZnrc with a 2D Gamma Analysis (3%, 3 mm), in 3 virtual water phantoms: (a) with an air step, (b) with an air insert, and (c) with a bone insert.The OMTPD and EGSnrc dose distributions with the air-water step phantom were in very high agreement (γ ∼ 99%), while for heterogeneous phantoms there were differences of about 9% in the air insert and of about 10–15% in the bone region. This is due to the Masterplan implementation of VMC⁺⁺ which reports the dose as “dose to water”, instead of “dose to medium”.     

Effective dose in percutaneous transhepatic biliary drainage examination using PCXMC2.0 and MCNP5 Monte Carlo codes

ObjectivesTo estimate the organ equivalent doses and the effective doses (E) in patient undergoing percutaneous transhepatic biliary drainage (PTBD) examinations, using the MCNP5 and PCXMC2 Monte Carlo-based codes.MethodsThe purpose of this study is to estimate the organ doses to patients undergoing PTBD examinations by clinical measurements and Monte Carlo simulation. Dose area products (DAP) values were assessed during examination of 43 patients undergoing PTBD examination separated into groups based on the gender and the dimensions and location of the beam.ResultsMonte Carlo simulation of photon transport in male and female mathematical phantoms was applied using the MCNP5 and PCXMC2 codes in order to estimate equivalent organ doses. Regarding the PTBD examination the organ receiving the maximum radiation dose was the lumbar spine. The mean calculated H_T for the lumbar spine using the MCNP5 and PCXMC2 methods respectively, was 117.25 mSv and 131.7 mSv, in males. The corresponding doses were 139.45 mSv and 157.1 mSv respectively in females. The H_T values for organs receiving considerable amounts of radiation during PTBD examinations were varied between 0.16% and 73.2% for the male group and between 1.10% and 77.6% for the female group. E in females and males using MCNP5 and PCXMC2.0 was 5.88 mSv and 6.77 mSv, and 4.93 mSv and 5.60 mSv.ConclusionThe doses remain high compared to other invasive operations in interventional radiology. There is a reasonable good coincidence between the MCNP5 and PCXMC2.0 calculation for most of the organs.     

DNA strand breaks based on Monte Carlo simulation in and around the Lipiodol with flattening filter and flattening filter-free photon beams

BackgroundThe current study aims to investigate the DNA strand breaks based on the Monte Carlo simulation within and around the Lipiodol with flattening filter (FF) and flattening filter-free (FFF) photon beams.Materials and methodsThe dose-mean lineal energy (y_D) and DNA single- and double strand breaks (DSB/SSB) based on spatial patterns of inelastic interactions were calculated using the Monte Carlo code: particle and heavy ion transport system (PHITS). The ratios of dose using standard radiation (200 kVX) to the dose of test radiation (FF and FFF of 6 MV X-ray (6MVX) and 10 MVX beams) to produce the same biological effects was defined as RBE_DSB. The RBE_DSB within the Lipiodol and in the build-up and build-down regions was evaluated.ResultsThe RBE_DSB values with the Lipiodol was larger than that without the Lipiodol at the depth of 4.9 cm by 4.2% and 2.5% for 6 MVX FFF and FF beams, and 3.3% and 2.5% for 10 MVX FFF and FF beams. The RBE_DSB values with the Lipiodol was larger than that without the Lipiodol at the depth of 6.5 cm by 2.9% and 2.4% for 6 MVX FFF and FF beams, and 1.9% and 1.4% for 10 MVX FFF and FF beams. In the build-down region at the depth of 8.1 cm, the RBE_DSB values with the Lipiodol was smaller than that without the Lipiodol by 4.2% and 2.9% for 6 MVX FFF and FF beams, and 1.4% and 0.1% for 10 MVX FFF and FF beams.ConclusionsThe current study simulated the DNA strand break except for the physical dose difference. The lower and FFF beam occurred the higher biological effect.     

Monte Carlo simulations of individual variability and their effects on simulated heat stress using thermoregulatory modeling

This paper addresses a variable-dependence (VD) MC method developed based on a previous attempt (VI-MC method) (J. Therm. Biol. 29 (2004), 515) to be incorporated in a thermoregulatory model. Simulated individuals with anthropometrics by VI- and VD-MC methods for US Army population were compared using principal component analysis and Fisher's exact tests. The results indicated that VD-MC data represented overall body size as the primary component and body shape as the secondary component that were more realistic and similar to the measured US Army data (p>0.05) rather than VI-MC data (p<0.05). Such differences consequently affected individual thermoregulatory responses to simulated heat stress. The VD-MC method provides a more realistic representation of individual variability and thus underpins more realistic predictions of individual thermoregulatory responses.     

