Simulation of Micro-Nanodosimetry Spectra and Free Radicals in Hadrontherapy
This study focuses on the simulation of micro-nanodosimetry spectra and free radicals using Geant4-DNA and LPCHEM for ion beams in the context of biophysics models for treatment optimizations in hadrontherapy applications. The research involves the development and optimization of NanOx and MKM models for cell survival prediction to enhance treatments optimization and accurate biological dose estimation. Various tools and techniques are employed to generate output data, simulate biological dose distribution, and create biophysical models requiring specialized input data related to cell killing components, energy deposition, and OH yield at different scales.
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Presentation Transcript
Simulation of micro-nanodosimetryspectra and free radicals with Geant4-DNA and LPCHEM for ion beams Y. Ali, L. Auzel, C. Monini, J.M. L tang, E. Testa, L. Maigne, M. Beuve. 1
A study for Development and optimization of the Development and optimization of the NanOx NanOxand MKM models for cell survivals and MKM models for cell survivals prediction for prediction for hadrontherapy hadrontherapy A pluridisciplinary study Dosimetry Modeling Hadrontherapy Radiobiology Joint collaboration of laboratories ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 2
Context Biophysics models for treatment optimizations Biophysics models for treatment optimizations For hadrontherapy applications, biological dose prediction will enhance treatments optimization. What would be the tools for an accurate biological dose estimation? In which ways our work contribute to this purpose? 3 ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 3
Development and optimization of the NanOxand MKM models for cell survivals prediction for innovative radiotherapies My My PhD PhD timeline timeline INPUT DATA OUTPUT DATA FOR BIOPHYSICAL MODELS BIOLOGICAL DOSE CALCULATION FOR BIOPHYSICAL MODELS To generate the output data, To generate the output data, produced by the models and to produced by the models and to store them under an optimized store them under an optimized format. format. To develop the simulation tools for To develop the simulation tools for the production of the required input the production of the required input data for the MKM an data for the MKM an NanOx To simulate the biological dose To simulate the biological dose distribution at the patient scale distribution at the patient scale using the models output data using the models output data tables. tables. NanOxmodels. models. 4 4 ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS
Biophysical Models Biophysical models require several types of input data. Biophysical models require several types of input data. NanOx Microkinetic model Biological data , : constants of the linear and quadratic components of cell killing Biological data , : constants of the linear and quadratic components of cell killing Physical data z: specific energy deposited in a target N : targets distributed at micrometric and nanometric scales Physical data z: specific energy deposited in a target N : targets distributed at micrometric scale Chemical data Y : yield of OH at micrometric and nanometric scales C. Monini et al. (2010) Inaniwa T. et al. (2010) ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 5
The methodology BIOLOGICAL EXPERIMENTAL DATA INPUT DATA FOR BIOPHYSICAL MODELS BIOLOGICAL DATA Expertimental ? and ? are extracted from the cell survival fraction estimations. PHYSICAL DATA The specific energy distribution is simulated for micro/nanometric targets with G4-DNA and LPCHEM. OUTPUT DATA FOR BIOPHYSICAL MODELS CHEMICAL DATA Radiolytic species yields are simulated with G4-DNA and LPCHEM. BIOLOGICAL DOSE CALCULATION BIOPHYSICAL MODELS IN GATE The mathematical formalism of the models is implementated in GATE. BIOLOGICAL DOSE The biological dose is simulated for a patient scale irradiation. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 6
The methodology BIOLOGICAL EXPERIMENTAL DATA INPUT DATA FOR BIOPHYSICAL MODELS BIOLOGICAL DATA Expertimental ? and ? are extracted from the cell survival fraction estimations. PHYSICAL DATA The specific energy distribution is simulated for micro/nanometric targets with G4-DNA and LPCHEM. OUTPUT DATA FOR BIOPHYSICAL MODELS CHEMICAL DATA Radiolytic species yields are simulated with G4-DNA and LPCHEM. BIOLOGICAL DOSE CALCULATION BIOPHYSICAL MODELS IN GATE The mathematical formalism of the models is implementated in GATE. BIOLOGICAL DOSE The biological dose is simulated for a patient scale irradiation. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 7
How to simulate input physical data? LPCHEM and G4DNA Monte Carlo codes LPCHEM and G4DNA Monte Carlo codes Physics Models Simulated interactions Stored interactions Energies Electrons Protons Electrons Protons Ionizations Electronic excitation Vibrational excitation Attachment 80% of deposited energy, events relevant for the biological effect of radiation 10 keV to 100 keV 10 MeV to 250 MeV CDW-EIS calculations Ionization Excitation LPCHEM 1.11 Ionizations Electronic excitation Vibrational excitation Attachment G4DNA_Option0 G4DNA_Option 2 G4DNA_Option 6 10 keV to 100 keV 10 MeV to 100 MeV G4DNA 10.5 100% of deposited energy Ionization Excitation 8 ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 8
How to simulate input physical data? Methodology to estimate the specific energy probability distribution in micro and nano targets. ENERGY TRANSFER POINTS THE VOXELS THE TARGETS SPECIFIC ENERGY LPCHEM and G4DNA physical stages simulate the energy transfer points. We devide the irradiation volume into voxels. Targets are generated in the voxels containing energy transfer points. The probability distributions of specific energy are calculated. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 9
Results for input physical data Probability distribution of specific energies at micrometric and nanometric scales for electrons of 10 and 100 keV Micrometric Nanometric 10 BENCHMARKING MICRO- AND NANODOSIMETRY SPECTRA AND FREE RADICALS SIMULATED WITH GEANT4DNA AND LPCHEM FOR ION BEAMS ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 10
Results for input physical data Probability distribution of specific energies at micrometric and nanometric scales for protons of 10 and 100 MeV Micrometric Nanometric ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 11
The methodology BIOLOGICAL EXPERIMENTAL DATA INPUT DATA FOR BIOPHYSICAL MODELS BIOLOGICAL DATA Expertimental ? and ? are extracted from the cell survival fraction estimations. PHYSICAL DATA The specific energy distribution is simulated for micro/nanometric targets with G4-DNA and LPCHEM. OUTPUT DATA FOR BIOPHYSICAL MODELS CHEMICAL DATA Radiolytic species yields are simulated with G4-DNA and LPCHEM. BIOLOGICAL DOSE CALCULATION BIOPHYSICAL MODELS IN GATE The mathematical formalism of the models is implementated in GATE. BIOLOGICAL DOSE The biological dose is simulated for a patient scale irradiation. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 12
The methodology BIOLOGICAL EXPERIMENTAL DATA INPUT DATA FOR BIOPHYSICAL MODELS BIOLOGICAL DATA Expertimental ? and ? are extracted from the cell survival fraction estimations. PHYSICAL DATA The specific energy distribution is simulated for micro/nanometric targets with G4-DNA and LPCHEM. OUTPUT DATA FOR BIOPHYSICAL MODELS CHEMICAL DATA Radiolytic species yields are simulated with G4-DNA and LPCHEM. BIOLOGICAL DOSE CALCULATION BIOPHYSICAL MODELS IN GATE The mathematical formalism of the models is implementated in GATE. BIOLOGICAL DOSE The biological dose is simulated for a patient scale irradiation. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 13
LPCHEM AND G4DNA Radiochemical Radiochemical products products simulation simulation Toestimate the type, the quantity of free radicals with the chemistry modules PHYSICAL STAGE RADIOPHYSICAL STAGE CHEMICAL STAGE In the chemical stage, the radiochemical products interactions and their diffusion are simulated. LPCHEM and G4DNA physical stages simulate the energy transfer points. In the physicochemical stage, the radiochemical products are generated. ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 14
Results for input chemical data The yield of the hydroxyl radical for 100 MeV protons Protons 10 MeV Protons 10 MeV Protons 100 MeV Protons 100 MeV ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 15
How to simulate data input for a SOBP? The MediCyc 65MeV beamline from the Antoine Lacassagne center in Nice Representation of the measured dose of the vs. the GATE simulated dose for a SOBP. 24 mm of depth 110 100 90 Alpha version of the biological dose calculation for 1mm3 voxels 80 Maximum of dose 70 Dose (Gy) 60 50 40 30 20 10 0 0 5 10 15 Water depth (mm) 20 25 30 35 40 GATE Simulation 8.1 (Y. Ali, 2018) Ionisation chamber mesurements ( F. Smekens, 2017 ) ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 16
Results for input chemical data for a SOBP Thenumber of OH. radiolytic species for a SOBP at a depth of 24mm ALI YASMINE - SIMULATION OF MICRO- NANODOSIMETRY SPECTRA AND FREE RADICALS 17
Thank you. 18
