THE APPLICATION OF NEURAL NETWORK TECHNOLOGY BASED ON MEA-BP ALGORITHM IN THE PREDICTION OF MICRODOSIMETRIC QUALITIES.

The most abundant products of the interaction between radiation and matter are low-energy electrons, and the collisions between these electrons and biomolecules are the main initial source of radiation-based biological damage. To facilitate the rapid and accurate quantification of low-energy electrons (0.1-10 keV) in liquid water at different site diameters (1-2000 nm), this study obtained ${\overline{y}}_{\mathrm{F}}$ and ${\overline{y}}_{\mathrm{D}}$data for low-energy electrons under these conditions. This paper proposes a back-propagation (BP) neural network optimized by the mind evolutionary algorithm (MEA) to construct a prediction model and evaluate the corresponding prediction effect. The results show that the ${\overline{y}}_{\mathrm{F}}$ and ${\overline{y}}_{\mathrm{D}}$ values predicted by the MEA-BP neural network algorithm reach a training precision on the order of ${10}^{-8}$. The relative error range between the prediction results of the validated model and the Monte Carlo calculation results is 0.03-5.98% (the error range for single-energy electrons is 0.1-5.98%, and that for spectral distribution electrons is 0.03-4.4%).

Study of Total, Absorption, and 3He and 3H Production Cross Sections in 4He-proton Collisions.

Light ion breakup cross sections are important for studies of cosmic ray interactions in the inter-stellar medium or radiation protection considerations of energy deposition in shielding and tissues. Abrasion cross sections for heavy ion reactions have been modeled using the Glauber model in the large mass limit or Eikonal form of the optical potential model. Here we formulate an abrasion model for 4He fragmentation on protons using the Glauber model avoiding the large mass limit and include a model for final state interactions. Calculations of energy dependent total, absorption, elastic and breakup cross sections for 4He into 3He or 3H with proton targets are shown to be in good agreement with experiments for energies from 100 to 100,000 MeV/u. The Glauber model for light nuclei with and without a large mass limit approximation is shown to be in fair agreement above 300 MeV/u, however important differences occur at lower energies.

Cellular S-value evaluation based on real human cell models using the GATE MC package.

Exploring the spatial distribution of the energy loss of ionising radiation at the subcellular level is indispensable for evaluating the radiobiological effects of targeted radionuclide therapy accurately. Believing that S-values are important for obtaining the target dose, the Committee on Medical Internal Radiation Dose (MIRD) proposed a method to obtain the cellular dosimetric parameter. However, most available data on cellular S-values were calculated based on simple geometric models, such as ellipsoids or spheres, which do not accurately reflect biological reality. To investigate the influence of the cellular model on S-values, calculations were performed for two kinds of polygon-surface phantom models of realistic, individual human cells, the lung epithelial cell model (the B2B Phantom model) and the hepatocyte model (the Liver Phantom model), using the Monte Carlo (MC) software package GATE. To analyse the influence of cell geometry on the final S-value, the differences in the S-values between the realistic cell models and simple geometric sphere and ellipsoid models with similar volumes were calculated and compared for six different combinations of source and target regions. The irradiation conditions were 0.01-1.10 MeV monoenergetic electron sources and the Auger electronic therapy nuclides Ga-67, Tc-99m, In-111, I-125 and Tl-201, which are commonly used in nuclear medicine. The S-values calculated in this study are different from the results of the simple geometry models proposed by previous researchers. Two more precise polygon-surface phantom models of realistic, individual human cells were used, which provided more accurate information about the cell dose and will be very useful for the diagnostic application of radiotherapy in the future.

A new open-source GPU-based microscopic Monte Carlo simulation tool for the calculations of DNA damages caused by ionizing radiation --- Part I: Core algorithm and validation.

PURPOSE: Monte Carlo (MC) simulation of radiation interactions with water medium at physical, physicochemical, and chemical stages, as well as the computation of biologically relevant quantities such as DNA damages, are of critical importance for the understanding of microscopic basis of radiation effects. Due to the large problem size and many-body simulation problem in the chemical stage, existing CPU-based computational packages encounter the problem of low computational efficiency. This paper reports our development on a GPU-based microscopic Monte Carlo simulation tool gMicroMC using advanced GPU-acceleration techniques. METHODS: gMicroMC simulated electron transport in the physical stage using an interaction-by-interaction scheme to calculate the initial events generating radicals in water. After the physicochemical stage, initial positions of all radicals were determined. Simulation of radicals' diffusion and reactions in the chemical stage was achieved using a step-by-step model using GPU-accelerated parallelization together with a GPU-enabled box-sorting algorithm to reduce the computations of searching for interaction pairs and therefore improve efficiency. A multi-scale DNA model of the whole lymphocyte cell nucleus containing ~6.2 Gbp of DNA was built. RESULTS: Accuracy of physical stage simulation was demonstrated by computing stopping power and track length. The results agreed with published data and the data produced by GEANT4-DNA (version 10.3.3) simulations with 10 -20% difference in most cases. Difference of yield values of major radiolytic species from GEANT4-DNA results was within 10%. We computed DNA damages caused by monoenergetic 662 keV photons, approximately representing 137 Cs decay. Single-strand break (SSB) and double-strand break (DSB) yields were 196 ± 8 SSB/Gy/Gbp and 7.3 ± 0.7 DSB/Gy/Gbp, respectively, which agreed with the result of 188 SSB/Gy/Gbp and 8.4 DSB/Gy/Gbp computed by Hsiao et al. Compared to computation using a single CPU, gMicroMC achieved a speedup factor of ~540x using an NVidia TITAN Xp GPU card. CONCLUSIONS: The achieved accuracy and efficiency demonstrated that gMicroMC can facilitate research on microscopic radiation transport simulation and DNA damage calculation. gMicroMC is an open-source package available to the research community.

A new open-source GPU-based microscopic Monte Carlo simulation tool for the calculations of DNA damages caused by ionizing radiation - Part II: sensitivity and uncertainty analysis.

PURPOSE: Calculations of deoxyribonucleic acid (DNA) damages involve many parameters in the computation process. As these parameters are often subject to uncertainties, it is of central importance to comprehensively quantify their impacts on DNA single-strand break (SSB) and double-strand break (DSB) yields. This has been a challenging task due to the required large number of simulations and the relatively low computational efficiency using CPU-based MC packages. In this study, we present comprehensive evaluations on sensitivities and uncertainties of DNA SSB and DSB yields on 12 parameters using our GPU-based MC tool, gMicroMC. METHODS: We sampled one electron at a time in a water sphere containing a human lymphocyte nucleus and transport the electrons and generated radicals until 2 Gy dose was accumulated in the nucleus. We computed DNA damages caused by electron energy deposition events in the physical stage and the hydroxyl radicals at the end of the chemical stage. We repeated the computations by varying 12 parameters: (a) physics cross section, (b) cutoff energy for electron transport, (c)-(e) three branching ratios of hydroxyl radicals in the de-excitation of excited water molecules, (f) temporal length of the chemical stage, (g)-(h) reaction radii for direct and indirect damages, (i) threshold energy defining the threshold damage model to generate a physics damage, (j)-(k) minimum and maximum energy values defining the linear-probability damage model to generate a physics damage, and (l) probability to generate a damage by a radical. We quantified sensitivity of SSB and DSB yields with respect to these parameters for cases with 1.0 and 4.5 keV electrons. We further estimated uncertainty of SSB and DSB yields caused by uncertainties of these parameters. RESULTS: Using a threshold of 10% uncertainty as a criterion, threshold energy in the threshold damage model, maximum energy in the linear-probability damage model, and probability for a radical to generate a damage were found to cause large uncertainties in both SSB and DSB yields. The scaling factor of the cross section, cutoff energy, physics reaction radius, and minimum energy in the linear-probability damage model were found to generate large uncertainties in DSB yields. CONCLUSIONS: We identified parameters that can generate large uncertainties in the calculations of SSB and DSB yields. Our study could serve as a guidance to reduce uncertainties of parameters and hence uncertainties of the simulation results.

DNA strand breaks induced by electrons simulated with Nanodosimetry Monte Carlo Simulation Code: NASIC.

The method of Monte Carlo simulation is a powerful tool to investigate the details of radiation biological damage at the molecular level. In this paper, a Monte Carlo code called NASIC (Nanodosimetry Monte Carlo Simulation Code) was developed. It includes physical module, pre-chemical module, chemical module, geometric module and DNA damage module. The physical module can simulate physical tracks of low-energy electrons in the liquid water event-by-event. More than one set of inelastic cross sections were calculated by applying the dielectric function method of Emfietzoglou's optical-data treatments, with different optical data sets and dispersion models. In the pre-chemical module, the ionised and excited water molecules undergo dissociation processes. In the chemical module, the produced radiolytic chemical species diffuse and react. In the geometric module, an atomic model of 46 chromatin fibres in a spherical nucleus of human lymphocyte was established. In the DNA damage module, the direct damages induced by the energy depositions of the electrons and the indirect damages induced by the radiolytic chemical species were calculated. The parameters should be adjusted to make the simulation results be agreed with the experimental results. In this paper, the influence study of the inelastic cross sections and vibrational excitation reaction on the parameters and the DNA strand break yields were studied. Further work of NASIC is underway.

Comparison of direct DNA strand break simulated with different DNA models.

In Monte Carlo simulation of DNA damage, the geometric model of DNA is of great importance. To study the influence of DNA model on the simulation of DNA damage, three DNA models were utilised in this paper. They were a volume model and two atomic models with different parameters. A direct DNA strand break induced by low-energy electrons was simulated, respectively, with the three models. The results show that most of the energy depositions in the DNA segments do not lead to strand breaks. The simple single-strand break (SSB) tends to be the predominant damage type, and the contribution of complex double-strand break (DSB) to the total DSB cannot be neglected. Among the yields of all the three DNA target models applied here, the yields of the volume model are the highest, the yields of the atomic model with double van der Waals radii (r) take the second place, whereas the yields of the atomic model with single r come last. On average, the ratios of SSB yields are approximately equivalent to the corresponding ratios of the models' volume. However, there seems to be no clear relationship between the DSB yields and the models' volume.