TY - JOUR A1 - Schröter, Maria-Astrid A1 - Meyer, Susann A1 - Hahn, Marc Benjamin A1 - Solomun, Tihomir A1 - Sturm, Heinz A1 - Kunte, Hans-Jörg T1 - Ectoine protects DNA from damage by ionizing radiation N2 - Ectoine plays an important role in protecting biomolecules and entire cells against environmental stressors such as salinity, freezing, drying and high temperatures. Recent studies revealed that ectoine also provides effective protection for human skin cells from damage caused by UV-A radiation. These protective properties make ectoine a valuable compound and it is applied as an active ingredient in numerous pharmaceutical devices and cosmetics. Interestingly, the underlying mechanism resulting in protecting cells from radiation is not yet fully understood. Here we present a study on ectoine and its protective influence on DNA during electron irradiation. Applying gel electrophoresis and atomic force microscopy, we demonstrate for the first time that ectoine prevents DNA strand breaks caused by ionizing electron radiation. The results presented here point to future applications of ectoine for instance in cancer radiation therapy. KW - Plasmid DNA pUC19 KW - Electron irradiation 30 [kV] KW - Effective irradiation dose 0.2-16 [Gy] KW - Gel electrophoresis KW - AFM intermittent contact KW - Radioprotector ectoine KW - Compatible solute PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-428287 DO - https://doi.org/10.1038/s41598-017-15512-4 SN - 2045-2322 VL - 7 IS - 1 SP - 15272, 1 EP - 15272, 7 PB - Nature AN - OPUS4-42828 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Ectoine protects biomolecules from ionizing radiation: Molecular mechanisms N2 - The compatible solute and osmolyte ectoine is an effective protectant of biomolecules and whole cells against heating, freezing and high salinity. The protection of cells (human Keratinocytes) by ectoine against ultraviolet radiation was also reported by various authors, although the underlying mechanism is not yet understood. We present results on the irradiation of biomolecules (DNA) with ionizing radiation (high energy electrons) in fully aqueous environment in the presence of ectoine and high salt concentrations. The results demonstrate an effective radiation protection of DNA by ectoine against the induction of single strand breaks by ionizing radiation. The effect is explained by an increased in low-energy electron scattering at the enhanced free-vibrational density of states of water due to ectoine, as well as the action of ectoine as an OH-radical scavenger. This was demonstrated by Raman spectroscopy, electron paramagnetic resonance (EPR) and Monte-Carlo simulations (Geant4). T2 - DPG-Frühjahrstagung der Sektion Kondensierte Materie gemeinsam mit der EPS CY - Berlin, Germany DA - 11.03.2018 KW - Ionizing radiation KW - Ectoine KW - Radiation damage KW - Radiation protection KW - Dosimetry KW - Ectoin KW - Ectoine radiation protection KW - Compatible solute KW - Osmolyte KW - Aqueous solution KW - OH-radical KW - Radical scavenger KW - Hydroxyl radical KW - Hydroxyectoine KW - Ectoine radical scavenger KW - Low energy electrons KW - Geant4 PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-446202 N1 - Poster basiert auf: https://nbn-resolving.org/urn:nbn:de:kobv:b43-419332 AN - OPUS4-44620 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cano Murillo, Natalia A1 - Ghasem Zadeh Khorasani, Media A1 - Silbernagl, Dorothee A1 - Hahn, Marc Benjamin A1 - Hodoroaba, Vasile-Dan A1 - Sturm, Heinz T1 - Nanomechanical study of polycarbonate/boehmite nanoparticles/epoxy ternary composite and their interphases N2 - Thermoplastic modified thermosets are of great interest especially due to their improved fracture toughness. Comparable enhancements have been achieved by adding different nanofillers including inorganic particles such as nanosized boehmite. Here, we present a nanomechanical study of two composite systems, the first comprising a polycarbonate (PC) layer in contact with epoxy resin (EP) and the second consisting of a PC layer containing boehmite nanoparticles (BNP) which is also in contact with an EP layer. The interaction between PC and EP monomer is tested by in situ Fourier transformed infrared (FT-IR) analysis, from which a reaction induced phase separation of the PC phase is inferred. Both systems are explored by atomic force microscopy (AFM) force spectroscopy. AFM force-distance curves (FDC) show no alteration of the mechanical properties of EP at the interface to PC. However, when a PC phase loaded with BNP is put in contact with an epoxy system during curing, a considerable mechanical improvement exceeding the rule of mixture was detected. The trend of BNP to agglomerate preferentially around EP dominated regions and the stiffening effect of BNP on EP shown by spatial resolved measurements of Young's modulus, suggest the effective presence of BNP within the EP phase. KW - Composites KW - Mechanical properties KW - Nanoparticles KW - Thermoplastics KW - Thermosets PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-515965 DO - https://doi.org/10.1002/app.50231 SN - 0021-8995 SN - 1097-4628 VL - 138 IS - 12 SP - 1 EP - 11 PB - Wiley CY - New York, NY AN - OPUS4-51596 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Measurement and Simulation of the Microscopic Energy Deposit: A general approach applicable to Ionizing Radiation Sources of varying Linear Energy Transfer N2 - The determination of microscopic dose-damage relations in aqueous environment is of fundamental interest for dosimetry and its application in radiation-therapy and protection. We present a combined experimental and simulational approach to quantify the microscopic energy deposit at biomolecules in liquid environment which is applicable to a wide range of primary radiation sources, e.g. photons, electrons or ions, and targets, such as DNA, proteins or cells.Therefore, we combine Geant4 particle-scattering simulations in water with calculations concerning the movement of biomolecules to obtain the energy deposit in the biologically relevant nanoscopic volume. We present, how to combine these simulational results and experimental data via a generalised damage model to determine the microscopic dose-damage relation at a molecular level. To show the viability of this approach, we apply this method to an experimentally challenging system, the direct irradiation of plasmid DNA (pUC19) in water with electrons as primary particles. Here we combine electron-scattering simulations with calculations concerning the diffusion and convection induced movement of the DNA, within a coarse-grained model of the irradiated liquid. Additionally a microscopic target model for DNA molecules based on the relation of lineal energy and radiation quality is used to calculate their effective target volume. It was found that on average fewer than two ionisations within a 7.5\,nm radius around the sugar-phosphate backbone are sufficient to cause a single strand break, with a corresponding median lethal energy deposit being E\textsubscript{1/2}=6+-4\,eV. The presented method is applicable for all types of ionising radiation and a broad variety of biological targets. T2 - CCQM Workshop CY - Paris, France DA - 09.04.2019 KW - Dosimetry KW - Microdosimetry KW - Geant4 KW - Geant4-DNA KW - DNA KW - Electron irradiation KW - Monte-Carlo Simulation PY - 2019 UR - https://www.bipm.org/utils/en/pdf/Workshop-CCQM2019-EP1.pdf AN - OPUS4-47810 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin A1 - Solomun, Tihomir A1 - Wellhausen, Robert A1 - Herrmann, S A1 - Seitz, H A1 - Meyer, Susann A1 - Kunte, Hans-Jörg A1 - Zeman, J. A1 - Uhlig, F A1 - Smiatek, J A1 - Sturm, Heinz T1 - Influence of the Compatible Solute Ectoine on the Local Water Structure: Implications for the Binding of the Protein G5P to DNA N2 - Microorganisms accumulate molar concentrations of compatible solutes like ectoine to prevent proteins from denaturation. Direct structural or spectroscopic information on the mechanism and about the hydration shell around ectoine are scarce. We combined surface plasmon resonance (SPR), confocal Raman spectroscopy, molecular dynamics simulations, and density functional theory (DFT) calculations to study the local hydration shell around ectoine and its influence on the binding of a gene-S-protein (G5P) to a single-stranded DNA (dT(25)). Due to the very high hygroscopicity of ectoine, it was possible to analyze the highly stable hydration shell by confocal Raman spectroscopy. Corresponding molecular dynamics simulation results revealed a significant change of the water dielectric constant in the presence of a high molar ectoine concentration as compared to pure water. The SPR data showed that the amount of protein bound to DNA decreases in the presence of ectoine, and hence, the protein-DNA dissociation constant increases in a concentration-dependent manner. Concomitantly, the Raman spectra in terms of the amide I region revealed large changes in the protein secondary structure. Our results indicate that ectoine strongly affects the molecular recognition between the protein and the oligonudeotide, which has important consequences for osmotic regulation mechanisms. KW - Aqueous solution KW - Biological structure KW - Raman spectroscopy KW - Organic osmolytes KW - High throughput KW - Gene-5 protein KW - Amino acid KW - Water structure PY - 2015 DO - https://doi.org/10.1021/acs.jpcb.5b09506 SN - 1520-6106 SN - 1089-5647 SN - 1520-5207 VL - 119 IS - 49 SP - 15212 EP - 15220 AN - OPUS4-35800 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Near-ambient-pressure Xray photoelectron spectroscopy (XPS) to monitor DNA radiation damage directly in water N2 - Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further. T2 - RADeleven CY - Herceg Novi, Montenegro DA - 19.06.2023 KW - Base damage KW - Base loss KW - Cancer treatment KW - DNA KW - DNA radiation damage KW - Direct damage KW - Dissociative electron attachment (DEA) KW - Dissociative electron transfer (DET) KW - Dosimetry KW - Double-strand break (DSB) KW - ESCA KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Hydrated DNA KW - Hydrated electron KW - Hydrated electrons KW - Hydration shell KW - Hydroxyl radical KW - Indirect damage KW - Ionisation KW - Ionization KW - LEE KW - DEA KW - DET KW - Low energy electrons KW - MCS KW - Microdosimetry KW - NAP-XPS KW - Near ambient pressure xray photo electron spectroscopy KW - Net-ionization reaction KW - OH radical KW - PES KW - Particle scattering KW - Prehydrated electron KW - Presolvated electron KW - Protein KW - Quasi-direct damage KW - ROS KW - Radiation damage KW - Radiation therapy KW - Radical KW - Radiolysis KW - Radiotherapy KW - Reactive oxygen species KW - Simulation KW - Single-strand break (SSB) KW - Single-stranded DNA-binding proteins KW - TOPAS KW - TOPAS-nbio KW - XPS KW - Xray photo electron spectrocopy PY - 2023 AN - OPUS4-57782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Simulational tools in nanoparticle research: Micromagnetics and particle scattering N2 - Simulational tools are applied to investigate the physical properties of nanoparticles. For the description of radioactive gold nanoparticles, particles scattering simulations are performed with the Geant4 monte carlo simulation toolkit. The temperature dependent behaviour of the magnetization dynamics of different magnetic nanoparticles are simulated with the object oriented micormagnetic framework (OOMMF). T2 - NanoBioAp CY - LLanes, Spain DA - 23.05.2019 KW - Monte Carlo KW - Monte-Carlo simulation KW - MCS KW - Nanoparticle KW - AuNP KW - Dosimetry KW - Radioactive NP KW - Microdosimetry KW - Geant4 KW - OOMMF KW - Micromagnetism KW - Simulation KW - Magnetic nanoparticle KW - LLG PY - 2019 AN - OPUS4-48110 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Geant4: A universal Monte-Carlo toolkit for Particle scattering simulations N2 - Particle scattering simulations are an useful tool to plan experiments, design detectors, estimate doses in irradiated materials and medical treatment planning. Geant4 is a Monte-Carlo toolkit for the simulation of of particles scattering in matter. Photons, electrons, ions etc can be simulated with energies in the eV to GeV range. Their interactions with matter in arbitrary scattering geometries be studied. Scattering models, cross sections and material parameters can be set to cover interactions in gas, liquid and solid state. The import of geometries from computer aided design files or the protein data base is possible. It is currently being applied in high energy and nuclear physics, accelerator and detector design, space application, dosimetry and medical sciences. In this first part of the talk a brief overview over the structure, functionality and possible applications of Geant4 will be given. In the second part an example application will be presented: The determination of the microscopic dose-damage relations in aqueous environment for electron irradiated plasmid DNA will be explained. Therefore, we combine electron scattering simulations in water with calculations concerning the movement of biomolecules to obtain the energy deposit in the biologically relevant nanoscopic volume. We present, how to combine these simulational results and experimental data via a generalized damage model to determine the microscopic dose-damage relation at a molecular level. T2 - Department 6 Seminar CY - Berlin, Germany DA - 04.04.2019 KW - Geant4 KW - Dosimetry KW - Microdosimetry KW - Radiation damage KW - Electron irradiation KW - Monte-Carlo Simulation KW - Monte-Carlo Simulations KW - DNA KW - Computer simulation KW - Geant4-DNA PY - 2019 AN - OPUS4-47819 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - The change of DNA AND PROTEIN radiation damage upon hydration: In-situ observations by near-ambient-pressure XPS N2 - X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. Our results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further. T2 - Dyson Conference 2023 CY - Prague, Czech Republic DA - 24.04.2023 KW - Base damage KW - Base loss KW - Cancer treatment KW - DNA KW - DNA radiation damage KW - Direct damage KW - Dissociative electron attachment (DEA) KW - Dissociative electron transfer (DET) KW - Dosimetry KW - Double-strand break (DSB) KW - ESCA KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - Hydrated DNA KW - Hydrated electron KW - Hydration shell KW - Hydroxyl radical KW - Indirect damage KW - Ionization KW - Ionisation KW - LEE KW - Low energy electrons KW - MCS KW - Microdosimetry KW - NAP-XPS KW - Near ambient pressure xray photo electron spectroscopy KW - Net-ionization reaction KW - OH radical KW - PES KW - Particle scattering KW - Prehydrated electron KW - Presolvated electron KW - Quasi-direct damage KW - ROS KW - Radiation damage KW - Radiation therapy KW - Radical KW - Radiolysis KW - Radiotherapy KW - Reactive oxygen species KW - Simulation KW - Single-strand break (SSB) KW - TOPAS KW - TOPAS-nbio KW - XPS KW - Xray KW - Xray photo electron spectrocopy KW - G5P KW - Protein KW - Single-stranded DNA-binding proteins PY - 2023 AN - OPUS4-57406 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - The change of DNA radiation damage upon hydration: In-situ observations by near-ambient-pressure XPS N2 - Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further. T2 - #RSCposter 2023 CY - Online meeting DA - 28.02.2023 KW - Cancer treatment KW - DNA KW - Dosimetry KW - Energy deposit KW - Geant4 KW - Geant4-DNA KW - TOPAS KW - TOPAS-nbio KW - particle scattering KW - Simulation KW - Radiolysis KW - Radiation therapy KW - Radiotherapy KW - LEE KW - Low energy electrons KW - MCS KW - Base damage KW - Base loss KW - DNA radiation damage KW - Direct damage KW - Dissociative electron transfer (DET) KW - Dissociative electron attachment (DEA) KW - Double-strand break (DSB) KW - Hydrated DNA KW - Hydrated electron KW - Ionization KW - Hydration shell KW - Hydroxyl radical KW - Indirect damage KW - Microdosimetry KW - NAP-XPS KW - Near ambient pressure xray photo electron spectroscopy KW - Net-ionization reaction KW - OH radical KW - PES KW - Prehydrated electron KW - Quasi-direct damage KW - Radiation damage KW - Radical KW - Reactive oxygen species KW - ROS KW - Single-strand break (SSB) KW - XPS KW - Xray KW - Xray photo electron spectrocopy KW - presolvated electron PY - 2023 UR - https://www.nature.com/articles/s42004-021-00487-1 AN - OPUS4-57063 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - The change of dna and protein radiation damage upon hydration: in-situ observations by near-ambient-pressure xps N2 - X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. Our results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further. Furthermore, first data about the degradation of single-stranded DNA binding-proteins (G5P / GV5 and hmtSSB) under vacuum and NAP-XPS conditions are presented. T2 - AVS69 CY - Portland, USA DA - 05.11.2023 KW - Base damage KW - Base loss KW - Cancer treatment KW - DNA KW - Protein KW - Proteins KW - Geant4 KW - Dosimetry KW - Microdosimetry KW - NAP-XPS KW - Xray photo electron spectrocopy KW - Radiation damage KW - Geant4-DNA KW - G5P KW - GVP KW - Hydroxyl radical KW - LEE KW - DEA KW - DET KW - ROS KW - Prehydrated electron KW - TOPAS KW - Near ambient pressure xray photo electron spectroscopy KW - SSB KW - DSB KW - Single-strand break (SSB) KW - ESCA KW - Single-stranded DNA-binding proteins KW - Reactive oxygen species PY - 2023 AN - OPUS4-58761 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hahn, Marc Benjamin A1 - Zutta Villate, Julian Mateo T1 - Radioactive gold nanoparticles for cancer treatment: Size and cluster dependent damage studied by Geant4 Monte-Carlo simulations N2 - Dose enhancement by gold nanoparticles (AuNP) was shown to increase the biological effectiveness of radiation damage in biomolecules and tissue. Most of the current studies focus on external beam therapy on combination with AuNP. Here we present a Monte-Carlo study (Geant4) to characterise radioactive AuNP. Radioactive ¹⁹⁸Au emits beta and gamma rays and is considered for applications with solid tumours. To effectively apply ¹⁹⁸AuNP their energy deposit characteristics have to be determined in terms of intrinsic and extrinsic properties e.g. AuNP diameter, AuNP density, and their clustering behaviour. After each decay process, the energy deposit, inelastic scattering events, kinetic energy spectrum of secondary particles within the AuNP themselves and in a spherical target volume of water up to 1 μm radius were determined. Simulations were performed for AuNP radii ranging from 2.5 nm to 20 nm radius, different cluster sizes and densities. The results show an increase of the energy deposit in the vicinity of the AuNP up to 150 nm. This effect nearly vanishes for distances up to one micron. For the case of AuNP clusters and the same activity, the enhancement of the energy deposit increases with the relative gold mass percentage and therefore can be adjusted by changing AuNP radius or clustering behaviour. KW - Gold Nanoparticles KW - AuNP KW - Radioactive decay KW - Beta decay KW - DNA KW - DNA damage KW - Radiation damage KW - MCS KW - Monte-Carlo simulation KW - Geant4 KW - Dosimetry KW - Microdosimetry KW - Cancer treatment KW - Radiationtherapy KW - Brachytherapy KW - OH radicals KW - LEE KW - low energy electrons KW - gamma ray KW - beta particle KW - radiolysis KW - clustered nanoparticles KW - NP KW - Simulation KW - particle scattering KW - Geant4-DNA KW - Energy deposit PY - 2019 DO - https://doi.org/10.1140/epjd/e2019-90707-x SN - 1434-6060 SN - 1434-6079 VL - 73 IS - 5 SP - 95, 1 EP - 7 PB - Springer CY - Berlin Heidelberg AN - OPUS4-47952 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -