Experimental benchmark data for Monte Carlo simulated radiation effects of gold nanoparticles. Part II: Comparison of measured and simulated electron spectra from gold nanofoils

Electron emission spectra of a thin gold foil after photon interaction were measured over the energy range between 50 eV and 9500 eV to provide reference data for Monte Carlo radiation-transport simulations. Experiments were performed with the HAXPES spectrometer at the PETRA III high-brilliance beamline P22 at DESY (Hamburg, Germany) for photon energies just below and above each of the gold L-edges, i.e., at 11.9 keV, 12.0 keV, 13.7 keV, 13.8 keV, 14.3 keV, and 14.4 keV. The data were analyzed to obtain the absolute values of the particle radiance of the emitted electrons per incident photon flux. Simulations of the experiment were performed using the Monte Carlo radiation-transport codes Penelope and Geant4. Comparison of the measured and simulated results shows good qualitative agreement. When simulation results are convolved with curves that take into account the effect of lifetime broadening, line shapes of photoelectron and Auger peaks similar to those observed experimentally are obtained. On an absolute scale, the experiments tend to give higher electron radiance values at the lower photon energies studied as well as at the higher photon energies for electron energies below the energy of the Au L 3 photoelectron. This is attributed to the linear polarization of the photon beam in the experiments which is not considered in the simulation codes.

[1]  Hamburg,et al.  Experimental benchmark data for Monte Carlo simulated radiation effects of gold nanoparticles. Part I: Experiment and raw data analysis , 2022, 2212.04836.

[2]  S. Incerti,et al.  Status and Extension of the Geant4-DNA Dielectric Models for Application to Electron Transport , 2022, Frontiers in Physics.

[3]  M. Beuve,et al.  Consistency checks of results from a Monte Carlo code intercomparison for emitted electron spectra and energy deposition around a single gold nanoparticle irradiated by X-rays. , 2021, Radiation measurements.

[4]  M. Beuve,et al.  Intercomparison of Monte Carlo calculated dose enhancement ratios for gold nanoparticles irradiated by X-rays: Assessing the uncertainty and correct methodology for extended beams. , 2020, Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics.

[5]  D. Bradley,et al.  Metallic nanoparticle radiosensitization: The role of Monte Carlo simulations towards progress , 2020 .

[6]  E. Efstathopoulos,et al.  Monte Carlo studies in Gold Nanoparticles enhanced radiotherapy: The impact of modelled parameters in dose enhancement. , 2020, Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics.

[7]  Wei Bo Li,et al.  Corrigendum: Determining dose enhancement factors of high-Z nanoparticles from simulations where lateral secondary particle disequilibrium exists (2019 Phys. Med. Biol. 64 155016) , 2020, Physics in Medicine & Biology.

[8]  W. Beckham,et al.  Gold nanoparticle mediated radiation response among key cell components of the tumour microenvironment for the advancement of cancer nanotechnology , 2020, Scientific Reports.

[9]  M. Beuve,et al.  Theoretical derivation and benchmarking of cross sections for low-energy electron transport in gold , 2020, The European Physical Journal Plus.

[10]  M. Beuve,et al.  Intercomparison of dose enhancement ratio and secondary electron spectra for gold nanoparticles irradiated by X-rays calculated using multiple Monte Carlo simulation codes. , 2020, Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics.

[11]  Alain Coulais,et al.  GDL - GNU Data Language 0.9.9 , 2019 .

[12]  Wei Bo Li,et al.  Determining dose enhancement factors of high-Z nanoparticles from simulations where lateral secondary particle disequilibrium exists , 2019, Physics in medicine and biology.

[13]  S. Incerti,et al.  Electron track structure simulations in a gold nanoparticle using Geant4-DNA. , 2019, Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics.

[14]  A. Gloskovskii,et al.  The new dedicated HAXPES beamline P22 at PETRAIII , 2019 .

[15]  D Sakata,et al.  Geant4‐DNA example applications for track structure simulations in liquid water: A report from the Geant4‐DNA Project , 2018, Medical physics.

[16]  S. Incerti,et al.  Geant4-DNA track-structure simulations for gold nanoparticles: The importance of electron discrete models in nanometer volumes. , 2018, Medical physics.

[17]  Z. Kuncic,et al.  Nanoparticle radio-enhancement: principles, progress and application to cancer treatment , 2018, Physics in medicine and biology.

[18]  R. Bristow,et al.  Radiosensitization by gold nanoparticles: Will they ever make it to the clinic? , 2017, Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology.

[19]  David A Jaffray,et al.  Gold nanoparticles for applications in cancer radiotherapy: Mechanisms and recent advancements☆ , 2017, Advanced drug delivery reviews.

[20]  Ross Berbeco,et al.  Roadmap to Clinical Use of Gold Nanoparticles for Radiation Sensitization. , 2016, International journal of radiation oncology, biology, physics.

[21]  L Maigne,et al.  Track structure modeling in liquid water: A review of the Geant4-DNA very low energy extension of the Geant4 Monte Carlo simulation toolkit. , 2015, Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics.

[22]  D. Caruge,et al.  Recent Developments in Geant4 , 2014, ICS 2014.

[23]  S. Hahn,et al.  Gold nanoparticles in radiation research: potential applications for imaging and radiosensitization. , 2013, Translational cancer research.

[24]  Karl T. Butterworth,et al.  Physical basis and biological mechanisms of gold nanoparticle radiosensitization. , 2012, Nanoscale.

[25]  D. Hirst,et al.  Gold nanoparticles as novel agents for cancer therapy. , 2012, The British journal of radiology.

[26]  Giuseppe Schettino,et al.  Nanodosimetric effects of gold nanoparticles in megavoltage radiation therapy. , 2011, Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology.

[27]  Glenn R. Dickson,et al.  Biological consequences of nanoscale energy deposition near irradiated heavy atom nanoparticles , 2011, Scientific reports.

[28]  A. Mesbahi A review on gold nanoparticles radiosensitization effect in radiation therapy of cancer. , 2010, Reports of practical oncology and radiotherapy : journal of Greatpoland Cancer Center in Poznan and Polish Society of Radiation Oncology.

[29]  C Villagrasa,et al.  Comparison of GEANT4 very low energy cross section models with experimental data in water. , 2010, Medical physics.

[30]  P. Moretto,et al.  The Geant4-DNA Project , 2009, Int. J. Model. Simul. Sci. Comput..

[31]  M A Bernal,et al.  An investigation on the capabilities of the PENELOPE MC code in nanodosimetry. , 2009, Medical physics.

[32]  S. Incerti,et al.  Geant4 developments and applications , 2006, IEEE Transactions on Nuclear Science.

[33]  J. Hainfeld,et al.  The use of gold nanoparticles to enhance radiotherapy in mice. , 2004, Physics in medicine and biology.

[34]  Frank Scholze,et al.  Lack of proportionality of total electron yield and soft x-ray absorption coefficient , 2000 .

[35]  F. Scholze,et al.  Absolute total electron yield of Au(111) and Cu(111) surfaces , 1999 .

[36]  S. T. Perkins,et al.  Tables and graphs of electron-interaction cross sections from 10 eV to 100 GeV derived from the LLNL Evaluated Electron Data Library (EEDL), Z = 1--100 , 1991 .

[37]  J. H. Hubbell,et al.  Tables and graphs of atomic subshell and relaxation data derived from the LLNL Evaluated Atomic Data Library (EADL), Z=1-100 , 1991 .

[38]  S. Tougaard Quantitative Non-destructive In-depth Composition Information From XPS , 1986 .

[39]  S. Tougaard,et al.  Inelastic background intensities in XPS spectra , 1984 .