TY - CONF A1 - Hahn, Marc Benjamin T1 - Particle Scattering Simulations with Geant4: An Overview N2 - A brief overview over the capabilities of Geant4 is provided together with some example applications T2 - Seminar of the bioanalysis group CY - Universidad Nacional de Colombia, Bogotá, Columbia DA - 03.02.2020 KW - Geant4 KW - Geant4-DNA KW - MCS KW - Simulation KW - Monte-Carlo simulation KW - Particle scattering simulation KW - Dosimetry KW - Xrays KW - Electrons KW - Radiation PY - 2020 AN - OPUS4-50332 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Hands on: Particle scattering simulations A practical introduction N2 - A practical introduction is given for the necessary steps to start with particle scattering simulations based on Geant4/Topas. T2 - Seminar of the bioanalysis group CY - Universidad Nacional de Colombia, Bogotá, Columbia DA - 04.02.2020 KW - Geant4 KW - Geant4-DNA KW - MCS KW - Monte-Carlo simulations KW - Simulations KW - Particle scattering simulation KW - Scattering KW - Topas PY - 2020 AN - OPUS4-50333 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin A1 - Zutta Villate, J. M. ED - Zutta Villate, J. M. T1 - Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement in cell organelles N2 - Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of Radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined. Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for future experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au. KW - AuNP KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - Ectoine KW - OH radicals KW - Radiation damage KW - Radiationtherapy KW - Radioactive decay KW - Simulation KW - Beta particle KW - Clustered nanoparticles KW - Gamma ray KW - Low energy electrons KW - Particle scattering KW - Radiolysis KW - Livermore model KW - Penelope model KW - TOPAS KW - TOPAS-nbio PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-523276 DO - https://doi.org/10.1038/s41598-021-85964-2 SN - 2045-2322 VL - 11 IS - 1 SP - 6721 PB - Springer Nature AN - OPUS4-52327 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin T1 - Accessing radiation damage to biomolecules on the nanoscale by particle-scattering simulations N2 - Radiation damage to DNA plays a central role in radiation therapy to cure cancer. The physico-chemical and biological processes involved encompass huge time and spatial scales. To obtain a comprehensive understanding on the nano and the macro scale is a very challenging tasks for experimental techniques alone. Therefore particle-scattering simulations are often applied to complement measurements and aide their interpretation, to help in the planning of experiments, to predict their outcome and to test damage models. In the last years, powerful multipurpose particle-scattering framework based on the Monte-Carlo simulation (MCS) method, such as Geant4 and Geant4-DNA, were extended by user friendly interfaces such as TOPAS and TOPAS-nBio. This shifts their applicability from the realm of dedicated specialists to a broader range of scientists. In the present review we aim to give an overview over MCS based approaches to understand radiation interaction on a broad scale, ranging from cancerous tissue, cells and their organelles including the nucleus, mitochondria and membranes, over radiosensitizer such as metallic nanoparticles, and water with additional radical scavenger, down to isolated biomolecules in the form of DNA, RNA, proteins and DNA-protein complexes. Hereby the degradation of biomolecules by direct damage from inelastic scattering processes during the physical stage, and the indirect damage caused by radicals during the chemical stage as well as some parts of the early biological response is covered. Due to their high abundance the action of hydroxyl radicals (•OH) and secondary low energy electrons (LEE) as well as prehydrated electrons are covered in additional detail. Applications in the prediction of DNA damage, DNA repair processes, cell survival and apoptosis, influence of radiosensitizer on the dose distribution within cells and their organelles, the study of linear energy transfer (LET), the relative biological effectiveness (RBE), ion beam cancer therapy, microbeam radiation therapy (MRT), the FLASH effect, and the radiation induced bystander effect are reviewed. KW - DNA KW - Protein KW - G5P KW - OH KW - Au KW - AuNP KW - Radiation KW - SSB KW - DSB KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - Particle scattering KW - Penelope model KW - Proteins KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radioactive decay KW - Radiolysis KW - Radiotherapy KW - Simulation KW - TOPAS KW - TOPAS-nbio KW - Base damage KW - Base loss KW - DNA radiation damage KW - Direct damage KW - Dissociative electron attachment (DEA) KW - Dissociative electron transfer (DET) KW - Double-strand break (DSB) KW - ESCA KW - Hydrated DNA KW - Hydrated electron KW - Hydration shell KW - Hydroxyl radical KW - Indirect damage KW - Ionization KW - Ionisation KW - NAP-XPS KW - Near ambient pressure xray photo electron spectroscopy KW - Net-ionization reaction KW - Prehydrated electron KW - Presolvated electron KW - Quasi-direct damage KW - ROS KW - Radical KW - Reactive oxygen species KW - Single-strand break (SSB) KW - XPS KW - Xray KW - Xray photo electron spectrocopy KW - Cosolute KW - Ectoin KW - Ectoine KW - GVP KW - Gene five protein KW - Hydroxyectoine KW - Ionizing radiation damage KW - OH radical scavenger KW - Monte-Carlo simulations KW - Nanodosimetry KW - Osmolyte KW - Particle scattering simulations KW - Protein unfolding KW - Radical Scavenge KW - Radical scavenger KW - Single-stranded DNA-binding proteins KW - SAXS KW - Bio-SAXS KW - X-ray scattering KW - ssDNA KW - dsDNA KW - FLASH effect KW - Bystander effect KW - Ion beam therapy KW - Bragg peak KW - LET KW - MCNP KW - Photons KW - Electrons KW - Carbon ions KW - MRT KW - RNA KW - RBE KW - base loss