Monte Carlo dose in a prosthesis phantom based on exact geometry vs streak artefact contaminated CT data as benchmarked against Gafchromic film measurements

PurposeIn radiotherapy, accurate calculation of patient radiation dose is very important for good clinical outcome. In the presence of metallic implants, the dose calculation accuracy could be compromised by metal artefacts generated in computed tomography (CT) images of patients. This study investigates the influence of metal-induced CT artefacts on MC dose calculations in a pelvic prosthesis phantom.MethodsA pelvic phantom containing unilateral Ti prosthesis was CT-scanned and accurate Hounsfield unit (HU) values were assigned to known materials of the phantom as opposed to HU values produced through the artefact CT images of the phantom. Using the DOSXYZnrc MC code, dose calculations were computed in the phantom model constructed from the original CT images containing the artefacts and artefact-free images made from the exact geometry of the phantom with known materials. The dose calculations were benchmarked against Gafchromic EBT3 film measurements using 15 MeV electron and 10 MV photon beams.ResultsThe average deviations between film and MC dose data decreased from 3 ± 2% to 1 ± 1% and from about 6 ± 2% to 3 ± 1% for the artefact and artefact-free phantom models against film data for the electron and photon fields, respectively.ConclusionsFor the Ti prosthesis phantom, the presence of metal-induced CT artefacts could cause dose inaccuracies of about 3%. Construction of an artefact-free phantom model made from the exact geometry of the phantom with known materials to overcome the effect of artefacts is advantageous compared to using CT data directly of which the exact tissue composition is not well-known.     

Dosimetric impact of statistical uncertainty on Monte Carlo dose calculation algorithm in volumetric modulated arc therapy using Monaco TPS for three different clinical cases

AimTo study the dosimetric impact of statistical uncertainty (SU) per plan on Monte Carlo (MC) calculation in Monaco? treatment planning system (TPS) during volumetric modulated arc therapy (VMAT) for three different clinical cases.BackgroundDuring MC calculation SU is an important factor to decide dose calculation accuracy and calculation time. It is necessary to evaluate optimal acceptance of SU for quality plan with reduced calculation time.Materials and methodsThree different clinical cases as the lung, larynx, and prostate treated using VMAT technique were chosen. Plans were generated with Monaco? V5.11 TPS with 2% statistical uncertainty. By keeping all other parameters constant, plans were recalculated by varying SU, 0.5%, 1%, 2%, 3%, 4%, and 5%. For plan evaluation, conformity index (CI), homogeneity index (HI), dose coverage to PTV, organ at risk (OAR) dose, normal tissue receiving dose ≥5 Gy and ≥10 Gy, integral dose (NTID), calculation time, gamma pass rate, calculation reproducibility and energy dependency were analyzed.ResultsCI and HI improve as SU increases from 0.5% to 5%. No significant dose difference was observed in dose coverage to PTV, OAR doses, normal tissue receiving dose ≥5 Gy and ≥10 Gy and NTID. Increase of SU showed decrease in calculation time, gamma pass rate and increase in PTV max dose. No dose difference was seen in calculation reproducibility and dependent on energy.ConclusionFor VMAT plans, SU can be accepted from 1% to 3% per plan with reduced calculation time without compromising plan quality and deliverability by accepting variations in point dose within the target.     

Prediction of protein conformation in water and on surfaces by Monte Carlo simulations using united-atom method

The united-atom method has been used to model an avian pancreatic polypeptide (APP) in water and the adsorption process of an albumin subdomain (AS) onto graphite surface to observe the capability of this lumped modelling approach to generate structures observed in protein data bank (PDB) and from atomistic modelling. The subdomain structure of a protein is simplified by the united-atom approximation where the side chains and peptide groups are represented by lumped spheres. The total potential energy of the adsorption process involves the interaction between these lumped spheres by means of virtual bond chain interaction and the interaction of the spheres with the graphite surface by means of Lennard-Jones potential. The protein/polypeptide structure has been perturbed by Monte Carlo with energy minimisation to obtain the global minimum. Results on the APP in water showed a near-to-experimental PDB conformation revealing the two α-helix structures of this small protein molecule with the root mean square deviation among carbon backbone atoms of 5.9 Å. Protein adsorption on biosurfaces has been made by modelling AS, which has 60 amino acids. The surface is graphite, which is characterised by its hydrophobicity. Graphite was chosen because of its widely used applications in certain implants that interact with blood. Our simulation results showed final conformation close to that obtained by atomistic modelling. It also proved that the whole pattern of intramolecular hydrogen bonds was distorted. The model also demonstrated the random conformation of the original α-helix secondary structures of AS consistent with experimental and atomistic results. While atomistic simulation works well for simulating individual small proteins, the united-atom model is more efficient when simulating macromolecular and multiple protein adsorption where time and limiting computer capacity are key factors.     

Accurate electron inelastic cross sections and stopping powers for liquid water over the 0.1-10 keV range based on an improved dielectric description of the Bethe surface

Electron inelastic cross sections and stopping powers for liquid water over the 0.1-10 keV range are presented based on a recently developed dielectric response model for liquid water (D. Emfietzoglou, F. Cucinotta and H. Nikjoo, Radiat. Res. 164, 202-211, 2005) that is consistent with the experimental data over the whole energy-momentum plane. Both exchange and second-order Born corrections are included in a material-specific way using the dielectric functions of liquid water. The numerical results are fitted by simple analytic functions to facilitate their further use. Compared to previous studies, differential cross sections are shifted toward smaller energy losses resulting in smaller inelastic and stopping cross sections with differences reaching, on average, the approximately 20% and approximately 50% level, respectively. Contrary to higher energies, it is shown that the dispersion model for the momentum dependence of the dielectric functions (Bethe ridge) is as important as the optical model used. Within the accuracy of the experimental data (a few percent) upon which our dielectric model is based, the calculations are "exact" to first order, while the uncertainty of the results beyond first order is estimated at the 5-10% level. The present work overcomes the limitations of Bethe's theory at low energies by a self-consistent account of inner-shell effects and may serve to extend the ICRU electron stopping power database for liquid water down to 100 eV with a level of uncertainty similar to that for the higher-energy values.