KW - abasic side KW - DMSO KW - Cells PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-573240 DO - https://doi.org/10.1088/2399-6528/accb3f SN - 2399-6528 VL - 7 IS - 4 SP - 042001 PB - Institute of Physics (IOP) Publishing CY - London AN - OPUS4-57324 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Combined experimental and simulational approaches to access radiation damage to DNA-Protein complexes N2 - We combine irradiation experiments at DNA, proteins and their complexes with Geant4 based particle-scattering simulations to understand the degradation mechanisms on a molecular level. T2 - High performance computing workshop CY - Allan, Jordan DA - 26.06.2023 KW - DNA KW - Protein KW - Radiadion damage KW - Geant4 KW - Geant4-DNA KW - MCS KW - Particle scattering simulations KW - gold nanoparticles PY - 2023 AN - OPUS4-57645 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Radiation biophysics N2 - We give an overview about our work related to radiation damage to DNA, proteins, and DNA-protiren complexes damage. Hereby the focus lies on the combination of experiments and Geant4 particle scattering simulations to understand effects in plasmid DNA pUC19, Oligos, and G5P protein. T2 - Project overview CY - Berlin, Germany DA - 27.09.2023 KW - DNA KW - Dosimetry KW - Proteins KW - Radiation damage KW - G5P KW - Microdosimetry KW - Ionizing radiation KW - Geant4 KW - TOPAS KW - TOPAS-nBio KW - Geant4-DNA KW - LEE KW - OH KW - Hydroxyl radical PY - 2023 AN - OPUS4-58742 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Radiation biophysics: a journey N2 - We give an overview about recent work concerning ionizing radiation damage to Oligonucleotides, plasmid DNA, DNA binding proteins (G5P), and DNA-protein complexes. We focus on combining new experimental setups with Geant4/TOPAS particle scattering simulations to understand the effets of ionizing radiation. T2 - Project update CY - Online meeting DA - 09.10.2023 KW - DNA KW - Proteins KW - G5P KW - Geant4 KW - Geant4-DNA KW - TOPAS KW - TOPAS-nBio KW - LEE KW - Dosimetry KW - Microdosimetry KW - Magnetism KW - Protein PY - 2023 AN - OPUS4-58744 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Direct electron irradiation of DNA in fully aqueous environment: Microscopic dose determination in combination with Monte-Carlo simulations N2 - Introduction: Ionizing radiation & DNA damage Experimental setup: Direct electron irradiation of DNA in liquid Monte-Carlo simulations: Electron scattering & diffusion Application: Radiation protection by compatible solutes T2 - Seminarvortrag im Joint Ultrafast Dynamics Laboratory in Solution and at Interfaces CY - Helmholtz-Zentrum Berlin, Germany DA - 14.06.2017 KW - DNA KW - Ectoine KW - Microdosimetry KW - Dosimetry KW - Radiation damage KW - Compatible solutes KW - Low energy electrons KW - Ionizing radiation KW - OH radical KW - Hydroxyl radicals KW - Prehydrated electrons KW - Radiation therapy KW - Cancer KW - Cancer therapy KW - Radiation protection KW - Proteins KW - Monte carlo simulations KW - Geant4 KW - Electron scattering PY - 2017 AN - OPUS4-42620 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Development of a standard procedure for the irradiation of biomolecules N2 - The damage caused by ionizing radiation to DNA and proteins is the reason to treat cancer by radiation therapy. A better understanding of the molecular processes and quantification of the different damaging mechanisms is the prerequisite to develop more efficient therapies. Hereby the understanding of the processes involved in the damage to DNA are of key interest due to its central role in reproduction and mutation. For radiation with low linear energy transfer (LET), most of the damage is caused by the secondary particles produced by scattering of the ionizing radiation with water. Thereby a multitude of species are produced, whereby especially kinetic low energy electrons, prehydrated electrons, OH-radicals and ions are of importance. With higher LET the relative amount of the direct damaging effects increases. This is especially important considering the increased usage of high LET nucleons in radiation therapy. Therefore, the quantification of the contribution to DNA damage of direct and indirect effects and the different secondary species is of high interest due to the increase of radio biological efficiency when applying high LET radiation. Here we present an approach to investigate the relative contributions to DNA strand break yield for radiation of different LET within a single electron microscope in combination with electron scattering simulations. T2 - IRPA 2018 CY - Havanna, Cuba DA - 16.04.2018 KW - DNA KW - Radiation damage KW - Ionizing radiation KW - Linear energy transfer KW - IRPA KW - LET KW - Electrons KW - SEM KW - Cancer therapy KW - OH radicals KW - LEE KW - Geant4 PY - 2018 AN - OPUS4-44821 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Combined cell and nanoparticle models for TOPAS to study radiation dose enhancement by Monte-Carlo based particle scattering Simulations N2 - Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined.[1] Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. [2] These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for ongoing experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au. T2 - #RSCposter 2023 CY - Online meeting DA - 28.02.2023 KW - AuNP KW - Beta decay KW - Brachytherapy KW - Cancer treatment KW - Clustered nanoparticles KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - Livermore model KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - OH radical KW - Penelope model KW - Radiation damage KW - Radiation therapy KW - Radiationtherapy KW - Radiotherapy KW - Radioactive decay KW - Radiolysis KW - Simulation KW - TOPAS KW - TOPAS-nbio KW - beta particle KW - particle scattering PY - 2023 AN - OPUS4-57060 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -