Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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31828 Publications
Retention and multiphase transformation of selenium oxyanions during the formation of magnetite via ferrous hydroxide and green rust
Börsig, N.; Scheinost, A. C.; Shaw, S.; Schild, D.; Neumann, T.;
Environmental and health hazards of the trace element Se are mainly related to the presence of highly mobile Se oxyanion species (oxidation states +4 and +6). In this study, we investigate the immobilization of dissolved Se oxyanions during the formation process of magnetite by the progressive oxidation of an alkaline, anoxic Fe2+ system (pH 9.2). Up to initial concentrations of c(Se)0 = 10-3 mol/L (m/V ratio = 3.4 g/L), logRd values of xxxx demonstrate a strong retention of Se oxyanions during this mineral formation process. This Se immobilization is due to the reduction of Se(IV) or Se(VI), resulting in the precipitation of sparingly soluble Se compounds. By XRD analysis, these Se compounds were identified as crystalline elemental Se(0) that occurred in all coprecipitation products after the completed magnetite formation. The time-resolved analysis of the Se retention during the magnetite formation and detailed spectroscopic analyses (XPS, XAS) of the involved solid phases showed that the reduction takes place under the anoxic conditions in the early phase of the coprecipitation process by the interaction with iron(II) hydroxide and green rust. Both minerals represent the primary Fe(II)-containing precipitation products in the aquatic Fe2+ system and the precursor phases of the later formed magnetite. Spectroscopic and electron microscopic analysis prove that this early Se interaction leads to the formation of a nanoparticulate iron selenide phase [FeSe], which is oxidized and transformed into trigonal gray elemental Se during the progressive oxidation of the system. Regarding the retention behavior of Se, it is irrelevant whether the oxidation of the meta-stable iron oxide phases leads to the formation of magnetite only or also to other iron oxide phases like goethite. This reductive precipitation of Se induced by an interaction with metastable Fe(II)-containing iron oxide minerals should affect the mobility of Se oxyanions in contaminated environments, including the behavior of 79Se in the near-field of HLW repositories.
Keywords: selenite, selenate, selenide, iron oxide, reduction, oxidation, precipitation, immobilization, XPS, XAS, EXAFS


  • Secondary publication expected from 05.07.2019

Publ.-Id: 26093 - Permalink

Permutation-blocking path-integral Monte Carlo approach to the static density response of the warm dense electron gas
Dornheim, T.; Groth, S.; Vorberger, J.; Bonitz, M.;
The static density response of the uniform electron gas is of fundamental importance for numerous applications.
Here we employ the recently developed ab initio permutation blocking path integral Monte Carlo (PB-PIMC) technique [T. Dornheim et al., New J. Phys. 17, 073017 (2015)] to carry out extensive simulations of the harmonically perturbed electron gas at warm dense matter conditions. In particular, we investigate in detail the validity of linear response theory and demonstrate that PB-PIMC allows us to obtain highly accurate results for the static density response function and, thus, the static local field correction. A comparison with dielectric approximations to our new ab initio data reveals the need for an exact treatment of correlations. Finally, we consider a superposition of multiple perturbations and discuss the implications for the calculation of the static response function.
Keywords: warm dense matter, quantum monte carlo, response function, electron gas, fermion sign problem, linear response
  • Physical Review E 96(2017), 023203

Publ.-Id: 26091 - Permalink

Optical contrast formation in ta-C films by ion implantation
Berova, M.; Sandulov, M.; Tsvetkova, T.; Szekeres, A.; Terziyska, P.; Kitova, S.; Böttger, R.; Bischoff, L.;
Tetrahedral amorphous carbon (ta-C) thin films (d ~ 40 nm), deposited by filtered cathodic vacuum arc (FCVA) method, have been implanted with Ga+ ions with energy 20 keV and ion fluences 3xE14 and 3xE15 cm-2. The implantation induced modification of the films structure is reflected in a considerable change of their optical properties, best manifested by a significant shift of the optical absorption edge to lower photon energies as obtained from optical measurements. This shift is accompanied by a considerable increase of the absorption coefficient in the photon energy range (0.5 ÷ 3.0 eV). The observed effects could be attributed both to additional defect generation and increased graphitization, as well as by gallium colloids formation. The optical contrast thus obtained (between implanted and unimplanted film material) could be of use in the area of high-density optical data storage using focused Ga+ ion beams.
Keywords: ta-C films, Ga implantation, optical properties
  • Revue Roumaine de Chimie 62(2017)10, 761-765


Publ.-Id: 26090 - Permalink

CFD-simulation of different bubbly flow situations applying the Euler-Euler framework
Krepper, E.; Lucas, D.; Rzehak, R.;
A widely used approach to model two-phase bubbly flows for industrial applications is the Eulerian two-fluid framework of interpenetrating continua. The loss of details caused by the averaging procedure has to be compensated by consideration of additional closure relations. These concern the momentum exchange between the phases, the effect of the bubbles on liquid turbulence and bubble breakup & coalescence. A set of best available sub models was assembled (Rzehak and Krepper, 2013, 2015). To ensure the predictive capabilities it has to be shown that this model framework is able to describe different flow situations without any changes of model parameters.
The present contribution starts with validation work on upward turbulent bubbly flow in a vertical tube at the MTLoop facility using the wiremesh technique. A second step is the extension to counter-current and co-current downward flow at ROFEX using fast X-Ray tomography (Krepper et al. 2016). Both facilities were operated in Helmholtz - Zentrum Dresden-Rossendorf. Data on the cross sectional distribution of gas volume fraction, of gas and liquid velocity and on bubble size distributions were gained.
The presentation shows the capability of an unified framework of closure relationships to describe different flow situations.
Keywords: CFD, momentum exchange, bubble induced turbulence, fixed polydispersed flow
  • Lecture (Conference)
    The 3rd International Conference on Numerical Methods in Multiphase Flows, ICNMMF-III, 26.-29.06.2017, Tokyo, Japan

Publ.-Id: 26089 - Permalink

CFD analysis on experiments of bubbly flow in a tube with an obstacle
Krepper, E.; Neumann, M.; Lucas, D.;
Two phase adiabatic air/water flow in a vertical tube with an inner diameter of 54 mm equipped with an inner obstacle was investigated. Experiments are conducted for a wide range of superficial gas and liquid velocities in bubbly flow regime. Flow obstacles, namely a ring shaped diaphragm and a half-moon shaped diaphragm, are used for generation of three-dimensional flow fields. Besides conventional measurement techniques an ultrafast X-ray tomography scanner ROFEX, which was developed by HZDR, are applied. ROFEX determines gas distributions, bubble velocities and bubble sizes (Hampel et al. 2013, 2016).
The experiments were used to analyze the capability of the actual CFD based on the Euler/Eulerian approach. The CFD calculations were performed as pre-test simulations. Measured results for half-moon shaped diaphragm tests were available short before publishing the manuscript and shown with the calculations. Most of the values and at least the tendencies could be predicted with good agreement to measurements. Reasons for deviations are discussed in the paper.
CFD simulation enables the investigation of single components of the model approach. So the distribution of the bubble forces and the strength and location of single breakup&coalescence mechanisms can be analyzed and checked for plausibility.
Keywords: bubbly flow, experiments, CFD, momentum exchange, bubble induced turbulence, bubble breakup & coalescence
  • Contribution to proceedings
    The 17th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-17), 03.-08.09.2017, Xi'an, China
  • Lecture (Conference)
    The 17th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-17), 03.-08.09.2017, Xi'an, China

Publ.-Id: 26088 - Permalink

Concepts of CFD modelling of boiling towards CHF
Krepper, E.; Ding, W.;
Boiling is an effective heat transfer mechanism which plays an important role in many industrial applications. The heat transfer capability is limited by the critical heat flux (CHF). The conditions for CFX have to be avoided in any cases. The simulation of these not yet fully understood phenomena has not yet reached an acceptable maturity.
The presentation describes actual concepts of simulation of boiling beginning with the heat flux partitioning approach. In recent developments the bubble size distribution was considered. Concepts for describing CHF are presented.
Keywords: Boiling, CFD, Heat flux partitioning, bubble population balance, critical heat flux
  • Lecture (Conference)
    28th Meeting of the German CFD Network of Competence, 07.03.2017, Garching, Deutschland

Publ.-Id: 26087 - Permalink

Substitution mechanisms in In, Au, and Cu-bearing sphalerites studied by X-ray absorption spectroscopy of synthetic and natural minerals
Filimonova, O. N.; Trigub, A. L.; Tonkacheev, D. E.; Nickolsky, M. S.; Kvashnina, K. O.; Chareev, D. A.; Chaplygin, I. V.; Kovalchuk, E. V.; Lafuerza, S.; Tagirov, B. R.;
Processing of Zn ore accounts for >95% of production of In - a "critical" metal which is widely used in the high-tech electronics. The main source of In is sphalerite (Zn, Fe)S which also can host industrial concentrations of Au. Here we use X-ray absorption spectroscopy to investigate the coupled chemistry of In and Au in synthetic sphalerite crystals - analogues of natural minerals. The concentrations of In and Au were found to correlate with each other and reached 0.5 wt% in crystals synthesized at 850 °C. Both metals are homogeneously distributed within the sphalerite matrix. However, their positions within the mineral are different. In accord with X-ray absorption near edge structure (XANES) spectroscopy the formal oxidation state of these elements is +3 (In) and +1 (Au). Analysis of extended X-ray absorption fine structure (EXAFS) spectra revealed that In replaces Zn in the structure of sphalerite. The In-ligand distance increases by 0.12 Å and 0.09-0.10 Å for the 1st and 2nd coordination spheres, respectively, in comparison with pure ZnS. The In-S distance in the 3rd coordination sphere is close to the one of pure sphalerite. The In K-edge and Au L3-edge XANES and EXAFS spectra suggest that there is no In-Au clustering. Gold in sphalerite is coordinated with 2.5±0.3 S atoms at Au-S distance of 2.35±0.01 Å in the 1st coordination sphere, whereas distant coordination spheres have disordered nature.
Our data suggest that at least two different forms of Au are present in sphalerite. At high Au concentrations (0.03-0.5 wt%) the nanosized Au2S clusters predominate, probably with small admixture of the Au solid solution characterized by higher Au-S distance. Alike Au, the other 1st group metals (Me) Cu and Ag, which often are present in high (tenths ppm to wt%) concentrations in sphalerite, can form nanosized Me-S clusters with only traces (ppm level) of metal in the solid solution state.


  • Secondary publication expected from 04.03.2020

Publ.-Id: 26086 - Permalink

Radioimmunkonjugate für die theragnostische Anwendung an Prostata-Stammzellantigen-exprimierenden Tumoren
Oertel, F.; Arndt, C.; Feldmann, A.; Bergmann, R.; Steinbach, J.; Pietzsch, H.-J.; Bachmann, M.;
Ziel: Das Prostata-Stammzellantigen (PSCA) wird auf der Zelloberfläche von über 80% der Prostatatumore (PCa) und deren Knochenmetastasen exprimiert. Aus diesem Grund wird es häufig als Zielstruktur sowohl für die Radioimmuntherapie (RIT) als auch für molekulare Bildgebungstechniken von PCa in der Nuklearmedizin (Positronen-Emissions-Tomographie (PET) und Einzelphotonen-Emissionscomputertomographie (SPECT)) verwendet. Für die jeweiligen Anwendungsgebiete wurden Radioimmunkonjugate basierend auf monoklonalen anti-PSCA-Antikörpern (mAk, 150 kDa) und von diesen abgeleitete Einzelkettenantikörperfragmente („single-chain Fragment variable“ (scFv), 35 kDa) hergestellt. In Kombination sollen diese Radioimmunkonjugaten als therapeutisches und diagnostisches Instrument für PSCA-positive PCa Anwendung finden.
Methoden und Ergebnisse: Zwei unterschiedliche anti-PSCA mAk-Klone, RD1 und RD2 genannt, sowie davon abgeleitete scFvs wurden hergestellt, über Affinitätschromatographie gereinigt und deren Bindungseigenschaften an PSCA-positiven PC3-Zellen mittels Durchflusszytometrie ermittelt. Die unmarkierten mAk-Klone RD1 und RD2 zeigten hohe Affinitäten, mit Dissoziationskonstanten von 10 und 6 nM. Für die scFvs von RD1 und RD2 wurden geringere Affinitäten von 170 und 98 nM bestimmt. Die beiden mAk-Klone wurden anschließend mit dem bifunktionellen Chelator p-SCN-Bn-CHX-A’’-DTPA, die scFv-Antikörper hingegen mit p-SCN-Bn-NOTA konjugiert. Für alle Konstrukte wurde mittels MALDI-TOF-Massenspektrometrie eine durchschnittliche Anzahl von drei Chelator-Einheiten je Antikörpermolekül gemessen. Anschließend wurden die mAk-Konjugate für eine mögliche RIT-Anwendung mit Lutetium-177 und die scFv-Konjugate für eine mögliche PET-Bildgebung mit Kupfer-64 radiomarkiert. Des Weiteren wurden scFv-Antikörper auch direkt mit Technetium-99m mit Hilfe eines Tricarbonyl-Präkursor an ihrem Hexahistidin-Tag für eine mögliche SPECT-Bildgebung markiert. Für alle radiomarkierten Konjugate wurde eine radiochemische Reinheit von über 95% (radio-Dünnschichtchromatographie) erzielt. Nachfolgende In-vitro-Studien an PC3-PSCA-Zellen zeigten, dass die Bindungseigenschaften zum PSCA erhalten bleiben.
Ausblick: An entsprechenden Tumormaus-Modellen wird gegenwärtig geprüft, ob die positiven in-vitro Resultate für die hergestellten Radioimmunkonjugate bestätigt werden können.
  • Poster
    GdCh Wissenschaftsforum Chemie 2017, 10.-14.09.2017, Berlin, Deutschland

Publ.-Id: 26085 - Permalink

Radioimmunoconjugates for theragnostics of Prostate Stem Cell Antigen (PSCA)-expressing tumors
Oertel, F.; Arndt, C.; Feldmann, A.; Bergmann, R.; Steinbach, J.; Bachmann, M.; Pietzsch, H.-J.;
Aim: Advances in molecular engineering have led to the development of a multiplicity of antibody fragments with variations in molecular size. With respect to tumor targeting, the molecular size evidently determines the tumor uptake and pharmacokinetics. Consequently, they are proposed for different applications: small radiolabeled antibody fragments, such as single-chain variable fragments (scFv, 25-35 kDa) for tumor imaging and large full-size monoclonal antibodies (mAbs, 150 kDa) for radioimmunotherapy. Here, mAbs and thereof derived scFvs were produced that are directed against the prostate stem cell antigen (PSCA). Due to its overexpression on the surface of various tumor types, including prostate cancer and its metastases, it is proposed as a promising tumor target structure. Both antibody-based targeting molecules might provide a combinatory tool for theranostics of PSCA-positive prostate cancer.

Methods: In this study, two different anti-PSCA mAb clones, RD1 and RD2, as well as their respective anti-PSCA scFvs were produced and compared with regard to their binding properties towards PSCA, using flow cytometry analysis. The anti-PSCA mAbs were conjugated with the chelating agent p-SCN-CHX-A’’-DTPA, measured by MALDI-TOF, and subsequently radiolabeled with lutetium-177, whereas the scFvs were radiolabeled with technetium-99m on their histidine-tag. Thereafter, all radiolabeled conjugates were characterized by thin-layer chromatography, and regarding binding properties on PC3-PSCA cells in vitro.

Results: The non-radiolabeled anti-PSCA mAbs RD1 and RD2 showed a high affinity, with dissociation constants of 10 and 6 nM, respectively. The corresponding scFvs of RD1 and RD2 exhibit a lower affinity, with Kd-values of 170 and 98 nM. Both full mAbs were conjugated with about three CHX-A’’-DTPA. This conjugation had no influence on binding affinity towards the PSCA. Subsequent radiolabeling of the mAb-conjugates and scFvs could be performed with high radiochemical purity (> 95%) with preserving their binding properties to the PSCA.

Conclusion: Full-size mAbs and scFvs that target the tumor antigen PSCA were successfully produced and radiolabeled. The in vitro characterization showed promising results to proceed with studies on tumor mouse models.
  • Poster
    The 22nd International Symposium on Radiopharmaceutical Sciences (ISRS 2017), 14.-19.05.2017, Dresden, Deutschland

Publ.-Id: 26084 - Permalink

THz-driven dynamics probed by time-resolved ARPES – the high repetition rate opportunity
Deinert, J.-C.ORC; Green, B. W.; Kovalev, S.; Gensch, M.
Terahertz radiation offers unique control of low-energy excitations in matter. Fundamental modes, such as molecular rotations, lattice vibrations, electron and ion motion or spin precession can be coherently controlled on an ultrafast timescale, while parasitic electronic excitations are suppressed, because of the low THz photon energy.
The THz-induced effects, e.g. phase transitions in solids or modifications of chemical reactions are intrinsically connected to changes in the electronic structure of the material. The natural way to directly probe these changes is time- and angle-resolved photoelectron spectroscopy (tr-ARPES).
The main challenges which have impeded the experimental realization are:
availability of high field and high repetition rate THz source
knowledge and control of interaction of photo- electrons with THz field (“streaking”)
Accelerator-based THz sources like FLASH and TELBE provide ideal conditions for establishing feasibility and dynamic range of THz-pump tr-ARPES.
Keywords: Terahertz, Photoelectron Spectroscopy, pump-probe, ultrafast, condensed matter
  • Poster
    Future of science at FLASH - Opportunities with a cw XUV and soft X-ray FEL, 25.09.2017, Hamburg, Deutschland

Publ.-Id: 26083 - Permalink

Effective proton-neutron interaction near the drip line from unbound states in 25,26F
Vandebrouck, M.; Lepailleur, A.; Sorlin, O.; Aumann, T.; Caesar, C.; Holl, M.; Panin, V.; Wamers, F.; Stroberg, S. R.; Holt, J. D.; de Oliveira Santos, F.; Alvarez-Pol, H.; Atar, L.; Avdeichikov, V.; Beceiro-Novo, S.; Bemmerer, D.; Benlliure, J.; Bertulani, C. A.; Bogner, S. K.; Boillos, J. M.; Boretzky, K.; Borge, M. J. G.; Caamano, M.; Casarejos, E.; Catford, W.; Cederkall, J.; Chartier, M.; Chulkov, L.; Cortina-Gil, D.; Cravo, E.; Crespo, R.; Datta Pramanik, U.; Diaz Fernandez, P.; Dillmann, I.; Elekes, Z.; Enders, J.; Ershova, O.; Estrade, A.; Farinon, F.; Fraile, L. M.; Freer, M.; Galaviz, D.; Geissel, H.; Gernhäuser, R.; Gibelin, J.; Golubev, P.; Göbel, K.; Hagdahl, J.; Heftrich, T.; Heil, M.; Heine, M.; Heinz, A.; Henriques, A.; Hergert, H.; Hufnagel, A.; Ignatov, A.; Johansson, H. T.; Jonson, B.; Kahlbow, J.; Kalantar-Nayestanaki, N.; Kanungo, R.; Kelic-Heil, A.; Knyazev, A.; Kröll, T.; Kurz, N.; Labiche, M.; Langer, C.; Le Bleis, T.; Lemmon, R.; Lindberg, S.; Machado, J.; Marganiec, J.; Marques, F. M.; Movsesyan, A.; Nacher, E.; Najafi, M.; Nikolskii, E.; Nilsson, T.; Nociforo, C.; Paschalis, S.; Perea, A.; Petri, M.; Pietri, S.; Plag, R.; Reifarth, R.; Ribeiro, G.; Rigollet, C.; Röder, M.; Rossi, D.; Savran, D.; Scheit, H.; Schwenk, A.; Simon, H.; Syndikus, I.; Taylor, J. T.; Tengblad, O.; Thies, R.; Togano, Y.; Velho, P.; Volkov, V.; Wagner, A.; Weick, H.; Wheldon, C.; Wilson, G.; Winfield, J. S.; Woods, P.; Yakorev, D.; Zhukov, M.; Zilges, A.; Zuber, K.;
Odd-odd nuclei, around doubly closed shells, have been extensively used to study proton-neutron interactions. However, the evolution of these interactions as a function of the binding energy, ultimately when nuclei become unbound, is poorly known. The 26F nucleus, composed of a deeply bound p0d5=2 proton and an unbound n0d3=2 neutron on top of an 24O core, is particularly adapted for this purpose. The coupling of this proton and neutron results in a Jp = 1+ - 4+1 multiplet, whose energies must be determined to study the influence of the proximity of the continuum on the corresponding proton-neutron interaction. The Jp = 1+1 ; 2+1 ; 4+1 bound states have been determined, and only a clear identification of the Jp = 3+ 1 is missing.
Keywords: Coulomb dissociation radioactive beam

Publ.-Id: 26082 - Permalink

Bio-recycling of metals: Recycling of technical products using biological applications
Pollmann, K.; Kutschke, S.; Matys, S.; Raff, J.; Hlawacek, G.; Lederer, F. L.;
The increasing demand of different metals as a consequence of the development of new technologies, especially in the so called “low carbon technologies” require the development of innovative technologies that enable an environmentally friendly metal recovery. Current recycling rates are very low due to the increasing complexicity of products and the low content of certain critical elements. Therefore efforts have to be done on efficient recycling methodologies in order to enable a circular economy. Modern biotechnologies can contribute to solve some of the problems related to metal recycling. These approaches use natural properties of organisms, bio-compounds, and biomolecules to interact with minerals, materials, metals, or metal ions such as surface attachment, mineral dissolution, transformation, and metal complexation. The article presents some recent developments in the fields of bioleaching, biosorption, bioreduction, and bioflotation and their use for metal recovery from electronic devices, waste material, and industrial effluents.
Keywords: Biohydrometallurgy, biomining, bioleaching, biosorption, bioflotation, bioreduction, metal recovery, recycling, critical metals


Publ.-Id: 26081 - Permalink

Investigation of the superconducting gap structure in κ-(BEDT-TTF)2Cu(NCS)2 and κ-(BEDT-TTF)2Cu[N(CN)2]Br by means of thermal-conductivity measurements
Kühlmorgen, S.; Schönemann, R.; Green, E. L.; Müller, J.; Wosnitza, J.;
We report temperature-dependent thermal-conductivity, κ, measurements on the layered quasi-two-dimensional organic superconductors κ-(BEDT-TTF)2Cu(NCS)2 and κ-(BEDTTTF)2Cu[N(CN)2]Br down to 160 mK. The results for κ-(BEDT-TTF)2Cu(NCS)2 may be consistent with a nodal superconducting (SC) gap structure as indicated by a nonnegligible remnant linear contribution when κ /T α T2 is extrapolated to T = 0. For κ-(BEDT-TTF)2Cu[N(CN)2]Br, contrary to expectations, higher κ values are observed in the superconducting regime as compared to the normal, high-field state evidencing a dominant phonon contribution to κ in the superconducting state. The strong increase of κ in the normal state below Tc for both samples indicates strong electron–phonon scattering. Our results highlight the need for thermal-conductivity measurements performed down to significantly lower temperatures to determine the symmetry of the SC gap.


  • Secondary publication expected

Publ.-Id: 26080 - Permalink

Experimental Assessment of a Flat Sandwich-Like Self-Powered Detector for Nuclear Measurements in ITER Test Blanket Modules
Raj, P.; Angelone, M.; Döring, T.; Eberhardt, K.; Fischer, U.; Klix, A.; Schwengner, R.;
Neutron and gamma flux measurements in designated positions in the test blanket modules (TBM) of ITER will be important tasks during its campaigns. Investigations on self-powered detectors (SPD) - a type of flux monitors, are undertaken in the framework of an ongoing project on development of nuclear instrumentation for European ITER TBMs. This paper reports the findings of experiments performed with an SPD in flat sandwich-like geometry. A detector with vanadium emitter is chosen for preliminary studies. Its irradiation in a thermal neutron field gives a proof of the principle of flat SPDs. It is further irradiated in the mixed neutron-gamma field of a 14 MeV neutron generator and a bremsstrahlung photon field. The detector signals are
proportional to the incident fluxes, deeming it suitable for flux monitoring. Whereas both neutrons and gammas can be detected with appropriate optimization of geometries, materials and sizes of the components, the present design is more sensitive to gammas than fast neutrons. Based on the measured sensitivities of the SPD, its response under TBM conditions is predicted.
Keywords: test blanket modules, neutron flux, gamma flux monitors, elf-powered detectors

Publ.-Id: 26079 - Permalink

Quasi-two-dimensional Fermi surfaces with localized f electrons in the layered heavy-fermion compound CePt2In7
Götze, K.; Krupko, Y.; Bruin, J. A. N.; Klotz, J.; Hinlopen, R. D. H.; Ota, S.; Hirose, Y.; Harima, H.; Settai, R.; Mccollam, A.; Sheikin, I.;
We report measurements of the de Haas–van Alphen effect in the layered heavy-fermion compound CePt2In7 in high magnetic fields up to 35 T. Above an angle-dependent threshold field, we observed several de Haas–van Alphen frequencies originating from almost ideally two-dimensional Fermi surfaces. The frequencies are similar to those previously observed to develop only above a much higher field of 45 T, where a clear anomaly was detected and proposed to originate from a change in the electronic structure [M. M. Altarawneh et al., Phys. Rev. B 83, 081103 (2011)]. Our experimental results are compared with band structure calculations performed for both CePt2In7 and LaPt2In7, and the comparison suggests localized f electrons in CePt2In7. This conclusion is further supported by comparing experimentally observed Fermi surfaces in CePt2In7 and PrPt2In7, which are found to be almost identical. The measured effective masses in CePt2In7 are only moderately enhanced above the bare electron mass m0, from 2m0 to 6m0.

Publ.-Id: 26078 - Permalink

Preparation of 18F-labeled building blocks for peptide conjugation using the "minimalist" approach
Omrane, M. A.; Zlatopolskiy, B. D.; Urusova, E.; Mamat, C.; Feni, L.; Neundorf, I.; Neumaier, B.;
Recently, the “minimalist” protocol for radiofluorination was reported. This method allowed to prepare labeled probes from only [18F]F– and onium salts without base and other additives avoiding time-consuming azeotropic drying. The aim of this work was the implementation of the “minimalist” approach for the preparation of radiofluorinated building blocks via SN2. [18F]Fluoride was eluted from a QMA cartridge with an appropriate azetidinium or onium salt precursor of [18F]AFP, [18F]BFP and 5-[18F]FDR in MeOH. MeOH was evaporated at 55°C (550 mbar) within 2–3 min. MeCN was added and the resulting solutions were heated to give the corresponding 18F-labeled products. Protected 5-[18F]FDR was purified by SPE and thereafter deprotected under acidic conditions. Finally, reaction conditions for the conjugation of 5-[18F]FDR to aminooxy-functionalized peptides via chemoselective oxime ligation were optimized. [18F]F– was eluted from an anion exchange resin almost quantitatively. Under optimized conditions appropriately protected 5-[18F]FDR as well as [18F]AFP and [18F]BFP were prepared from the corresponding 3-N,N,N-trimethylammoniumalkyl(aryl)sulfonyl and azetidinium precursors in RCYs of up to 70%, 90% and 91% (determined by radio-HPLC analysis of the crude product), respectively. After SPE purification 5-[18F]FDR was obtained in 41% RCY (EOB) and excellent RCP >99% after deprotection with 1 m HCl (110 °C, 12 min) . The amount of d-ribose (60–80 μg/batch), a competitor in subsequent oxime ligation, was low enough to allow an efficient conjugation of 5-[18F]FDR with aminooxy-functionalized peptides. The corresponding conjugates were prepared in RCYs of up to 91%. The SN2 radiofluorination under “minimalist” conditions is well suited for the fast production of versatile 18F-labeled building blocks. The positively charged trimethylammonium “tag” of the 5-[18F]FDR precursor enables its simple separation from the labeled product using SPE. The prosthetic group was sufficiently pure for the subsequent labeling of peptides.
  • Poster
    22nd International Symposium on Radiopharmaceutical Sciences (ISRS 2017), Dresden, 14.-19.05.2017, Dresden, Deutschland
  • Open Access LogoJournal of Labelled Compounds and Radiopharmaceuticals 60(2017)S1, S261
    DOI: 10.1002/jlcr.3508

Publ.-Id: 26077 - Permalink

Evaluation of Ba/Ra Polyoxopalladates for Radiopharmaceutical Applications
Gott, M.; Yang, P.; Kortz, U.; Pietzsch, H.-J.; Steinbach, J.; Mamat, C.;
Alpha particles show great promise for therapeutic applications due to their high rate of linear energy transfer over short path lengths. Radium-223 has excellent decay properties but, a major hurdle for its use is the development of a stable chelator for delivery to the tumor site. Work is underway testing polyoxopalladates, as a novel subclass of polyoxometalates (POMs), to complex barium and radium and establish the feasibility of their radiopharmaceutical use. Nonradioactive BaPd15 POMs were produced by the reported literature method and characterized by NMR, TLC, and HPLC. Radioactive [133Ba, 224Ra]BaPd15 POMs were prepared similarly with either [133Ba]BaCl2 or [224Ra]RaCl2 spiked into the solution prior to heating. Characterization was performed by NMR, RadioTLC, and HPLC. Chromatographic separations were tested using Dowex-50 and Sephadex G-15 to purify the POM product. Dialysis studies were carried out to determine the stability of the [133Ba]BaPd15. Incubation studies with rat serum were performed to explore their biological stability. The POMs were easily prepared in a one-pot reaction and characterized by 1H and 13C NMR. TLC and HPLC were performed to determine the percent of incorporated radionuclide. Cation exchange chromatography with Dowex 50-X8 removed free [133Ba]Ba2+ to non-detectable levels in the product. Size exclusion chromatography with Sephadex G-15 separated the BaPd15 product (eluted first) from the bulk excess of acetate buffer and phenylarsonic acid. Dialysis studies showed measurable quantities of 133Ba in solution after 1 hour and ~ 10% of the radionuclide had escaped after 24 hours. Serum studies indicated the POMs had affinity for serum proteins quickly upon contact with the serum. The results of this study demonstrate the development of radioactive [133Ba, 224Ra]BaPd15 POMs. Stability studies indicated that these POMs quickly began to decompose, significantly so after 24 hours. Additionally, incubation studies with rat serum demonstrated an affinity for serum proteins. For these reasons, these POMs are unsuitable for radiotherapeutic use.
Keywords: Polyoxometalates, Alpha-therapy, Radium
  • Poster
    22nd International Symposium on Radiopharmaceutical Sciences (ISRS 2017), Dresden, 14.-19.05.2017, Dresden, Deutschland
  • Open Access LogoJournal of Labelled Compounds and Radiopharmaceuticals 60(2017)S1, S559
    DOI: 10.1002/jlcr.3508

Publ.-Id: 26076 - Permalink

Synthesis of a Cu-Filled Rh17S15 Framework: Microwave Polyol Process Versus High-Temperature Route
Roslova, M.; Golub, P.; Opherden, L.; Ovchinnikov, A.; Uhlarz, M.; Baranov, A. I.; Prots, Y.; Isaeva, A.; Coduri, M.; Herrmannsdörfer, T.; Wosnitza, J.; Doert, T.; Ruck, M.;
Metal-rich, mixed copper−rhodium sulfide Cu3−δRh34S30 that represents a new Cu-filled variant of the Rh17S15 structure has been synthesized and structurally characterized. Copper content in the [CuRh8] cubic cluster was found to vary notably dependent on the chosen synthetic route. Full site occupancy was achieved only in nanoscaled Cu3Rh34S30 obtained by a rapid, microwave-assisted reaction of CuCl, Rh2(CH3CO2)4 and thiosemicarbazide at 300 °C in just 30 min; whereas merely Cu-deficient Cu3−δRh34S30 (2.0 ≥ δ ≥ 0.9) compositions were realized via conventional high-temperature ceramic synthesis from the elements at 950 °C. Although Cu3−δRh34S30 is metallic just like Rh17S15, the slightly enhanced metal content has a dramatic effect on the electronic properties. Whereas the Rh17S15 host undergoes a superconducting transition at 5.4 K, no signs of the latter were found for the Cu-derivatives at least down to 1.8 K. This finding is corroborated by the strongly reduced density of states at the Fermi level of the ternary sulfide and the disruption of long-range Rh−Rh interactions in favor of Cu−Rh interactions as revealed by quantum-chemical calculations.

Publ.-Id: 26075 - Permalink

Novel Functionalized Calixarenes as Host Molecules for Complexation with Alkaline Earth Metals
Steinberg, J.; Gott, M.; Pietzsch, H.-J.; Steinbach, J.; Mamat, C.;
Alpha-emitting radionuclides (e.g. radium-223, 224) are of high interest for cancer therapy, but currently, no stable complexing agent for radium is known. Moderate stability constants have been described for complexes of alkaline-earth metal ions with calixarenes, crown and aza crown ethers [2, 3]. By combining calixarenes with crown and aza crown ethers as well as functionalizing the remaining calixarene hydroxyl groups, higher stability constants may be achieved. In this study, we synthesized and evaluated new functionalized calixarenes as host molecules for radium. 1,3 single-bridged crowns were selectively introduced on the lower rim of 4-tert-Butylcalix[4]arene by alkylation with tosylated crown ethers or by acylation and sequential amination with aza crown ethers. The remaining phenolic hydroxyl groups were functionalized by acylation and sequential amination to prepare acetic acid amide and hydroxyl amide derivatives. The complexation was carried out by vortexing the ligand in chloroform with an aqueous BaCl2-solution as surrogate for Ra for 10 min. The barium complex was isolated from the organic layer and characterization was performed by NMR. The barium-133 and radium-224 calixcrowns were prepared similarly and stability studies performed by TLC and HPLC. 1,3-bridged crown and calix(aza)crown ethers were obtained in good yields (53 and 58%, respectively) and acetic acid amide and hydroxyl amide calixcrown derivatives were successfully prepared with yields of 66-82%. Barium was incorporated into the calixarene compounds, isolated by a two-phase extraction and the structure confirmed by NMR. Synthesis and stability of the radioactive complexes will be reported. Future studies will incorporate a targeting moiety on the upper ring. Several novel, functionalized calixarene compounds were prepared and initial complexation studies were performed with nonradioactive barium. The resulting complexes were checked by NMR and the procedure was transferred to radioactive barium-133 and radium-224. Complexation and stability was demonstrated by radiographic imaging of the developed TLC plates. These complexes show great promise for application to cancer therapy.
Keywords: Alpha-therapy, Radium, Calixarenes
  • Poster
    22nd International Symposium on Radiopharmaceutical Sciences (ISRS 2017), Dresden, 14.-19.05.2017, Dresden, Deutschland
  • Open Access LogoJournal of Labelled Compounds and Radiopharmaceuticals 60(2017)S1, S488
    DOI: 10.1002/jlcr.3508

Publ.-Id: 26074 - Permalink

Combining in situ synchrotron X-ray diffraction and X-ray radiography to study the dendritic growth in Ga–In alloys
Shevchenko, N.; Grenzer, J.; Keplinger, O.; Rack, A.; Cantelli, V.; Eckert, S.;
Dendrites are common microstructures that are formed during industrial casting or welding. The processes involved in the formation of different dendrite morphologies and the orientation selection during dendritic growth are rather complex and still far from being fully understood [1-3]. In this work, in situ synchrotron X-ray radiography and diffraction methods have been combined to study the evolution of dendritic microstructures during the solidification of Ga - In alloys. The in situ directional solidification experiments were performed at the ID19 and BM20 beamlines (ESRF, France) at a high spatial resolution of < 1 µm.
Solidification processes are affected by natural convection as soon as instable density stratification arises in the melt. Melt flow induces various effects on the dendrite and grain morphology primarily caused by the convective transport of the solute. Usually, the morphologies of these dendrites differ from those developing under purely diffusive condition. Our observations show a facilitation of the growth of primary trunks or lateral branches, a suppression of side branching, dendrite remelting and fragmentation [4]. The final microstructure reveals dendrites with random and complicated morphologies.
The flow-induced variations of the local solute concentration may result in the changes of dendrite crystal orientations. According to theoretical predictions, the dendrite growth directions should not follow necessarily low indexed crystallographic directions [1]. Therefore coupling of in situ X-ray imaging with X-ray diffraction provides additionally information of the crystallographic orientation of the growing dendrites. Our measurements show that majority of the Indium dendrites grow along the <110> orientation, typically observed in body-centered metals. The analysis of the diffraction patterns obtained from the complex dendritic structures shows that a further improvement towards a 3D imaging experiment is needed. These first results demonstrate that the combination of these X-ray techniques can provide new data about the solidification processes and help to validate microstructural solidification models.
This work is financially supported by the Helmholtz Association “LIMTECH”.
Keywords: Dendrites, solidification, in situ synchrotron radiography, X-ray diffraction
  • Poster
    ESRF User Meeting, 06.-08.02.2017, Grenoble, France

Publ.-Id: 26073 - Permalink

Detection of Auger Electron Induced Strand Breaks on Plasmid DNA Caused by Technetium-99m Labeled Pyrene Derivatives
Wunderlich, G.; Reissig, F.; Mamat, C.; Pietzsch, H.-J.; Kotzerke, J.; Steinbach, J.;
Simultaneously with the known γ-emission, 99mTc causes radical-mediated DNA damage due to Auger electrons, which were also emitted. We have synthesized a series of new 99mTc-labeled pyrene derivatives (common DNA intercalators) with varied distances between the pyrene moiety and the radionuclide (Fig. 1). Plasmids (pUC 19) enable the investigation of the unprotected interactions between the labeled pyrene derivatives (3-15MBq) and DNA that results in single-strand breaks (SSB) or double-strand breaks (DSB) separated by gel electrophoresis in 1.4% agarose gel and quantified by fluorescent staining. We used the 99mTc(CO)3-core for pyrene labeling. 99mTc was tightly bound to the plasmid DNA and its damage is mainly dependent on the chain length between the pyrene residue and the Tc-core. It could not be completely prevented by DMSO, a known free radical scavenger. The effectiveness of the DNA-binding 99mTc-labeled pyrene derivatives was demonstrated by comparison to non-DNA-binding [99mTc]NaTcO4, since nearly all DNA damage caused by [99mTc]NaTcO4 was prevented by DMSO. We prepared a 99mTc-complex with an optimal distance between the [99mTc]Tc(CO)3-core and the pyrene residue to position the 99mTc in close proximity to the plasmid DNA to induce direct SSB and DSB. By increasing the distance between the DNA-intercalating moiety and the bonding moiety for 99mTc, we observed decrease of direct DNA damages. This distance dependence has not been reported for 99mTc until now. Clinical relevant Auger electron therapy is hampered by the prerequisite of DNA binding which is hindered by cell and nucleus membranes.
Keywords: 99mTc, Auger, DNA damage, Therapy
  • Poster
    22nd International Symposium on Radiopharmaceutical Sciences (ISRS 2017), Dresden, 14.-19.05.2017, Dresden, Deutschland
  • Open Access LogoJournal of Labelled Compounds and Radiopharmaceuticals 60(2017)S1, S365
    DOI: 10.1002/jlcr.3508

Publ.-Id: 26072 - Permalink

Evaluation of Safety of Light Water Cooled Reactors using CFD
Höhne, T.;
Computational Fluid Dynamics (CFD) is increasingly being used in nuclear reactor safety (NRS) analyses as a tool that enables safety relevant phenomena occurring in the reactor coolant system to be described in more detail.

Numerical investigations on single phase coolant mixing in Pressurized Water Reactors (PWR) have been performed at the FZD for almost a decade. The work is aimed at describing the mixing phenomena relevant for both safety analysis, particularly in steam line break and boron dilution scenarios, and mixing phenomena of interest for economical operation and the structural integrity.

On the other hand slug flow as a multiphase flow regime can occur in the cold legs of pressurized water reactors, for instance after a small break Loss of Coolant Accident (SB-LOCA). Slug flow is potentially hazardous to the structure of the system due to the strong oscillating pressure levels formed behind the liquid slugs. For the experimental investigation of horizontal two phase flows, different non pressurized channels and the TOPFLOW Hot Leg model in a pressure chamber was build and simulated with ANSYS CFX.
  • Book chapter
    Arun Nayak: Advances of Computational Fluid Dynamics in Nuclear Reactor Design and Safety Assessment, Amsterdam: Elsevier, 2019, 9780081023372

Publ.-Id: 26071 - Permalink

Stratified and Segregated Flow Modelling - AIAD 2017
Höhne, T.;
Today: Limits in simulating stratified & segregated two phase flow
Algebraic Interfacial Area Density Model (AIAD)
Free Surface Drag
Turbulence Damping
Sub-grid wave turbulence (SWT)
Verification and Validation is going on – more experimental data are required for the validation
Keywords: AIAD, Free Surface Drag, Sub-grid wave turbulence (SWT)
  • Lecture (Conference)
    15th Short Course “Multiphase Flow: Simulation,Experiment and Application”, 14.-17.11.2017, Dresden, Deutschland
  • Contribution to proceedings
    15th Short Course “Multiphase Flow: Simulation,Experiment and Application”, 14.-17.11.2017, Dresden, Deutschland
  • Poster
    15th Short Course “Multiphase Flow: Simulation,Experiment and Application”, 14.-17.11.2017, Dresden, Deutschland

Publ.-Id: 26070 - Permalink

Dipole strength in 80Se below the neutron-separation energy for the nuclear transmutation of 79Se
Makinaga, A.; Massarczyk, R.; Beard, M.; Schwengner, R.; Otsu, H.; Müller, S.; Röder, M.; Schmidt, K.; Wagner, A.;
The gamma-ray strength function ( SF) in 80Se is an important parameter to estimate the neutron-capture cross section of 79Se which is one of the long-lived fission products (LLFPs). Until now, the SF method was applied for 80 Se only above the neutron-separation energy (Sn) and the evaluated 79 Se(n,gamma) cross section has an instability caused by the GSF below Sn . We studied the dipole-strength distribution of 80 Se in a photon-scattering experiment using bremsstrahlung produced by an electron beam of an energy of 11.5 MeV at the linear accelerator ELBE at HZDR. The present photoabsorption cross section of 80 Se was combined with results of (gamma,n) experiments and are compared with predictions usinmg the TALYS code. We also estimated the 79 Se(n,gamma) cross sections and compare them with TALYS predictions and earlier work by other groups.
Keywords: Photon scatterinmg, photoabsorption, cross sections, dipole strength, neutron capture, statistical reaction models.


Publ.-Id: 26069 - Permalink

Pharmacokinetic/ pharmacodynamic studies of a copper-64 labelled Kv1.3-blocking peptide targeting autoimmune diseases
Kubeil, M.ORC; Bergmann, R.; Zarschler, K.; Stephan, H.; Norton, R. S.
The voltage-gated potassium channel Kv1.3 is an attractive therapeutic target to treat autoimmune disorders such as multiple sclerosis, rheumatoid arthritis, systemic lupus erythematosus and type-1 diabetes mellitus [1, 2]. This channel is highly expressed in T
effector memory lymphocytes and plays an important role in their activation. A scorpion toxin derived peptide analogue, HsTX1[R14A], blocks Kv1.3 with an affinity in the picomolar range [3].Moreover, this peptide is stabilized by four disulfide bridges, conferring high in vivo stability.
The peptide was synthesised by SPPS using Fmoc-tBu strategy [3]. The N-terminus of HsTX1[R14A] has been coupled to NOTA (1,4,7-triazacyclononane-triacetic acid) to permit labelling with the positron emitter copper-64. Biodistribution studies and metabolite analysis were carried out in healthy male Wistar rats using Positron Emission Tomography and Radioluminography.
The distribution studies demonstrated a rapid blood clearance after intravenous injection and a fast renal elimination. The highest accumulation was found in the kidney and urine. As a consequence, a long in vivo half-life has been observed. Furthermore, there were no indications of lymphatic cell binding in direct measurements with unfractionated human Tcells.
The promising pharmacological profile of the radiotracer enhances the potential of this peptide to be developed as a therapeutic. Its extraordinary stability and high selectivity for the target channel Kv1.3 make it an attractive candidate for autoimmune disorders.
[1] V. Chi, M. W. Pennington, R. S. Norton, E. Tarcha, L. Londono, B. Sims-Fahey, S. K. Upadhyay, J. T. Lakey, S. Iadonato, H. Wulff, C. Beeton, K. G. Chandy, Toxicon 2012, 59, 529-546.
[2] C. Beeton, et al. Proc. Natl. Acad. Sci. U. S. A. 2006, 103, 17414-17419.
[3] M. H. Rashid, R. Huq, M. R. Tanner, S. Chhabra, K. K. Khoo, R. Estrada, V. Dhawan, S. Chauhan, M. W. Pennington, C. Beeton, S. Kuyucak, and R. S. Norton, Sci. Rep. 2014, 4, 1-9.
Keywords: potassium channel, autoimmune disease, PET, peptide
  • Poster
    22nd International Symposium on Radiopharmaceutical Sciences, 14.-19.05.2017, Dresden, Deutschland

Publ.-Id: 26068 - Permalink

Neuartige Calix[4]arene zur Komplexierung von Erdalkalimetallen
Mamat, C.ORC; Bauer, D.; Gott, M.; Pietzsch, H.-J.; Steinbach, J.; Steinberg, J.
Radium-223 und Radium-224 sind klassische alpha-Emitter, die u.a. zu radiotherapeutischen Zwecken Verwendung finden sollen. Radium-223 ist bereits in der klinischen Anwendung, jedoch lediglich als [223Ra]RaCl2, da geeignete Chelatoren für eine stabile Komplexierung dieses Gruppe-2-Metalls fehlen. Komplexbildner die aus (Aza-)Kronenethern und Calixarenen bestehen stellen vielversprechende Kandidaten dar. Von dieses Derivaten wurden Komplexbildungskonstanten bestimmt mit Ba2+ als nichtradioaktives Surrogat aufgrund der ähnlichen chemischen Eigenschaften. Des Weiteren wurden Komplexierungsstudien mit 133Ba durchgeführt.
Keywords: Calixarene, Radium-223, Radiotherapeutika, alpha-Emitter
  • Lecture (Conference)
    Wissenschaftsforum Berlin - GdCh-Jahrestagung, 10.-13.09.2017, Berlin, Deutschland

Publ.-Id: 26067 - Permalink

Dipolar interaction induced band gaps and flat modes in surface-modulated magnonic crystals
Gallardo, R. A.; Schneider, T.; Roldan-Molina, A.; Langer, M.; Fassbender, J.ORC; Lenz, K.; Lindner, J.; Landeros, P.
Theoretical results for the magnetization dynamics of surface-modulated magnonic crystals (SMMCs) are presented. For such systems, the role of the periodic dipolar field induced by the geometrical modulation is addressed by using the plane-wave method. The results unveil that under the increasing of the etched depth, zones with magnetizing and demagnetizing fields act on the system, in such a way that magnonic band gaps are observed in both Damon-Eshbach (DE) and backward volume (BV) geometries. Particularly, in BV configuration, high frequency band gaps and low frequency nearly at modes are obtained. By controlling the geometry of the etched zones, the frequency modes, spatial profiles and forbidden frequency gaps of spin waves (SWs) can be manipulated. To test the validity of the model, the theoretical results of this work are confirmed by micromagnetic simulations, where a good agreement between both methods is achieved. It is demonstrated that the spin-wave dynamics of a surface modulated magnonic crystal contrasts to bi-component magnonic crystals or periodic arrays of wires, for instance, since the SMMCs allow enhancing the magnetizing character in some regions of the film, promoting thus the confinement of the SWs. The theoretical model allows for a detailed understanding of the physics underlying these kind of systems, thereby providing an outlook to potential applications on magnonic devices.
Keywords: magnonic crystals, spin waves, ferromagnetic resonance, magnetization dynamics


Publ.-Id: 26066 - Permalink

New measurement of the 242Pu(n,γ) cross section at n_TOF-EAR1 for MOX fuels: Preliminary results in the RRR
Lerendegui-Marco, J.; Guerrero, C.; Cortés-Giraldo, M. A.; Quesada, J. M.; Mendoza, E.; Cano-Ott, D.; Eberhardt, K.; Junghans, A.; Aberle, O.; Andrzejewski, J.; Audouin, L.; Bacak, M.; Balibrea, J.; Barbagallo, M.; Bečvář, F.; Berthoumieux, E.; Billowes, J.; Bosnar, D.; Brown, A.; Caamaño, M.; Calviño, F.; Calviani, M.; Cardella, R.; Casanovas, A.; Cerutti, F.; Chen, Y. H.; Chiaveri, E.; Colonna, N.; Cortés, G.; Cosentino, L.; Damone, L. A.; Diakaki, M.; Domingo-Pardo, C.; Dressler, R.; Dupont, E.; Durán, I.; Fernández-Domínguez, B.; Ferrari, A.; Ferreira, P.; Finocchiaro, P.; Göbel, K.; Gómez-Hornillos, M. B.; García, A. R.; Gawlik, A.; Gilardoni, S.; Glodariu, T.; Gonçalves, I. F.; González, E.; Griesmayer, E.; Gunsing, F.; Harada, H.; Heinitz, S.; Heyse, J.; Jenkins, D. G.; Jericha, E.; Käppeler, F.; Kadi, Y.; Kalamara, A.; Kavrigin, P.; Kimura, A.; Kivel, N.; Kokkoris, M.; Krtička, M.; Kurtulgil, D.; Leal-Cidoncha, E.; Lederer, C.; Leeb, H.; Lo Meo, S.; Lonsdale, S. J.; Macina, D.; Marganiec, J.; Martínez, T.; Masi, A.; Massimi, C.; Mastinu, P.; Mastromarco, M.; Maugeri, E. A.; Mazzone, A.; Mengoni, A.; Milazzo, P. M.; Mingrone, F.; Musumarra, A.; Negret, A.; Nolte, R.; Oprea, A.; Patronis, N.; Pavlik, A.; Perkowski, J.; Porras, I.; Praena, J.; Radeck, D.; Rauscher, T.; Reifarth, R.; Rout, P. C.; Rubbia, C.; Ryan, J. A.; Sabaté-Gilarte, M.; Saxena, A.; Schillebeeckx, P.; Schumann, D.; Smith, A. G.; Sosnin, N. V.; Stamatopoulos, A.; Tagliente, G.; Tain, J. L.; Tarifeño-Saldivia, A.; Tassan-Got, L.; Valenta, S.; Vannini, G.; Variale, V.; Vaz, P.; Ventura, A.; Vlachoudis, V.; Vlastou, R.; Wallner, A.; Warren, S.; Woods, P. J.; Wright, T.; Žugec, P.; The N_Tof Collaboration;
The spent fuel of current nuclear reactors contains fissile plutonium isotopes that can be combined with 238U to make mixed oxide (MOX) fuel. In this way the Pu from spent fuel is used in a new reactor cycle, contributing to the long-term sustainability of nuclear energy. The use of MOX fuels in thermal and fast reactors requires accurate capture and fission cross sections. For the particular case of 242Pu, the previous neutron capture cross section measurements were made in the 70's, providing an uncertainty of about 35% in the keV region. In this context, the Nuclear Energy Agency recommends in its “High Priority Request List” and its report WPEC-26 that the capture cross section of 242Pu should be measured with an accuracy of at least 7–12% in the neutron energy range between 500 eV and 500 keV. This work presents a brief description of the measurement performed at n_TOF-EAR1, the data reduction process and the first ToF capture measurement on this isotope in the last 40 years, providing preliminary individual resonance parameters beyond the current energy limits in the evaluations, as well as a preliminary set of average resonance parameters.
Keywords: 242Pu neutron capture, neutron time-of-flight measurement, CERN nTOF
  • Open Access LogoContribution to proceedings
    International Conference on Nuclear Data for Science and Technology (ND2016), 11.-16.09.16, Bruges, Belgium, 11.-16.09.16, Bruges, Belgium
    European Physical Journal Web of Conferences
    DOI: 10.1051/epjconf/201714611045

Publ.-Id: 26065 - Permalink

Positron Annihilation Studies using a Superconducting Electron LINAC
Wagner, A.; Butterling, M.; Hirschmann, E.; Krause-Rehberg, R.; Liedke, M. O.; Potzger, K.;
The Helmholtz-Center at Dresden-Rossendorf operates several user beamlines for materials research using positron annihilation energy and lifetime spectroscopy. Two beamlines are being operated at a superconducting electron linear accelerator producing hard X-rays from electron-bremsstrahlung and in turn generating positrons from pair production. Both installations employ bunched continuous-wave (CW) electron beams with energies between 15 MeV and 30 MeV. The CW-operation results in significantly reduced pile-up effects in the detectors in comparison to normal conducting accelerators. Electron bunch lengths below 10 ps FWHM allow positron annihilation lifetime spectroscopy measurements with high timing resolutions. The bunch repetition rate is adjustable to 26 MHz / 2n, n=0, 1, 2 ... 16 matching wide spans in positron or positronium lifetimes. The GiPS (Gamma-induced Positron Source) generates energetic electron-positron pairs inside the sample under investigation from hard x-rays impinging onto the sample [2]. Therefore, the source is especially suited for materials which are not qualified for vacuum conditions or because they are imposing hazardous conditions or intrinsic radioactivity. Exemplary defect studies on the skyrmoin-lattice compound MnSi will be presented. MePS (the Monoenergetic Positron Source) utilizes positrons with fixed energies ranging from 500 eV to 16 keV. A magnetic beam transport system guides positrons to the samples under investigation. A dedicated chopper/buncher system is used to maintain a high timing resolution for depth-dependent annihilation lifetime studies in thin films. The signal-to-noise ratio is beyond 104 while lifetime resolutions of around 280 ps FWHM have been obtained. Applications of porosimetry studies in low-k dielectrics and polymer brushes will be presented.
The MePS facility will be extended by an end-station called AIDA2 (Apparatus for in-situ Defect Analysis) where defect studies can be performed in a wide temperature range during thin film growth and ion irradiation. A similar setup named AIDA-1 is already in operation at a 22Na-based mono-energetic continuous positron beam used for Doppler-broadening spectroscopy experiments.
The MePS facility has partly been funded by the Federal Ministry of Education and Research (BMBF) with the grant PosiAnalyse (05K2013). The initial AIDA system was funded by the Impulse- und Networking fund of the Helmholtz-Association (FKZ VH-VI-442 Memriox). The AIDA facility was funded through the Helmholtz Energy Materials Characterization Platform.
Keywords: positron annihilation superconducting LINAC materials science
  • Invited lecture (Conferences)
    International Workshop on Physics with Positrons at Jefferson Lab, 12.-15.09.2017, Newport News, VA, USA
  • Invited lecture (Conferences)
    International Workshop on Positron Studies of Defects 2017 (PSD-17), 03.-08.09.2017, Dresden, Deutschland
  • Open Access LogoAIP Conference Proceedings 1970(2018), 040003
    DOI: 10.1063/1.5040215
  • Lecture (Conference)
    Frühjahrstagung der Deutschen Physikalischen Gesellschaft, 12.-16.03.2018, Berlin, Deutschland


Publ.-Id: 26064 - Permalink

Liquid metal batteries
Weier, T.; Ashour, R.; Herreman, W.; Horstmann, G.; Kelley, D.; Landgraf, S.; Nimtz, M.; Nore, C.; Personnettaz, P.; Salas, A.; Starace, M.; Stefani, F.; Weber, N.;
Übersicht der Forschungsaktivitäten zu Flüssigmetallbatterien am HZDR
  • Poster
    LIMTECH-Symposium, 19.09.2017, Dresden, Deutschland

Publ.-Id: 26063 - Permalink

Chemical and Electronic Repair Mechanism of Defects in MoS2 Monolayers
Förster, A.; Gemming, S.; Seifert, G.; Tománek, D.;
Using ab initio density functional theory cal- culations, we characterize changes in the elec- tronic structure of MoS2 monolayers introduced by missing or additional adsorbed sulfur atoms. We furthermore identify the chemical and elec- tronic function of substances that have been reported to reduce the adverse effect of sul- fur vacancies in quenching photoluminescence and reducing electronic conductance. We find that thiol-group containing molecules adsorbed at vacancy sites may re-insert missing sulfur atoms. And in the presence of sulfur adatoms, thiols may form disulfides on the MoS2 surface to mitigate the adverse effect of defects.
Keywords: 2D materials, TMD, defects, density-functional, transition metal dichalcogenide, nanoelectronics, catalysis


Publ.-Id: 26062 - Permalink

High repetition rate, multi-MeV proton source from cryogenic hydrogen jets
Gauthier, M.; Curry, C. B.; Göde, S.; Brack, F.-E.; Kim, J. B.; Macdonald, M. J.; Metzkes, J.; Obst, L.; Rehwald, M.; Rödel, C.; Schlenvoigt, H.-P.; Schumaker, W.; Schramm, U.; Zeil, K.; Glenzer, S. H.;
We report on a high repetition rate proton source produced by high-intensity laser irradiation of a continuously flowing, cryogenic hydrogen jet. The proton energy spectra are recorded at 1Hz for Draco laser powers of 6, 20, 40, and 100 TW. The source delivers ca. 10^13 protons/MeV/sr/min. We find that the average proton number over one minute, at energies sufficiently far from the cut-off energy, is robust to laser-target overlap and nearly constant. This work is therefore a first step towards pulsed laser-driven proton sources for time-resolved radiation damage studies and applications which require quasi-continuous doses at MeV energies.

Publ.-Id: 26061 - Permalink

Nitrogen redistribution in annealed LaFeOxNy thin films investigated by FTIR spectroscopy and EELS mapping
Haye, E.; Pierron, V.; Barrat, S.; Capon, F.; Munnik, F.; Bruyère, S.;
LaFeOxNy thin films have been deposited by magnetron sputtering in Ar/O2/N2 gas mixture at 800°C. Such oxynitride perovskites present an uncommon infrared vibration mode position at 2040cm-1, due to presence of nitrogen, which disappears with heating in air. The evolution of this vibration mode with temperature has been studied and permit to determine an activation energy of thermal degradation of LaFeOxNy. The quantification of nitrogen by Elastic Recoil Detection Analysis (ERDA) before and after heating exhibits the same nitrogen content, indicating a redistribution of nitrogen. Such nitrogen redistribution is observed by Electron Energy Loss Spectroscopy (EELS) mapping, showing migration of nitrogen into grain boundaries, in association with film oxidation.
Keywords: Oxynitride perovskite, Thermal stability, EELS mapping, FTIR

Publ.-Id: 26059 - Permalink

The costimulatory domain in chimeric antigen receptor modified T lymphocytes defines their resistance to immunosuppression by regulatory T cells
Kegler, A.; Koristka, S.; Bergmann, R.; Feldmann, A.; Arndt, C.; Aliperta, R.; Albert, S.; Ziller-Walter, P.; Ehninger, G.; Bornhäuser, M.; Schmitz, M.; Bachmann, M.; Keywords: tumor immunotherapy, CAR design, Treg suppression
  • Lecture (Conference)
    47th Annual Meeting of the German Society for Immunology, 12.09.2017, Erlangen, Germany

Publ.-Id: 26058 - Permalink

Using the novel universal CAR platform technology “UniCAR” to target tumors overexpressing disialoganglioside (GD2)
Mitwasi, N.; Feldmann, A.; Bergmann, R.; Rössig, C.; Bachmann, M.; Keywords: CAR Technology, UniCAR T cells, GD2.
  • Lecture (Conference)
    47th Annual Meeting of the German Society for Immunology, 12.09.2017, Erlangen, Germany

Publ.-Id: 26057 - Permalink

Retargeting of human T lymphocytes to EGFR-expressing cancer cells via nanobody-based target modules using the universal chimeric antigen receptor technology
Albert, S.; Bergmann, R.; Koristka, S.; Feldmann, A.; Arndt, C.; Aliperta, R.; Ehninger, A.; Cartellieri, M.; Ehninger, G.; Steinbach, J.; Bachmann, M.; Keywords: CAR T cell therapy, nanobodies, EGFR-targeting
  • Lecture (Conference)
    47th Annual Meeting of the German Society for Immunology, 12.09.2017, Erlangen, Germany

Publ.-Id: 26056 - Permalink

On the influence of microstructure on fracture behaviour of hot extruded ferritic ODS steels
Das, A.; Viehrig, H. W.; Altstadt, E.; Heintze, C.; Hoffmann, J.;
ODS steels are known to show inferior fracture properties as compared to ferritic martensitic non-ODS steels. Hot extruded 13Cr ODS steel however, showed excellent fracture toughness at a temperature range from room temperature to 400 ˚C. In this work, the factors which resulted in superior and anisotropic fracture behaviour were investigated by comparing different orientations of two hot extruded materials using scanning electron, electron backscatter and transmission electron microscopy. Fracture behaviour of the two materials was compared using unloading compliance fracture toughness tests. Anisotropic fracture toughness was predominantly influenced by grain morphology. Superior fracture toughness in 13Cr ODS-KIT was predominantly influenced by factors such as smaller void inducing particle size and higher sub-micron particle-matrix interfacial strength.
Keywords: ODS-steel, fracture behaviour, fracture toughness, anisotropy, bimodal microstructure, fractography, ductile fracture, void growth and coalescence, critical fracture strain, ductility, void inducing particles


Publ.-Id: 26055 - Permalink

A pure Java implementation of Generalized Maps
Menzel, P.; Teichmann, J.; van den Boogaart, K. G.;
Each natural object can be represented for digital computations by a decomposition into polyhedral cells.
To handle the topology of such arbitrary cellular partitions specialized data structures are needed.
One example is the concept of Generalized Maps noted for its generality and efficiency.
Nevertheless, only few freely available C/C++ implementations and no native Java implementation of Generalized Maps are known to the authors.
Therefore, we present the open-source Java package de.hzdr.jgm.cgeo.gmap using Generalized Maps as basic concept.
It includes implementations of the theoretical aspects and basic operations as well as high-level approaches for creation and manipulation of cellular objects.
Keywords: Generalized Maps, topology, cellular partitions, Java
  • Software in external data repository
    Publication year 2017
    Programming language: Java
    System requirements: native JDK 1.8.0_92 or higher
    License: GNU General Public License 3.0 (Link to license text)
    Hosted on GitHub: Link to location

Publ.-Id: 26053 - Permalink

Fluid Mechanics of Liquid Metal Batteries
Kelley, D. H.; Weier, T.;
The design and performance of liquid metal batteries, a new technology for grid-scale energy storage, depend on fluid mechanics because the battery electrodes and electrolytes are entirely liquid. Here we review prior and current research on the fluid mechanics of liquid metal batteries, pointing out opportunities for future studies. Because the technology in its present form is just a few years old, only a small number of publications have so far considered liquid metal batteries specifically. We hope to encourage collaboration and conversation by referencing as many of those publications as possible here. Much can also be learned by linking to extensive prior literature considering phenomena observed or expected in liquid metal batteries, including thermal convection, magnetoconvection, Marangoni flow, interface instabilities, the Tayler instability, and electro-vortex flow. We focus on phenomena, materials, length scales, and current densities relevant to the liquid metal battery designs currently being commercialized. We try to point out breakthroughs that could lead to design improvements or make new mechanisms important.
Keywords: liquid metal batteries, Tayler instability, metal pad roll instability, electro-vortex flows


Publ.-Id: 26052 - Permalink

Complex crustal structures: their 3D grav/mag modelling and 3D printing
Götze, H.-J.; Schmidt, S.; Menzel, P.;
The new techniques are user-friendly because they are highly interactive, ideally real-time and topology conserving and can be used for both flat and spherical models in 3D. These are important requirements for joint inversion for gravity and magnetic modelling of fields and their derivatives, constrained by seismic and structural input from independent data sources. A borehole tool for magnetic and gravity modelling will also be introduced. We are already close to satisfying the demand of treating several geophysical methods in a single model for subsurface evaluation purposes and aim now for fulfilling most of the constraints: consistency of model results and measurements and geological plausibility as well.
For 3D gravmag modelling, polyhedrons built by triangles are used. All elements of the gravity and magnetic tensors can be included. In the modelling interface, after geometry changes the effect on the model is quickly updated because only the changed triangles have to be recalculated. Because of the triangular model structure, our approach can handle complex structures very well and it is flexible (e.g. overhangs of salt domes or plumes). For regional models, the use of spherical geometries and calculations is necessary and available. 3D visualization is performed with a 3D-printer (Ultimaker 2) and gives new insights into even rather complicated Earth subsurface structures.
Inversion can either be run over the whole model, but typically it is used in smaller parts of the model, helping to solve local problems and/or proving/disproving local hypotheses. The basic principles behind this interactive approach are high performance optimized algorithms (CMA-ES: Covariance-matrix-adoption-evolution-strategy). The efficiency of the algorithm is rather high in terms of stable convergence due to topological model validity.
Potential field modelling is always influenced by edge effects. To avoid this, a simple but very robust method has been developed: Derive a density/susceptibility-depth function by taking the mean value of the borders of depth slices through the model. The focus of the presentation is set on two practical study examples: one from the international KTB – Project, Germany´s deep continental borehole, as well as a very complex salt structure in the Northwest German Basin.
Keywords: Potential Field modeling, 3D visualization and printing
  • Poster
    European Geosciences Union General Assembly 2017, 23.-26.04.2017, Wien, Österrreich

Publ.-Id: 26051 - Permalink

Investigation of the Ga Complexation Behaviour of the Siderophore Desferrioxamine B
Jain, R.; Cirina, F.; Kaden, P.; Pollmann, K.;
Gallium (Ga) is a critical element for the electronic industry, however, its long-term supply is not assured. Thus, the recovery of Ga from industrial wastewaters is important. Selective sorption is a recommended technology for the recovery of Ga from industrial wastewaters, however, selective sorbents are elusive. Desferrioxamine B (DFOB), a hydroxomate siderophore that is known to be highly selective towards Fe3+, is tested for its ability to complex Ga. This study demonstrated that DFOB forms 1:1 complex with Ga and the maximum Qe Ga is 124.4 mg of Ga complexed per g of DFOB. Further, the complexation mechanism of Ga3+ and Fe3+ with DFOB is similar, as indicated by NMR, suggesting that the selectivity of DFOB towards Fe3+ will be extended to Ga3+ as well. Thus, DFOB seems to be a suitable candidate for the sorption of Ga from industrial wastewaters.
Keywords: Siderophores, selective, complexation, HPLC, NMR


Publ.-Id: 26049 - Permalink

Building the third SRF Gun at HZDR
Vennekate, H.; Arnold, A.; Lu, P.; Murcek, P.; Teichert, J.; Xiang, R.;
The multipurpose accelerator ELBE at HZDR which is delivering a large set of secondary beams, is driven by a thermionic DC injector. In order to enhance the beam quality of the machine, the development of superconducting RF injector has been pursued since the early 2000’s. The corresponding ELBE SRF Gun I of 2007 and Gun II of 2014 already delivered beam for the operation of several user beamlines, such as the FEL, positron generation, and THz facility. Currently, the next version – Gun III – and its cryomodule are being assembled, characterized, and prepared for the final commissioning throughout late 2017/early 2018. The new module benefits from the experiences gained with regard to emittance compensation and monitoring of operation variables made with the two predecessors.
Keywords: SRF Gun, Superconductivity, RF, Accelerator, Injector
  • Open Access LogoContribution to proceedings
    International Beam Instrumentation Conference, 20.-24.08.2017, Grand Rapids, USA, 978-3-95450-192-2


Publ.-Id: 26048 - Permalink

Ground-state configuration of neutron-rich 35Al via Coulomb breakup
Chakraborty, S.; Datta Pramanik, U.; Aumann, T.; Beceiro-Novo, S.; Boretzky, K.; Caesar, C.; Carlson, B. V.; Catford, W. N.; Chartier, M.; Cortina-Gil, D.; de Angelis, G.; Diaz Fernandez, P.; Emling, H.; Ershova, O.; Fraile, L. M.; Geissel, H.; Gonzalez-Diaz, D.; Johansson, H.; Jonson, B.; Kalantar-Nayestanaki, N.; Kröll, T.; Krücken, R.; Langer, C.; Le Bleis, T.; Leifels, Y.; Marganiec, J.; Münzenberg, G.; Najafi, M. A.; Nilsson, T.; Nociforo, C.; Panin, V.; Plag, R.; Rahaman, A.; Reifarth, R.; Ricciardi, M. V.; Rigollet, C.; Rossi, D.; Scheidenberger, C.; Scheit, H.; Simon, H.; Taylor, J. T.; Togano, Y.; Typel, S.; Utsuno, Y.; Wagner, A.; Wamers, F.; Weick, H.; Winfield, J. S.;
The ground-state configuration of 35Al has been studied via Coulomb dissociation (CD) using the LAND-FRS setup (GSI, Darmstadt) at a relativistic energy of ∼403 MeV/nucleon. The measured inclusive differential CD cross section for 35Al, integrated up to 5.0 MeV relative energy between the 34Al core and the neutron using a Pb target, is 78(13) mb. The exclusive measured CD cross section that populates various excited states of 34Al is 29(7) mb. The differential CD cross section of 35Al → 34Al + n has been interpreted in the light of a direct breakup model, and it suggests that the possible ground-state spin and parity of 35Al could be, tentatively, 1/2+ or 3/2+ or 5/2+. The valence neutrons, in the ground state of 35Al, may occupy a combination of either l = 3,0 or l = 1,2 orbitals coupled with the 34Al core in the ground and isomeric state(s), respectively. This hints of a particle-hole configuration of the neutron across the magic shell gaps at N = 20,28 which suggests narrowing the magic shell gap. If the 5/2+ is the ground-state spin-parity of 35Al as suggested in the literature, then the major ground-state configuration of 35Al is a combination of 34Al(g.s.; 4−) ⊗ νp3/2 and 34Al(isomer; 1+) ⊗ νd3/2 states. The result from this experiment has been compared with that from a previous knockout measurement and a calculation using the SDPF-M interaction.
Keywords: Coulomb dissociation electromagnetic strength radioactive beam nuclear astrophysics

Publ.-Id: 26047 - Permalink

The OLCF GPU Hackathon Series: The Story Behind Advancing Scientific Applications with a Sustained Impact
Chandrasekaran, S.ORC; Juckeland, G.ORC; Lin, M.ORC; Otten, M.; Pleiter, D.ORC; Stone, J. E.; Lucio-Vega, J.; Zingale, M.ORC; Foertter, F.ORC
It only took three years to grow from a ``Let's give this a try''-event to a repeatedly copied format with several spin-offs that inspired HPC centers around the world.
Sticking to a few fundamental principles---work on your own code, learn from your mentors just what you need and when you need it, stay flexible in achieving your goal---the week long hackathon format created at Oak Ridge Leadership Computing Facility (OLCF) has been just the spark needed by many groups of scientists to light the fire of a wider GPU adoption in leading-edge as well as university-scale HPC environments.
Most interestingly, the format enabled both ends of the experience spectrum---graduate students vs. post doc fellows---the same kind of progress and chance of success.
Keywords: Parallel Programming; Hackathon; GPU applications; Agile development; Mentoring; Profile guided development
  • Contribution to proceedings
    EduHPC-17: Workshop on Education for High-Performance Computing, 13.11.2017, Denver, CO, USA
    The OLCF GPU Hackathon Series: The Story Behind Advancing Scientific Applications with a Sustained Impact

Publ.-Id: 26046 - Permalink

Invenio Shibboleth-Authenticator
Frust, T.; Schmeisser, N.; Urban, O.;
Module for Invenio that provides authentication via shibboleth.
Related publications
Shibboleth-Authenticator for Invenio (Id 27360) is an alternate identifier of this publication
  • Software in external data repository
    Publication year 2017
    Programming language: Python
    System requirements: Python 2.7, >3.5
    License: GNU General Public License v3.0 (Link to license text)
    Hosted on GitHub: Link to location
  • Software in external data repository
    Publication year 2017
    Programming language: Python
    System requirements: Python 2.7 or Python >3.5
    License: GNU General Public License v3.0 (Link to license text)
    Hosted on PyPI - the Python Package Index: Link to location

Publ.-Id: 26045 - Permalink

Synemin is a novel co-regulator of the radiation-induced DNA damage response in head and neck cancer cells
Deville, S. S.; Förster, S.; Cordes, N.;
Focal adhesion proteins (FAPs) have been shown to essentially contribute to cancer cell therapy resistance. Based on our previous finding that integrins partially control DNA repair processes, we here aim at characterizing the function of FAPs in the DNA damage response. Among others, we identified Synemin, an intermediate filament protein, as novel DNA repair regulator and highly potential novel cancer target in head and neck squamous cell carcinoma (HNSCC).

Methods and materials:
A novel 3D High Throughput esiRNA Screen (3DHTesiRNAs) using (3D)-laminin-rich extracellular matrix (lr-ECM) was established. Screening for residual double strand breaks (DSBs) and clonogenic radiation survival was performed in UTSCC15-pEGFP-53BP1 HNSCC cells upon esiRNA-mediated FAPs knockdown and X-ray exposure (6 Gy). The top 2 targets were validated in a panel of 10 3D lr-ECM HNSCC cell cultures regarding γH2AX/53BP1 foci and clonogenic survival. Immunostaining and 3D chromatin fractionation (CF) of Synemin prior and post irradiation (IR) were performed. Upon Synemin knockdown, DNA repair assay for NHEJ and HR as well as Western Blotting for protein expression and phosphorylation were employed.

Among a number of interesting novel targets found in our 3DHTesiRNAs, Synemin turned out as novel determinant of HNSCC radiosensitivity. Synemin silencing led to radiosensitization of 3D HNSCC cell cultures. Intriguingly, we showed that Synemin knockdown resulted in a 40% reduction in NHEJ without affecting HR. Concomitantly, phosphorylation of ATM Ser1981, DNA-PKcs Ser2056 and c-Abl Tyr412 were diminished relative to controls. Associated with these observations, we found a dramatic Synemin accumulation in the perinuclear area, which is accompanied by an increased interaction of Synemin with chromatin.

Our data indicate the interfilament protein Synemin as a new important determinant of DNA repair and radioresistance in HNSCC cells. Ongoing research is focusing on evaluating the molecular mechanism how Synemin participates in NHEJ and chromatin organization.
Keywords: synemin, radiotherapy
  • Poster
    GBS, 17.-20.09.2017, Essen, Deutschland

Publ.-Id: 26044 - Permalink

Identification of beta 8 integrin as novel determinant of pancreatic cancer cell radioresistance
Lee, W.-C.; Jin, S.; Cordes, N.;
Background: Pancreatic ductal adenocarcinoma (PDAC) is one of the five most lethal malignancies in the world and has a 5-year relative overall survival rate of less than 5%. Thus, there is a great need for molecular-targeting strategies. As cell-matrix adhesion is essential for the survival, invasion and therapy resistance, we sought to identify the function of 117 focal adhesion proteins (FAP) in PDAC cell radioresistance. Intriguingly 8 integrin turned out to be one of the most potential novel targets in PDAC.
Material and methods: For FAP detection, we performed a 3D endoribonuclease-prepared siRNA (esiRNA)-based screening (3DHTesiS) in PDAC cell culture (established and primary) grown in laminin-rich extracellular matrix (IrECM). After esiRNA-mediated knockdown and X-ray irradiation (2-6 Gy single dose), clonogenic survival assay and sphere formation were determined. Beta 8 integrin expression level and distribution were detected by using Western blot and immunofluorescence staining. Beta 8 integrin staining was also combined with vesicle trafficking proteins (Caveolin-1, APPL2) and the cis-Golgi matrix protein GM130. Fiji software was used to analyze vesicle distribution after irradiation and Peason’s correlation coefficients were calculated.
Results: We identified a series of novel targets with radiosensitizing potential including beta 8 integrin. Without cytotoxicity, beta 8 integrin knockdown conferred a significant radiosensitizing effect in established patient-derived PDAC cell cultures. Moreover, beta 8 integrin depletion reduced invasion and sphere forming ability. Intriguingly, we found beta 8 integrin located in the perinuclear area colocalized with GM130 but neither in the cell membrane nor colocalized with Caveolin-1 and APPL2. Further, we observed an increased beta 8 integrin expression after irradiation associated with enhanced beta 8 integrin-positive vesicle formation in both cytoplasm and nucleus. This suggests that beta 8 integrin may contribute to intracellular vesicle trafficking under stress conditions.
Summary: We successfully designed a high-throughput radiosensitivity screening method for cell growing in a physiological 3D matrix-based environment. Interestingly, beta 8 integrin has, although not found in the cell membrane to facilitate cell adhesion, a critical role in the radiation response of pancreatic cancer cell. Ongoing work will unravel the underlying mechanisms how beta 8 integrin is controlling cytoplasmic and nuclear survival pathways.
Keywords: integrin, radiotherapy, pdac
  • Poster
    GBS, 17.-20.09.2017, Essen, Deutschland

Publ.-Id: 26043 - Permalink

Flüssigmetallbatterien als Option für elektrische Großspeicher
Nimtz, M.; Weber, N.; Weier, T.;
Übersicht über die Forschungsaktivitäten an Flüssigmetallbatterien am HZDR.
  • Poster
    3. Wissenschaftliches SCI-Treffen "Energiesystemintegration", 11.09.2017, Karlsruhe, Deutschland

Publ.-Id: 26042 - Permalink

Selection of Gallium-binding peptides using Phage Display technology
Schönberger, N.; Matys, S.; Lederer, F.; Pollmann, K.;
Gallium is used essentially in the semiconductor compounds GaAs, GaN or GaP for high-potential future technologies. The resulting rapidly growing demand for gallium shouldn't be exclusively met by the recovery from primary raw material sources.
Biosorptive recycling of gallium from waste waters of the semiconductor industry is a promising and innovative contribution for establishing an economic and clean zero waste technology.
Peptides are excellently suitable ligands for the biosorptive complexation of gallium ions in aqueous solutions due to their variability in their amino acid sequence and their robust properties.
A well-established method for the selection of highly specific peptide ligands in medicine and biotechnology is the phage display technology. Random, short peptide sequences are presented on the surface according to genetically modified bacteriophages. In a biopanning called process, a pool of different bacteriophages is selected against a particular target, thereby enriching specific binding clone variants (figure 1). A very effective method has been established for the selection of different phage display libraries. Gallium ions immobilized on a monolithic ion exchanger are made accessible for biopanning in an FPLC system. This chromatopanning allows the selective enrichment of gallium-binding clone variants under strictly controlled process conditions.
In the present study, we report about the enrichment, identification and characterization of several gallium-binding motifs. Some promising gallium binding bacteriophage clones are chosen for further binding studies. The corresponding peptide sequences can be synthesized and used in subsequent experiments to develop biosorptive materials for selective gallium recovery from industrial waste waters.
Keywords: Phage Surface Display, biopanning, immobilized metal ions, Gallium, metal binding peptides
  • Lecture (Conference)
    6th International Symposium on biosorption and biodegradation/bioremediation, 25.-29.06.2017, Prag, Czech republic

Publ.-Id: 26041 - Permalink

Development of Metal Ion Binding Peptides Using Phage Surface Display Technology.
Schönberger, N.; Matys, S.; Flemming, K.; Lehmann, F.; Lederer, F.; Pollmann, K.;
Phage surface display technology is a useful tool for the identification of biosorptive peptides. In this work it is used for the identification of cobalt, nickel and gallium binding peptides. We present methods for the enrichment of metal ion binding bacteriophage clones from two commercial phage display libraries. One of them presents cyclic heptamer peptides, in which two cysteins flanke the peptide loop (C7C), and a linear dodecapeptide library (D-12).Metal ion selective peptides are suitable to separate as well as concentrate cobalt and nickel from copper black shale leaching products (EcoMetals project) and gallium from industrial waste waters (EcoGaIn project). In contrast to common capture methods of specific binding phage for solid materials the ionic species have to be immobilized prior to the bio-panning procedure. This was realized by chemical complexation of the metal ions using commercial complexing agents on porous matrices. Moreover, an option to harvest non elutable strong binding phage is proposed.
Keywords: Phage Surface Display, biopanning, immobilized metal ions, nickel, gallium, cobalt, metal binding peptides
  • Contribution to proceedings
    22nd International Biohydrometallurgy Symposium, 24.-27.09.2017, Freiberg, Deutschland
    Solid State Phenomena 262, Schweiz: Trans Tech Publications, ISSN: 1662-9779,, 591-595
    DOI: 10.4028/

Publ.-Id: 26040 - Permalink

Measurements of the energy spectrum of secondary neutrons in a proton therapy environment
Dommert, M.; Reginatto, M.; Zboril, M.; Fiedler, F.; Helmbrecht, S.; Enghardt, W.; Lutz, B.;
not available, to be filled in
Keywords: Neutron dosimetry, proton therapy
  • Lecture (Conference)
    Jahrestagung der BIOMEDIZINISCHEN TECHNIK und Dreiländertagung der MEDIZINISCHEN PHYSIK, 10.-13.09.2017, Dresden, Deutschland

Publ.-Id: 26039 - Permalink

Overview on Helmholtz Reactor Safety Research
Kliem, S.ORC; Tromm, W.; Reinecke, E.-A.
The paper gives an overview on the research conducted within the topic "Reactor Safety" of the Helmholtz NUSAFE programme.
  • Lecture (Conference)
    2nd Sino-German Symposium on Fundamentals of Advanced Nuclear Safety Technology, 12.-15.09.2017, Karlsruhe, Deutschland

Publ.-Id: 26038 - Permalink

Hierarchical thermoplastic rippled nanostructures regulate Schwann Cell adhesion, morphology and spatial organization
Masciullo, C.; Dell'Anna, R.; Tonazzini, I.; Böttger, R.; Pepponi, G.; Cecchini, M.;
Periodic ripples are a variety of anisotropic nanostructures that can be realized by ion beam irradiation on a wide class of solid surfaces. Only few authors have investigated these surfaces for tuning the response of biological systems, probably because it is challenging to directly produce them in materials that well sustain long-term cellular cultures. Here, hierarchical rippled nanotopographies with lateral periodicity of ∽300 nm are produced from a gold-irradiated germanium mold in polyethylene terephthalate (PET), a biocompatible polymer approved by the US Food and Drug Administration for clinical applications, by a novel three-steps embossing process. The effects of nano-ripples on Schwann Cells (SCs) are studied in view of their possible use for nerve-repair applications. Data demonstrate that nano-ripples can enhance short-term SC adhesion and proliferation (3-24h from seeding), drive their actin cytoskeleton spatial organization and sustain long-term cell growth. Notably, SCs orient perpendicularly with respect to the nanopattern lines. These results provide information about the possible use of hierarchical nano-rippled elements for nerve-regeneration protocols.
Keywords: hierarchical nanostructures, self-organization, ion Irradiation, cell adhesion, nano-ripples

Publ.-Id: 26037 - Permalink

Ultra-dense planar metallic nanowire arrays with extremely large anisotropic optical and magnetic properties
Jia, Q.; Ou, X.; Langer, M.; Schreiber, B.; Grenzer, J.; Siles, P. F.; Rodriguez, R. D.; Huang, K.; Yuan, Y.; Heidarian, A.; Hübner, R.; You, T.; Yu, W.; Lenz, K.; Lindner, J.; Wang, X.; Facsko, S.;
A nanofabrication method for the production of ultra-dense planar metallic nanowire arrays scalable to wafer-size is presented. The method is based on an efficient template deposition process to grow diverse metallic nanowire arrays with extreme regularity in only two steps. First, III-V semiconductor substrates are irradiated by a low-energy ion beam at an elevated temperature, forming a highly ordered nanogroove pattern by a “reverse epitaxy” process due to self-assembly of surface vacancies. Second, diverse metallic nanowire arrays (Au, Fe, Ni, Co, FeAl alloy) are fabricated on these III-V templates by deposition at a glancing incidence angle. This method allows for the fabrication of metallic nanowire arrays with periodicities down to 45 nm scaled up to wafer-size fabrication. As typical noble and magnetic metals, the Au and Fe nanowire arrays produced here exhibited large anisotropic optical and magnetic properties, respectively. The excitation of localized surface plasmon resonances (LSPRs) of the Au nanowire arrays resulted in a high electric field enhancement, which was used to detect phthalocyanine (CoPc) in surface-enhanced Raman scattering (SERS). Furthermore, the Fe nanowire arrays showed a very high in-plane magnetic anisotropy of approximately 412 mT, which may be the largest in-plane magnetic anisotropy field yet reported that is solely induced via shape anisotropy within the plane of a thin film.
Keywords: self-assembly, metallic nanowire array, reverse epitaxy, magnetic anisotropy, anisotropic dielectric function


Publ.-Id: 26036 - Permalink

The application of atomic force microscopy in mineral flotation - A critical review
Butt, H.-J.; Xing, Y.; Gui, X.; Cao, Y.; Babel, B.; Rudolph, M.ORC; Weber, S.; Kappl, M.
During the past years, atomic force microscopy (AFM) has matured to be an indispensable surface analytical tool in modern nanomaterials, colloid and interface science, and biological research. A sharp probe mounted near to the end of a cantilever scans along the sample surface providing a high resolution three-dimensional topographic image. On the other hand, the application of AFM used as a force sensor also becomes more and more popular after the invention of the colloidal probe AFM technique. In this review, we highlight the advances in the application of AFM in the field of mineral flotation, such as mineral morphology imaging, mineral-water interface characterization, mineral-reagent interactions, inter-particle interactions, inter-bubble interactions and bubble-particle interactions. Over the coming years, the simultaneous characterization of topography and chemical composition as an imaging tool for AFM and the synchronous measurement of the force and distance involving deformable bubble as a force sensor will become an active area.
Keywords: atomic force microscopy; mineral flotation; surface imaging; inter-particles interaction; bubble-particle interaction


  • Secondary publication expected

Publ.-Id: 26035 - Permalink

Therapeutic options to overcome tumor hypoxia in radiation oncology
Troost, E.; Koi, L.; Yaromina, A.; Krause, M.;
Expert review summarizing the overcome tumor cell hypoxia by treatment modification in radiation oncology.
An extensive literature search regarding various means of treatment modification was performed and key papers on those modifications were included in this review article.
Based on the identified key papers the means to overcome hypoxia in radiation oncology were summarized in this review article, e.g., increasing levels of oxygen, combining radiotherapy with agents counteracting hypoxia, or modifying radiation treatment itself.
This review summarizes the results of preclinical and clinical studies counteracting hypoxia and highlights the measures that have found their way into clinical practice.
Keywords: Hypoxia, radiotherapy, oxygenation modification, systemic agents, radiation dose-escalation

Publ.-Id: 26034 - Permalink

Dipole strength distribution in 206Pb for the evaluation of the neutron-capture cross section of 205Pb
Shizuma, T.; Iwamoto, N.; Schwengner, R.; Makinaga, A.; Beyer, R.; Bemmerer, D.; Dietz, M.; Junghans, A.; Kögler, T.; Ludwig, F.; Reinicke, S.; Schulz, S.; Urlaß, S.; Wagner, A.;
The dipole strength distribution of 206Pb was investigated via nuclear resonance fluorescence experiment using bremsstrahlung produced with an electron beam at a kinetic energy of 10.5 MeV at the linear accelerator ELBE. We identified 88 states resonantly excited at energies from 3.7 to 8.2 MeV. The photoabsorption cross sections were extracted from the measured scattering cross sections and the branching ratios. The present (gamma,gamma') data combined with (gamma, n) data from the literature were used as an input to the statistical calculation code CCONE to evaluate the neutron capture cross section of the unstable 205 Pb nucleus.
Keywords: Photon scattering, nuclear resonance fluorescence, bremsstrahlung, photoabsorption cross section, neutron-capture cross section, statistical model

Publ.-Id: 26033 - Permalink

Spin-transfer driven dynamics in hybrid structures
Fowley, C.; Rode, K.; Gallardo, R.; Thiyagarajah, N.; Lau, Y.-C.; Borisov, K.; Betto, D.; Atcheson, G.; Kampert, E.; Wang, Z.; Lindner, J.; Coey, M.; Stamenov, P.; Deac, A. M.;
Since the discovery of giant magnetoresistance, metal spintronics has seen unprecedented advances, from the realisation of ultra-high magnetoresistance ratios to substantial output power from both conventional spin transfer torque oscillators as well as spin-torque vortex oscillators [1]. The recently discovered of the fully compensated ferrimagnetic half-metal, manganese ruthenium gallium (MRG), due to its widely tunable magnetic properties [2], could enable spin torque oscillators which work in the range of hundreds of GHz. Being a ferrimagnet, MRG consists of two magnetic sublattices which are coupled antiferromagnetically to each other. It has been shown that in this material the magnetotransport is dominated by one magnetic sublattice whereas the overall magnetisation is determined by both sublattices [3]. This means that MRG behaves magnetically like an antiferromagnet and electrically like a highly spin polarised ferromagnet, implying that spin-transfer torque would act on one sublattice only, enabling efficient current induced excitations. Due to the different temperature dependences of the sublattice magnetisations, MRG displays a compensation temperature at which the total magnetic moment is zero and the magnetic state is impervious to external magnetic fields [4].
Here we conduct high-field magnetotransport measurements [5] on selected films of MRG with differing Ru concentration and, therefore, different compensation temperatures (Tc). Both the transverse Hall resistivity and longitudinal resistivity are recorded in magnetic fields up to 58T. MRG exhibits a large spontaneous Hall angle of ~2%, coercivity exceeding 1T at room temperature (and several Teslas close to Tc) and has very low net magnetisation of 25kA/m. Despite having a no net magnetic moment at the compensation temperature the magnitude of the Hall signal does not become zero, further indicating both the half-metallic nature of the material and that the magnetotransport is dominated by one sublattice only. An additional feature is observed in the transport data, which resembles a spin-flop transition. By comparison to analytical and mean-field calculations of the sublattice magnetisation directions we can estimate the both the sublattice anisotropy (Hk) and interlayer exchange coupling (Hex). The out-of-phase and in-phase magnetic resonance modes, therefore, lie in the range of 0.3THz and 4THz, respectively. This makes MRG a uniquely tuneable material as a free layer in spin-transfer oscillator applications [6].

[1] Baibich M.N. et al., Physical Review B, 61, 2472 (1988), Ikeda S. et al., Applied Physics Letters, 93 082508 (2008), Tsunegi S. et al., Applied Physics Letters, 109, 252402 (2016)
[2] Kurt H. et al., Physical Review Letters, 112, 027201 (2014)
[3] Borisov K. et al., Applied Physics Letters, 108, 192407 (2016)
[4] Betto D. et al., AIP Advances, 6, 055601 (2016)
[5] Fowley C. et al., Journal of Physics D : Applied Physics, 48, 164006 (2015)
[6] Awari N. et al., Applied Physics Letters, 109, 032403 (2016)
Keywords: magnetism, spin-transfer torque, wireless communication
  • Invited lecture (Conferences)
    Moscow International Symposium on Magnetism, 01.-05.07.2017, Moscow, Russia

Publ.-Id: 26032 - Permalink

Ultrahigh anisotropy Heusler alloys for THz spin-torque oscillators
Deac, A. M.;
Since the discovery of giant magnetoresistance, metal spin electronics has seen unprecedented advances, from the realisation of ultra-high magnetoresistance ratios to substantial output power from spin transfer torque oscillators based on Fe/MgO/Fe-type tunnel junctions which function in the GHz range [1]. The recently discovered class of almost compensated ferrimagnetic manganese gallium pseudo-Heusler alloys, due to their widely tunable magnetic properties [2], could enable the design of spin torque oscillators which work in the range of hundreds of GHz, i.e., covering the THz gap.
To investigate the resonance modes in such compounds, we first conducted high-field magnetotransport measurements [3] on selected films with different composition and, therefore, different compensation temperatures (Tc) and effective anisotropies. In manganese ruthenium gallium (MRG), for instance, both the transverse Hall resistivity and longitudinal resistivity were recorded in magnetic fields up to 58 T, at variable temperature. MRG exhibits a large spontaneous Hall angle of ~2%, coercivity exceeding 1 T at room temperature (and several Teslas close to Tc ) and has very low net magnetisation of 25 kA/m. Despite having no net magnetic moment at Tc, the magnitude of the Hall signal does not become zero, indicating both a half-metallic nature of the material and that the magnetotransport is dominated by one sublattice only. An additional feature is observed in the transport data, which resembles a spin-flop transition. By comparison to analytical and mean-field calculations of the sublattice magnetisation directions, we can estimate both the sublattice anisotropy (Hk ) and interlayer exchange coupling (Hex). Based on these values, the out-of-phase and in-phase magnetic resonance modes are estimated to lie in the range of 0.3 THz and 2 THz, respectively. Furthermore, magnetoresistance ratios as high as 40% at 4.2 K and 12% at room temperature can be obtained when integrating MRG in magnetic tunnel junctions [4].
The out-of-phase resonance mode was also directly measured for ferrimagnetic Mn3-xGa thin films as function of anisotropy and applied magnetic fields (up to 10 T). At low applied fields, we find that the resonance frequency ranges between 200 and 350 GHz for films with different compositions (i.e. anisotropy), providing proof of concept for efficient on-chip emitters of coherent, narrow-band light pulses in the THz gap [5].

[1] Baibich M.N. et al., Physical Review B, 61, 2472 (1988), Ikeda S. et al., Applied Physics Letters, 93 082508 (2008), Tsunegi S. et al., Applied Physics Letters, 109, 252402 (2016)
[2] Kurt H. et al., Physical Review Letters, 112, 027201 (2014)
[3] Fowley C. et al., Journal of Physics D : Applied Physics, 48, 164006 (2015)
[4] Borisov K. et al., Applied Physics Letters, 108, 192407 (2016)
[6] Awari N. et al., Applied Physics Letters, 109, 032403 (2016)
Keywords: magnetism, spin-transfer torque, terahertz communication
  • Invited lecture (Conferences)
    62nd Annual Conference on Magnetism and Magnetic Materials, 06.-10.11.2017, Pittsburgh, USA
  • Invited lecture (Conferences)
    APS March Meeting 2018, 05.03.2018, Los Angeles, USA

Publ.-Id: 26031 - Permalink

Measurement of the lifetime and the proportion of 12C3+ ions in stored relativistic ion beams as a preparation for laser cooling experiments at the CSRe
Wang, H. B.; Wen, W. Q.; Huang, Z. K.; Zhang, D. C.; Hai, B.; Zhu, X. L.; Zhao, D. M.; Yang, J.; Li, J.; Li, X. N.; Mao, L. J.; Mao, R. S.; Wu, J. X.; Yang, J. C.; Yuan, Y. J.; Eidam, L.; Winters, D.; Beck, T.; Kiefer, D.; Rein, B.; Walther, T.; Loeser, M.; Schramm, U.; Siebold, M.; Bussmann, M.; Ma, X.;
We report on an experiment that was conducted in preparation of laser cooling experiments at the heavy-ion storage ring CSRe. The lifetimes of ion beams made up of 12C3+ and 16O4+ ions stored at an energy of 122MeV/u in the CSRe were determined by two independent methods, firstly via a DC current transformer (DCCT) and secondly via a Schottky resonator. Using electron-cooling, the signals of the 12C3+ and 16O4+ ions could be separated and clearly observed in the Schottky spectrum. The obtained individual lifetimes of the 12C3+ and 16O4+ components were 23.6s and 17.8s, respectively. The proportion of 12C3+ ions in the stored ion beam was measured to be more than 70% at the beginning of the injection and increasing as a function of time. In addition to these measurements, the operation and remote control of a pulsed laser system placed directly next to the storage ring was tested in a setup similar to the one envisaged for future laser experiments.
Keywords: Storage ring, Laser cooling, Electron cooling, Schottky pick-up, bunched beam, dynamics


Publ.-Id: 26030 - Permalink

Limits on Supernova- Associated Fe-60/Al-26 Nucleosynthesis Ratios from Accelerator Mass Spectrometry Measurements of Deep-Sea Sediments
Feige, J.; Wallner, A.; Fifield, L. K.; Golser, R.; Merchel, S.; Rugel, G.; Steier, P.; Tims, S. G.; Winkler, S. R.;
We searched for presence of 26Al (t1/2=0.7 Myr) in deep-sea sediments as a signature for extraterrestrial influx. Our data show an exponential dependence of 26Al with the sample age that is fully compatible with radioactive decay of terrigenic 26Al. The same set of samples demonstrated a clear extraterrestrial 60Fe signal between 1.7 and 3.2 Myr ago. Combining our 26Al data with the recently reported 60Fe data [1] gives a lower limit for the local interstellar 60Fe/26Al isotope ratio. Our Limit of 0.24 is higher than the observed average galactic 60Fe/26Al flux ratio of (0.15 + 0.05).It favours the higher ratios deduced from nucleosynthesis models.

Publ.-Id: 26029 - Permalink

Wissenschaftliche Software – Anspruch und Realität im Forschungsprozess
Konrad, U.ORC
Wissenschaftliche Software ist heute unverzichtbares Werkzeug im Forschungsprozess, sie ist Voraussetzung für die Nachvollziehbarkeit der (publizierten) Ergebnisse und in vielen Fällen auch selbst ein Ergebnis, das publiziert, genutzt und langfristig bewahrt werden muss. Publikationen bestehen künftig häufig aus zitierfähigen Texten, Daten und Software und müssen entsprechend konsistent behandelt werden, dies ist eine Herausforderung auch für die Bibliotheken. Daraus ergeben sich eine Reihe von Fragestellungen und Aufgaben für die gute wissenschaftliche Praxis im Umfeld der „Offenen Wissenschaft“ (Open Science). Diese Fragen werden in dem Vortrag diskutiert.
Ausgangspunkt ist die Frage, welche Kategorien wissenschaftlicher Software es gibt und was für Rollen diese im Forschungsprozess spielen. Mit der voranschreitenden Digitalisierung von Forschung und Lehre steigt die Abhängigkeit von Software-Lösungen. Die grundlegenden Prinzipien der „guten wissenschaftliche Praxis“ wie Nachvollziehbarkeit, Reproduzierbarkeit, Transparenz und Qualitätssicherung müssen auch bei der Entwicklung und Nutzung von wissenschaftlicher Software angewandt werden. Allerdings gibt es eine Reihe von Besonderheiten für den Umgang mit Software, da diese im Vergleich zu Veröffentlichungen und Daten einem meist kontinuierlichen Entwicklungsprozess unterliegt und im Kontext spezifischer Entwicklungs- und Laufzeitumgebungen zu betrachten sind.
Darüber hinaus sind die Publikation, Nachnutzbarkeit und Verwertung von Software zentrale Herausforderungen. Die Zitation von Quellcode, die Open Source Software-Entwicklung, die Bereitstellung forschungsnaher Infrastrukturen für Entwicklung und Test sowie die Lizenzen und rechtliche Aspekte der Softwarenachnutzung sind noch nicht umfassend in der wissenschaftlichen Praxis realisiert. Darüber hinaus fehlen auch Anreizsysteme für eine nachhaltige Softwareentwicklung in der Forschung.
Für viele dieser Fragen gibt es Lösungsansätze und „best practice“ Beispiele, auf die eingegangen wird. Seit einiger Zeit gibt es dazu internationale und nationale Initiativen wie u.a. die Software Carpentry (1998, US), das Software Sustainability Institute (2008, GB) und sciforge (2014, D). Des Weiteren unterstützt die Deutsche Forschungsgemeinschaft (DFG) die Entwicklung dieses Gebietes u.a. mit dem Programm ”Research Software Sustainability”.
Keywords: Wissenschaftliche Software, Softwareentwicklung, Publikation, Repositorien, Infrastruktur, Bibliothek, Scientific software, software development, publication, repository, infrastructure
  • Lecture (Conference)
    Internationale Open Access Tage 2017, 11.-13.09.2017, Dresden, Deutschland
    DOI: 10.5281/zenodo.1040289

Publ.-Id: 26025 - Permalink

Two-gap superconductivity in Ag1–x Mo6S8 Chevrel phase
Feig, M.; Bobnar, M.; Veremchuk, I.; Hennig, C.; Burkhardt, U.; Starke, R.; Kundys, B.; Leithe-Jasper, A.; Gumeniuk, R.;
The superconducting properties of Ag1−xMo6S8 [x = 0.08(1)] Chevrel phase [Tc = 7.9(5) K] are studied on a sample compacted by spark plasma sintering. Both lower [Bc1 = 12(1) mT] and the upper [Bc2(0) ~ 7.4(9) T] critical magnetic fields are obtained from magnetization and electrical resistivity measurements for the first time. The analysis of the low-temperature electronic specific heat indicates Ag1−xMo6S8 to be a two band superconductor with the energy gaps delta-1 = 1.6 meV (95 %) and delta-2 = 0.7 meV (5 %). Theoretical DFT calculations reveal a much stronger electron-phonon coupling in the studied Chevrel phase compared to earlier reports.
Keywords: crystal structure, x-ray diffraction methods, superconductivity, specific heat, DFT calculation

Publ.-Id: 26024 - Permalink

The costimulatory domain in CAR T cells determines the resistance to immunosuppression by regulatory T cells
Kegler, A.; Koristka, S.; Bergmann, R.; Feldmann, A.; Arndt, C.; Aliperta, R.; Albert, S.; Ziller-Walter, P.; Ehninger, G.; Bornhäuser, M.; Schmitz, M.; Bachmann, M.;
Chimeric antigen receptor (CAR)-modified T cells are intensively studied for their application in cancer patients and already proved incredible success in clinical trials. However, the choice of the intracellular signaling domain integrated into the CAR architecture can largely influence T cell function and fate, as already shown in vitro and in vivo. Moreover, especially within solid tumors regulatory T cells (Tregs) play an important role in establishing an anti-inflammatory milieu and suppressing effector cells. Consequently, endogenous Tregs might impair CAR-engrafted T cells and thereby affect treatment outcome of cancer patients. Therefore, it is of large interest to investigate the responsiveness of T cells comprising CARs with different intracellular signaling domains on Treg suppression.
To address this question, we isolated CD4+CD25- conventional T cells (Tconv) and genetically modified them to express a universal CAR (UniCAR) construct as part of our previously developed UniCAR platform technology. In contrast to conventional CARs, UniCARs are indirectly linked to their target cells via a separate antigen-specificity providing target module (TM), which allows a flexible application of UniCAR-engrafted T cells against a wide range of tumor-associated antigens. It also enables a modulation of T cell activity between an “on” and “off” status. To compare the influence of different intracellular costimulatory signals, we designed UniCARs containing either a CD3ζ, CD28-CD3ζ or CD137-CD3ζ domain.
By using a lentiviral gene transfer system for genetic modification, transduction rates of more than 80 % were achieved. Upon TM-mediated activation via the UniCAR, Tconvs containing UniCAR28/ζ produced significantly higher amounts of the pro-inflammatory cytokine TNF and the growth-related cytokine IL 2 than UniCAR137/ζ- or UniCARζ-engrafted cells. To investigate the impact of Tregs, Tconvs containing the individual UniCAR constructs were cultured in the presence of expanded, autologous CD4+CD25+CD127lowCD45RA+ Tregs for 96h. On the one hand, Tregs were pre-stimulated with anti-CD3/CD28 beads to mimic polyclonal activation via the endogenous TCR. On the other hand, an antigen-specific stimulation was achieved by engrafting Tregs with UniCARs. In both cases, UniCAR-armed Tconvs showed a distinct responsiveness on Treg suppression in dependence on the intracellular signaling domain. We observed, that in contrast to UniCAR28/ζ-armed Tconvs, UniCAR137/ζ- and UniCARζ-engrafted cells could be substantially repressed by Tregs.
In summary, we could demonstrate that Tconvs containing UniCARs with different intracellular signaling domains display not only a distinct cytokine secretion profile but also a disparate resistance against Treg suppression. These data indicate, that the chosen costimulatory signal has an impact on both the efficacy and the safety of a cancer treatment conducted with genetically modified CAR T cells.
Keywords: tumor immunotherapy, CAR design, Treg suppression
  • Poster
    Third CRI-CIMT-EATI-AACR International Cancer Immunotherapy Conference, 06.09.2017, Mainz, Germany

Publ.-Id: 26022 - Permalink

Redirection of human T lymphocytes armed with on/off switchable universal chimeric antigen receptors against various malignant cells
Feldmann, A.; Bergmann, R.; Albert, S.; Metwasi, N.; Arndt, C.; Aliperta, R.; Koristka, S.; Ehninger, A.; Cartellieri, M.; Ehninger, G.; Steinbach, J.; Bachmann, M.;
Recently, chimeric antigen receptor (CAR) expressing T cells have shown tremendous clinic effects in several cancer patients. However once those genetically modified T cells are adoptively transferred in a patient their reactivity cannot be controlled in case of life-threatening side effects or tumor alterations including antigen loss occur. These limitations encouraged us to develop an on/off switchable universal CAR (UniCAR) platform.
As an optimization of conventional CARs, UniCARs do not bind to a cell surface antigen. In contrast their extracellular single-chain fragment variable (scFv) is redirected to the short peptide epitope E5B9 that is physiologically not presented on the surface of living cells. Consequently the UniCAR T cells are inert. Only in the presence of a target module, that exhibits the E5B9 and binds to a tumor surface target, the UniCAR T cells can be cross-linked to tumor cells and thus get activated to kill them. Recently, we have produced a series of monospecific and bispecific target modules against a series of tumor associated antigens including PSCA, PSMA, CD33, CD123, GD2, and EGFR.
Here we demonstrate in vitro as well as in experimental mice that all these target modules are able to efficiently redirect UniCAR T cells against tumor cells in a strictly target-dependent and target-specific manner. Tumor cell killing occurred at pM target module concentrations and the killing efficacy of UniCAR T cells was comparable to conventional CAR T cells. As measured by ELISA and/or flow cytometry-based multiplex assays redirected UniCAR T cells released pro-inflammatory cytokines including for example TNF, IL-2 and IFN-γ but not IL-6. Bispecific tumor targeting mediated superior tumor cell killing effects than the usage of monospecific target modules whereas the amount of released pro-inflammatory cytokines were not increased. Finally, we have proven that redirected UniCAR T cells can kill luciferase-positive tumor cells in immunodeficient mice. In agreement with the UniCAR concept, target modules showed a very short half-life in peripheral blood, could accumulate in established tumors and were released from UniCAR-target module-complexes in a concentration-dependent manner as measured by dynamic PET analysis in mice.
In summary, we established a controllable UniCAR platform for tumor immunotherapy. The reactivity of UniCAR armed T cells can be switched on and off in the presence or absence of target modules and can be regulated in a dose-dependent manner providing an improved safety of the CAR technology. Moreover a variety of different target modules against a series of different tumor targets can be introduced in the UniCAR platform supporting its high flexibility.
Keywords: tumor immotherapy, T cell retargeting, chimeric antigen receptor
  • Poster
    Third CRI-CIMT-EATI-AACR International Cancer Immunotherapy Conference, 06.-09.09.2017, Mainz, Deutschland
  • Lecture (Conference)
    Third CRI-CIMT-EATI-AACR International Cancer Immunotherapy Conference, 06.-09.09.2017, Mainz, Deutschland

Publ.-Id: 26021 - Permalink

Redirection of human T cells to tumor cells via nanobody-based target modules using the universal chimeric antigen receptor system
Albert, S.; Bergmann, Ralf; Koristka, S.; Feldmann, A.; Arndt, C.; Aliperta, R.; Ehninger, A.; Cartellieri, M.; Ehninger, G.; Steinbach, J.; Bachmann, M.;
In general, adoptive transfer of chimeric antigen receptor (CAR)-expressing T cells has an impressive immunotherapeutic potential. However, due to the time-consuming establishment of new CAR constructs, the risk of life-threatening side effects, and the lack of control mechanisms once infused into patients, we developed a switchable modular CAR platform technology termed UniCAR.
The UniCAR system is composed of two individual components, the universal signal-transducing UniCAR and an exchangeable target module (TM). In contrast to conventional CARs, the single-chain fragment variable (scFv) of the UniCAR binds to a small peptide epitope, which is physiologically not accessible on intact cells. The cross-linkage to tumor cells is mediated via TMs comprising the antigen-specifity and the epitope recognized by the UniCAR. Consequently, UniCAR-engrafted T cells are inert in the absence of redirecting TMs and only switched on in their presence. In addition to the increased safety, the modular structure enables a flexible targeting of different tissue antigens. New TMs can be easily constructed just by fusing the UniCAR epitope to a targeting entity. So far we produced a series of functional scFv-based TMs against different tumor-associated antigens like PSCA, PSMA, GD2 and CD33.
Here we demonstrate that TMs can alternatively contain a nanobody (nb) domain instead of an scFv. Nbs are derived from camelid heavy-chain antibodies, consist of a single variable domain and form the smallest known antigen binding fragments. For redirection of UniCAR T cells to epithelial tumors the frequently overexpressed EGFR is a suitable target antigen. Thus, we generated a nb-based -EGFR TM. As shown by in vitro assays with EGFR+ tumor cell lines, the novel TM efficiently activates UniCAR T cells in a strictly target-specific manner and induces the release of pro-inflammatory cytokines. Furthermore, the data reveal that the -EGFR TM triggers a highly potent tumor lysis at low pM concentrations and redirects UniCAR-engrafted T cells to tumor cells in immunodeficient mice. Using dynamic PET analysis we observed a short half-life of the TM and could confirm its release from UniCAR-TM-complexes. Thereby, it is possible to precisely dose the TM concentration and to rapidly switch the system off in case of adverse side effects. Finally, the -EGFR TM also offers the possibility to image the tumor during therapy. For an increased anti-tumor response we additionally generated a bivalent -EGFR-EGFR TM that shows improved in vitro and in vivo functionality compared to the monovalent construct.
In summary, we established a novel mono- and bivalent nb-based TM for EGFR-specific recruitment of UniCAR T cells which results in an efficient, target-specific and -dependent killing of EGFR+ tumor cells. Thus, we could prove that instead of scFvs also other binding moieties can be used and confirmed the high flexibility of the modular UniCAR platform.
Keywords: CAR T cell therapy, nanobodies, EGFR-targeting
  • Poster
    Third CRI-CIMT-EATI-AACR International Cancer Immunotherapy Conference, 06.09.2017, Mainz, Deutschland

Publ.-Id: 26020 - Permalink

Selenium(IV) sorption onto γ-Al2O3: a consistent description of the surface speciation by spectroscopy and thermodynamic modeling
Mayordomo, N.; Foerstendorf, H.; Lützenkirchen, J.; Heim, K.; Weiss, S.; Alonso, U.; Missana, T.; Schmeide, K.ORC; Jordan, N.
The sorption processes of selenium(IV) onto γ-Al2O3 were studied by in situ vibrational spectroscopy, batch sorption studies, zeta potential measurements and Surface Complexation Modeling (SCM). In the pD range from 5 to 9, in situ Attenuated Total Reflection Fourier-transform Infrared (ATR FT-IR) spectroscopy revealed the predominant formation of a single inner-sphere surface species at the alumina surface irrespective of the presence or absence of atmospherically derived carbonate. The adsorption of Se(IV) decreased with increasing pH, and no impact of the ionic strength was observed in the range from 0.01 to 0.1 mol L−1 NaCl. The formation of inner-sphere surface complexes was also suggested from the shift of pHIEP of γ-Al2O3 observed during zeta potential measurements at the highest Se(IV) concentration applied (10−4 mol L−1). Based on these qualitative findings, the acid-base surface properties of γ Al2O3 and the Se(IV) adsorption edges were successfully described using a 1-pK CD-MUSIC model, using one inner-sphere bidentate surface complex. The results of competitive sorption experiments strongly suggested that the surface affinity of Se(IV) towards γ-Al2O3 is higher than that of dissolved inorganic carbon (DIC). Nevertheless, the competing effect might impact the migration of selenium(IV) by reducing the number of available sorption sites on mineral surfaces. Consequently, this should be taken into account in predicting the environmental fate of selenium(IV).
Keywords: Selenium(IV); Sorption; ATR FT-IR spectroscopy; CD-MUSIC; Alumina, Carbonate; Competition

Publ.-Id: 26019 - Permalink

Development of novel target modules for retargeting of UniCAR T cells to GD2 positive tumor cells
Mitwasi, N.; Feldmann, A.; Bergmann, R.; Berndt, N.; Arndt, C.; Koristka, S.; Kegler, A.; Jureczek, J.; Hoffmann, A.; Ehninger, A.; Cartellieri, M.; Albert, S.; Rössig, C.; Ehninger, G.; Pietzsch, J.; Steinbach, J.; Bachmann, M.;
As the expression of a tumor associated antigen (TAA) is commonly not restricted to tumor cells adoptively transferred T cells modified to express a conventional chimeric antigen receptor (CAR) might not only destroy the tumor cells but also attack target-positive healthy tissues. Furthermore, CAR T cells in patients with large tumor bulks will unpredictably proliferate and put the patients at high risk of adverse side effects including cytokine storms and tumor lysis syndrome. To overcome these problems, we previously established a modular CAR technology termed UniCAR: UniCAR T cells can repeatedly be turned on and off via dosing of a target module (TM). TMs are bispecific molecules which cross-link UniCAR T cells with target cells.
After elimination of the respective TM, UniCAR T cells automatically turn off. Here we describe novel TMs against the disialoganglioside GD2 which is overexpressed in neuroectodermal but also many other tumors. In the presence of GD2-specific TMs, we see a highly efficient target-specific and -dependent activation of UniCAR T cells, secretion of pro-inflammatory cytokines, and tumor cell lysis both in vitro and experimental mice. According to PET-imaging anti-GD2 TM enrich at the tumor site and are rapidly eliminated thus fulfilling all prerequisites of a UniCAR TM.
Keywords: immunotherapy, CAR T cells

Publ.-Id: 26018 - Permalink

Qualification tests of optical coatings in space environment
Pelizzo, M. G.; Corso, A. J.; Tessarolo, E.; Martucci, A.; Donazzan, A.; Böttger, R.; Hübner, R.; Napolitani, E.;
Optical components such as mirrors, filters and windows need to be tested and qualified to verify their resistance in space environments. Future space missions, such as ESA JUICE and SOLO, will operate in harsh environments, rich of ions and electrons. Experiments and development of appropriate protocols are needed to develop proper radiation-hard components and to qualify them.
Keywords: Ions, Coatings, Radiation effects, Nonhomogeneous media, Reflectivity, Optical filters, Protons
  • Contribution to proceedings
    2017 IEEE International Workshop on Metrology for AeroSpace (MetroAeroSpace), 21.-23.07.2017, Padua, Italy: IEEE, 978-1-5090-4234-0
    DOI: 10.1109/MetroAeroSpace.2017.7999570
  • Lecture (Conference)
    IEEE International Workshop on Metrology for AeroSpace (MetroAeroSpace), 21.-23.07.2017, Padua, Italy

Publ.-Id: 26017 - Permalink

Structural and optical studies of Pr implanted ZnO films subjected to a long-time or ultra-fast thermal annealing
Ratajczak, R.; Mieszczynski, C.; Prucnal, S.; Guziewicz, E.; Stachowicz, M.; Snigurenko, D.; Gaca, J.; Böttger, R.; Wojcik, M.; Heller, R.; Skorupa, W.; Borany, J. V.; Turos, A.;
Epitaxial thin ZnO films grown by Atomic Layer Depositionwere implanted with 150 keV Pr ions to a fluence of 1 × 1015 at/cm2. Implanted samples were subjected to two different kinds of annealing: rapid thermal annealing (RTA) and millisecond-range flash lamp annealing (FLA). Structural properties of implanted and annealed ZnO and the optical response were evaluated by the Channeling Rutherford Backscattering Spectrometry (RBS/c), High-resolution X-ray diffraction and Photoluminescence Spectroscopy (PL), respectively. The results shown, that both annealing techniques lead to recrystallization of the ZnO lattice, that was damaged during the ion implantation. Upon RTA performed at 800 °C a return of Zn atoms from interstitial to their regular site positions is accompanied by rejection of primarily substitutional Pr atoms to the interstitial sites. Consequently, it leads to the out-diffusion and precipitation of Pr atoms on the surface. In contrast to RTA, the diffusion of implanted Pr during a millisecond range FLA treatment is completely suppressed. Despite differences in location of Pr inside the ZnO matrix after FLA and RTA, both annealing techniques lead to the optical activation of Pr3+. Interestingly, our RBS/c study for as implanted layers also revealed the anomalous damage peak, called intermediate peak (IP) located between the expected surface and the bulk damage peak. The PL spectra clearly suggest, that the defect which forms the IP, can be assigned to Zn interstitials. The long-time annealing at 800 °C in oxygen atmosphere causes the complete removal of the IP.
Keywords: Zinc oxide Atomic layer deposition Rare-earth Ion implantation Praseodymium Rapid thermal annealing Flash lamp annealing Channeling Rutherford backscattering spectrometry High-resolution X-ray diffraction Photoluminescence

Publ.-Id: 26016 - Permalink

Dosimetric evidence confirms computational model of magnetic field induced dose distortions of therapeutic proton beams
Schellhammer, S. M.ORC; Gantz, S.; Lühr, A.; Oborn, B. M.; Bussmann, M.; Hoffmann, A. L.
Given the sensitivity of proton therapy to anatomical variations, this cancer treatment modality is expected to benefit greatly from integration with magnetic resonance (MR) imaging. One of the obstacles hindering such an integration are strong magnetic field induced dose distortions. These have been predicted in simulation studies, but no experimental validation has been performed so far. Here we show the first measurement of planar distributions of dose deposited by therapeutic proton pencil beams traversing a one-Tesla transversal magnetic field while depositing energy in a tissue-like phantom using film dosimetry. The lateral beam deflection ranges from one millimeter to one centimeter for 80 to 180 MeV beams. Simulated and measured deflection agree within one millimeter for all studied energies. These results proof that the magnetic field induced proton beam deflection is both measurable and accurately predictable. This demonstrates the feasibility of accurate dose calculation as well as measurement within the framework of MR-integrated proton therapy.

Publ.-Id: 26015 - Permalink

Electrical behaviour of carbon nanotubes under low-energy proton irradiation
Abbe, E.; Schüler, T.; Klosz, S.; Starruß, E.; Pilz, W.; Böttger, R.; Kluge, O.; Schmiel, T.; Tajmar, M.;
Several applications for carbon nanotubes (CNT) have been proposed for space applications in the last years. However, their behaviour in the harsh space environment is mostly unknown. Energetic particles such as protons can influence the material degradation in space. This material damage could result in a system failure of space systems. Therefore it is necessary to investigate the performance of new materials under proton irradiation.

Screen and jet printed disordered single-walled carbon nanotubes (SWNT), multi-walled carbon nanotubes (MWNT) and multi-walled carbon nanotubes/resin composites (ME) were exposed to 1 keV, 15 keV and 100 keV protons. The electrical behaviour of the CNT conductor paths was measured during the experiment. After this exposure, the CNTs were analyzed using Raman scattering and a scanning electron microscope (SEM).

Their is a clear evidence that proton radiation can destroy carbon nanotubes and influence their electrical performance.
Keywords: Mulltiwalled carbon nanotubes; Single walled carbon nanotubes; Irradation; Protons; Enviromental behaviour

Publ.-Id: 26014 - Permalink

Beam loading limited high peak current laser wakefield accelerators
Köhler, A.ORC; Couperus, J. P.ORC; Krämer, J. M.; Kurz, T.; Zarini, O.; Pausch, R.; Debus, A.; Garten, M.; Hübl, A.; Bussmann, M.; Schramm, U.; Irman, A.ORC
Laser wakefield accelerators (LWFA) can potentially generate high-peak current electron beams at the order of a few tens of kiloAmperes which are very attractive as drivers for compact secondary radiation sources ranging from THz up togamma-ray or as drivers for beam driven wakefield accelerators (PWFA).
The phenomenon of beam loading affects the amount of trapped charge inside the plasma cavity while influencing the final beam parameters, i.e., transverse emittance and maximum attainable energy and spread.
We experimentally investigate these effects in the self-truncated ionization injection scheme (STII) by loading several hundreds of pC of charge into the wakefield within a monoenergetic bunch. We explore the influence of beam loading on electron energy, energy spread and beam divergence. We show that beam quality is maintained up to an estimated peak-current of 30 kA, which is an order of magnitude higher than can be reached in current state-of-the-art conventional electron accelerators.
  • Poster
    8th International Particle Accelerator Conference, 14.05.2017, Copenhagen, Denmark

Publ.-Id: 26013 - Permalink

Investigation of electron dynamics in a ionization-injection laser-wakefield accelerator via betatron radiation
Koehler, A.ORC; Couperus, J. P.ORC; Zarini, O.; Pausch, R.; Krämer, J. M.; Debus, A.; Irman, A.; Bussmann, M.; Schramm, U.ORC
The features of betatron radiation emitted from accelerated electrons in a laser-wakefield accelerator can help as a diagnostic tool to investigate their dynamics during the acceleration. Here we describe our recent LWFA experiments deploying the ionization induced injection technique carried out with the Draco Ti:Sapphire laser. Equipped with an 2D spectroscopy technique based on single pixel absorption events, we analyze the spectral features of the emitted betatron radiation for a set of different plasma densities. Combined with electron spectra acquired at the same time, the betatron source size for a set of different electron bunches is deduced.
  • Lecture (Conference)
    SPIE Optics + Optoelectronics, 24.04.2017, Prague, Czech Republic

Publ.-Id: 26012 - Permalink

Singularity consideration in the integral equations for contactless inductive flow tomography
Jacobs, R. T.; Wondrak, T.; Stefani, F.;
The Contactless Inductive Flow Tomography is a procedure that enables the reconstruction of the global three-dimensional flow structure of an electrically conducting fluid by measuring the flow induced magnetic flux density outside the melt and by subsequently solving the associated linear inverse problem. The accurate computation of the forward problem which is essential for the inversion represents the focal point of this investigation. The tomography procedure is described by a system of coupled integral equations where the integrals contain a singularity when a source point coincides with a field point. The contribution of a singular point to the value of the surface and volume integrals in the system is considered in detail. A significant improvement of the accuracy is achieved by applying higher order elements and by attributing special attention to the singularities inherent in the integral equations. The treatment of the singularities described in this investigation is similar to the procedure applied in the boundary element method. It represents a novelty in the Contactless Inductive Flow Tomography.
Keywords: Contactless inductive flow tomography, magnetohydrodynamics, integral equations, inverse problems
  • The International Journal for Computation and Mathematics in Electrical and Electronic Engineering 37(2018)4, 1366-1375
    DOI: 10.1108/COMPEL-08-2017-0361

Publ.-Id: 26010 - Permalink

Inclusion of Incidental Radiation Dose to the Cardiac Atria and Ventricles Does Not Improve the Prediction of Radiation Pneumonitis in Advanced-Stage Non-Small Cell Lung Cancer Patients Treated With Intensity Modulated Radiation Therapy
Wijsman, R.; Dankers, F. J. W. M.; Troost, E. G. C.; Hoffmann, A. L.; van der Heijden, E. H. F. M.; de Geus-Oei, L.-F.; Bussink, J.;
Purpose: To evaluate if inclusion of incidental radiation dose to the cardiac atria and ventricles improves the prediction of Grade ≥3 radiation pneumonitis (RP) in advanced stage non-small cell lung cancer (AS-NSCLC) patients treated with intensity-modulated radiation therapy or volumetric-modulated arc therapy.
Material and methods: Using a bootstrap modelling approach, clinical parameters and dose-volume histogram (DVH) parameters of lungs and heart (assessing atria and ventricles separately and combined) were evaluated for RP prediction in 188 AS-NSCLC patients.
Results: After a median follow-up of 18.4 months, 26 patients (13.8%) developed RP. Only the median mean lung dose (MLD) differed between groups (15.3 Gy vs 13.7 Gy for the RP and non-RP group, respectively; p=0.004). The MLD showed the highest Spearman correlation coefficient (Rs) for RP (Rs=0.21; p<0.01). Most Rs of the lung DVH parameters exceeded those of the heart DVH parameters. After bootstrap modelling, the heart DVH parameters were seldom included in the model predicting Grade ≥3 RP. The optimal model for RP consisted of the parameters: MLD and cardiac comorbidity (area under the curve: 0.71).
Conclusion: Incidental dose to the cardiac atria and ventricles did not improve RP risk prediction in our cohort of AS-NSCLC patients.
Keywords: Non-small cell lung cancer; Intensity-modulated radiation therapy; Volumetric-modulated arc therapy; radiation pneumonitis; cardiac exposure.

Publ.-Id: 26009 - Permalink

Use of small animal PET/MRI for internal radiation dose assessment
Kranz, M.;
The thesis is based on three publications investigating newly developed radiotracers in different animal models. The radiation safety and biodistribution has to be proven prior to the application of first-in-man studies. Resultantly, based on the preclinical dosimetry presented herein, a clinical trial was approved by the competent authorities of Germany for (-)-[18F]flubatine, (+)-[18F]flubatine and (S)-(-)-[18F]fluspidine. Although the radiation safety was proven for (R)-(+)-[18F]fluspidine too, so far it is used in preclinical studies only.
  • Doctoral thesis
    Universität Leipzig, 2017
    Mentor: Prof. Brust, Prof. Sattler

Publ.-Id: 26008 - Permalink

Laser-driven proton acceleration from a solid hydrogen ribbon
Kraft, S.;
In the last years, more and more high repetition rate ultrahigh power lasers are build. In order to use the novel capabilities in applications with laser accelerated ion beams, new target types have to be developed. These targets have to fulfil two conditions: they have to stand several hundreds or even thousands of shots and produce as less debris as possible in order to spare the expensive optics. Promising candidates are pure hydrogen targets.
Here we report on experiments with a solid hydrogen ribbon performed at the ELFIE facility in France and compare the results to shots on normal metal and plastic foils.
  • Invited lecture (Conferences)
    Laserlab User Meeting, 27.-29.08.2017, Vilnius, Litauen

Publ.-Id: 26007 - Permalink

Helmholtz International Beamline for Extreme Fields: A stroke of luck for High-Intensity Lasers at the European XFEL
Schlenvoigt, H.-P.ORC; Cowan, T.ORC
We will present the status of HiBEF, a UserConsortium driving HED science at the European X-ray Free Electron Laser, and discuss a possible route towards the detection of Vacuum Birefringence.
Keywords: HiBEF XFEL HED Vacuum Birefringence
  • Invited lecture (Conferences)
    2nd Conference on Extremely High Intensity Laser Physics, 05.09.2017, Lisbon, Portugal

Publ.-Id: 26006 - Permalink

X-ray polarimetry of high-intensity laser-driven phenomena
Schlenvoigt, H.-P.ORC
The talk will present two prominent examples of X-ray polarimetry, namely Faraday rotation and vacuum birefringence. A general model for polarimetry will be presented. Detailed technical requirements from both XFEL and optical laser will be discussed.
Keywords: HiBEF XFEL Faraday Rotation Polarimetry
  • Lecture (Conference)
    High Intensity Laser Matter Science at The HED Instrument at The European XFEL, 06.04.2017, Schenefeld, Deutschland

Publ.-Id: 26005 - Permalink

Novel insights into the covalent bonding character of tetravalent actinide complexes with N-donor ligands
Kloditz, R.; Radoske, T.; Schöne, S.; Patzschke, M.; Stumpf, T.;
The electronical properties of f-elements, especially of the actinides, are a very puzzling topic to investigate. The frontier orbitals (5f, 6d, 7s) all lying in a similar energy regime along with open shells and relativistic effects contribute to a very complex situation, where single-reference methods like DFT and Hartree-Fock may be not suitable any more. In recent years, the investigation of actinides in combination with organic ligands revealed a very rich chemistry with many forms of coordination and chemical bonding. Besides that, many visually appealing and intuitive tools have been developed, with which the chemical bond can be analysed. These tools for bond analysis include natural-bonding orbitals (NBO) and density-difference plots. The aim of this study is therefore to apply these bond analysis tools to a range of tetravalent actinide complexes with N- donor ligands, like Schiff bases and amidinates, to elucidate their complicated electronic properties. Thermodynamic computations on the stability of the complexes will also be presented to understand the chemical properties of the actinides and predict yet unknown complexes.
Keywords: Actinides, theoretical chemistry, real-space bonding analysis, non-covalent interactions
  • Poster
    Relativistic Effects on heavy Element Chemistry and Physics, 02.-06.09.2017, Marburg, Deutschland

Publ.-Id: 26004 - Permalink

GMaps – eine dreidimensinale Datenstruktur zur Modellierung und Simulation von realen Erz-Mikrostrukturen
Menzel, P.;
Zur Bestimmung der optimalen Prozessketten zur Verarbeitung von Komplexerzen muss der gesamte Prozess simuliert und auf spezifisches Eingabematerial optimiert werden. Für diese Simulation ist die genaue Kenntnis der Mikrostruktur im Erzkörper notwendig.
Diese Erz-Mikrostruktur ist sehr komplex und kann nur mit sehr allgemeinen Datenstrukturen digital abgebildet und verarbeitet werden. Wir verwenden dafür ein Konzept genannt „Generalized Map“, dass es erlaubt, nahezu beliebige Vermaschungen innerhalb von natürlichen Körpern abzubilden und dennoch sehr effizient auf die einzelnen Bestandteile zugreifen zu können.

In dieser Arbeit werden die Verwendung von Generalized Maps zur Modellierung und Simulation von Erz-Mikrostrukturen und verschiedenen Anwendungen vorgestellt.
Keywords: GMaps, Mikrostrukturen/Microstruccures
  • Lecture (others)
    Geophysikalisches Barbara-Kolloquium, 02.12.2017, Freiberg, Deutschland

Publ.-Id: 26003 - Permalink

Thermally induced magnetic switching in bit-patterned media
Pfau, B.; Günther, C. M.; Hauet, T.; Eisebitt, S.; Hellwig, O.;
We have studied the thermal variation of the switching field of magnetic islands at room temperature. A model bit-pattern media composed of an assembly of islands with 80 nm width was fabricated by sputter deposition onto a pre-patterned substrate. Using direct magnetic-contrast imaging of the islands under applied field, we extract the switching probabilities of individual islands. Based on an analytical model for the thermally activated switching of the islands, we are able to determine the intrinsic magnetic anisotropy of each island and, consequentially, a distribution of anisotropies for the island ensemble investigated. In the distribution, we identify a separated group of islands with a particularly small anisotropy. We attribute this group to islands containing misaligned grains triggering the magnetic reversal. At room temperature and slow field sweep rates, the observed thermal broadening of the switching-field distribution is small compared to the intrinsic broadening. However, we illustrate that thermal fluctuations play a crucial role at high sweep rates by extrapolating our results to technological relevant regimes.


Publ.-Id: 26002 - Permalink

Magnonic band structure in a Co/Pd stripe domain system investigated by Brillouin light scattering and micromagnetic simulations
Banerjee, C.; Gruszecki, P.; Klos, J. W.; Hellwig, O.; Krawczyk, M.; Barman, A.;
By combining Brillouin light scattering and micromagnetic simulations, we studied the spin-wave (SW) dynamics of a Co/Pd thin film multilayer, which features a stripe domain structure at remanence. The periodic up and down domains are separated by corkscrew type domain walls. The existence of these domains causes a scattering of the otherwise bulk and surface SW modes, which form mode families, similar to a one-dimensional magnonic crystal. The dispersion relation and mode profiles of SWs are measured for the transferred wave vector parallel and perpendicular to the domain axis.


Publ.-Id: 26001 - Permalink

Core degradation analysis for a generic German PWR with the severe accident code ATHLET-CD
Wilhelm, P.; Jobst, M.;
The progress of core degradation as well as evaluation of time spans for key events during the accident evolvement provides essential information related to the safety assessment of nuclear power plants. Knowledge is gained from performed experimental programmes which support the development of computer models incorporated in computer codes for analysis of severe accidents. Severe accident codes are applied since decades and constantly improved on the basis of gained new knowledge. Code-to-experiment comparison as well as code-to-code comparison is of paramount importance for the verification and validation of the codes.
For assessment of the core degradation progression in a generic German pressurized water reactor of type KONVOI a computer model based on the severe accident code ATHLET-CD was applied. The model was primarily developed within the frames of the joint research project WASA-BOSS (Weiterentwicklung und Anwendung von Severe Accident Codes – Bewertung und Optimierung von Störfallmaßnahmen) funded by the German Federal Ministry of Education and Research. The model was applied for simulation and analysis of accidents with core degradation from two main groups of accidents – station blackout and small-break loss-of-coolant-accident. For the current paper we have focused on analysis of core degradation during a hypothetical station blackout severe accident scenario. Analysed is the severe accident progression with failure of the safety barriers providing insights into the main phenomena which could arise in such an accident like core heat-up, cladding failure, release of fission products, hydrogen production, core degradation and reactor pressure vessel failure.
The analysis of the simulation results showed the applicability of the developed model for simulation of accidents with core degradation from the initiating event until failure of the reactor pressure vessel. The model was tested for simulations with varying the fuel burnup, with main focus on the release of the fission products from the core.
Keywords: Core Degradation, Severe Accident, Generic German PWR, ATHLET-CD, Fission Product Release, Burnup
  • Lecture (Conference)
    IAEA Technical Meeting on the Status and Evaluation of Severe Accident Simulation Codes for Water Cooled Reactors (I3-TM-54660), 09.-12.10.2017, Vienna, Austria

Publ.-Id: 26000 - Permalink

Synthesis and X-ray Crystal Structure of N’-Cyano-N,N’-dimethyl-4-nitrobenzohydrazide
Löser, R.ORC; Pitzschler, R.; Köckerling, M.
Using a two-step procedure N’-Cyano-N,N’-dimethyl-4-nitrobenzohydrazide was synthesized. The structure was established using single crystal X-ray diffraction. It crystalized in the orthorhombic space group P212121 with a = 8.1974(6), b = 10.6696(7), and c = 12.9766(8) Å. The first reported crystal structure of an acyclic cyanohydrazide is discussed with the focus on the geometry of the hydrazide moiety but also intermolecular contacts in the crystal are considered. Implications of the structural findings towards the enzyme inhibitory activity of related azapeptide nitriles are indicated.

Publ.-Id: 25999 - Permalink

Time-lapse 3D imaging by positron emission tomography of Cu mobilized in a soil column by the herbicide MCPA
Kulenkampff, J.; Stoll, M.; Gründig, M.; Mansel, A.; Lippmann-Pipke, J.; Kersten, M.;
Phenoxyalkanoic acids like the 4-chloro-2-methylphenoxyacetic acid (MCPA) are the second highest used xenobiotic herbicides worldwide after glyphosate because of their apparently favorable environmental properties. Experimental batch equilibration data suggested a reduced Cu adsorption efficiency with the soil mineral goethite below pH 6 in presence of MCPA. This has been verified by advanced surface complexation adsorption modelling involving dissolved Cu-MCPA complexation constants. Positron emission tomography is a non-invasive molecular imaging method for time-resolved three-dimensional information commonly applied on non-retarded tracers in soil core scale experiments. Mineral surface reactive tracers like Cu-64 are too immobile for the relatively short observation times available with this advanced imaging technique. However, Cu-64 radiolabeled Cu-MCPA complex migration could be observed in as long as 10-cm artificial soil test columns where break-through occurred within a few days. For the first time, time-lapse movies of Cu migration in the opaque soil columns were recorded using this novel reactive transport process tomography approach.
Keywords: PET, reactive transport, soil, process tomography


Publ.-Id: 25998 - Permalink

Radiative and non-radiative de-excitation of slow highly charged ions transmitted through freestanding single layer graphene
Wilhelm, R. A.; Schwestka, J.; Gruber, E.; Heller, R.; Kozubek, R.; Schleberger, M.; Facsko, S.; Aumayr, F.;
Slow highly charged ions interacting with a solid surface undergo an ultrafast charge exchange combined with a rapid electronic de-excitation within less than 10 fs. These processes involve capture of some 10 electrons, emission of at least some 10 additional electrons from the surface and radiative as well as non-radiative de-excitation of the ion. To investigate the branching ratio of radiative vs. non-radiative de-excitation we measured x-ray emission of highly charged Ar ions with two, one or no K-shell hole(s) when they are transmitted through a freestanding single layer of graphene.
  • Lecture (Conference)
    Conference on Ion-Surface Interactions 2017 (ISI2017), 20.-25.08.2017, Moskau, Russland

Publ.-Id: 25997 - Permalink

Oncoidal granular iron formation in the Mesoarchaean Pongola Supergroup, southern Africa: Textural and geochemical evidence for biological activity during iron deposition
Smith, A. J. B.; Beukes, N. J.; Gutzmer, J.; Czaja, A. D.; Johnson, C. M.; Nhleko, N.;
We document the discovery of the first granular iron formation (GIF) of Archaean age and present textural and geochemical results that suggest these formed through microbial iron oxidation. The GIF occurs in the Nconga Formation of the ca. 3.0–2.8 GacPongola Supergroup in South Africa and Swaziland. It is interbedded with oxide and silicate facies micritic iron formation (MIF). There is a strong textural control on iron mineralization in the GIF not observed in the associated MIF. The GIF is marked by oncoids with chert cores surrounded by magnetite and calcite rims. These rims show laminated domal textures, similar in appearance to microstromatolites. The GIF is enriched in silica and depleted in Fe relative to the interbedded MIF. Very low Al and trace element contents in the GIF indicate that chemically precipitated chert was reworked above wave base into granules in an environment devoid of siliciclastic input. Microbially mediated iron precipitation resulted in the formation of irregular, domal rims around the chert granules. During storm surges, oncoids were transported and deposited in deeper water environments. Textural features, along with positive δ56Fe values in magnetite, suggest that iron precipitation occurred through incomplete oxidation of hydrothermal Fe2+ by iron-oxidizing bacteria. The initial Fe3+-oxyhydroxide precipitates were then post-depositionally transformed to magnetite. Comparison of the Fe isotope compositions of the oncoidal GIF with those reported for the interbedded deeper water iron formation (IF) illustrates that the Fe2+ pathways and sources for these units were distinct. It is suggested that the deeper water IF was deposited from the evolved margin of a buoyant Fe2+aq-rich hydrothermal plume distal to its source. In contrast, oncolitic magnetite rims of chert granules were sourced from ambient Fe2+aq-depleted shallow ocean water beyond the plume.

Publ.-Id: 25996 - Permalink

Incorporation of Europium(III) into Scheelite-Related Host Matrices ABO4 (A = Ca2+, Sr2+, Ba2+; B = W6+, Mo6+): Role of A- and B- Sites on the Dopant Site-Distribution and Photoluminescence
Xiao, B.; Schmidt, M.;
Scheelite and powellite related materials doped with trivalent lanthanides or actinides have been the subject of extensive research due to their important role in mineralogical, technological and environmental implications. Detailed structural knowledge of these solid solutions is essential for understanding their physicochemical properties and predicting material properties. In this work, we conduct a comprehensive spectroscopic analysis by means of polarization-dependent site-selective time resolved laser-induced fluorescence spectroscopy (p-TRLFS), to delineate the influence of the host phase cations for a series of scheelite-type matrices based on a general formulae of ABO4 (A = Ca2+, Sr2+, Ba2+; B = W6+, Mo6+) on the local environment of the Eu3+ dopant. Eu3+ has been used as a luminescent probe to access the local structural environment of crystalline substitutional sites suitable for trivalent lanthanides or actinides occupation. Our results show that the lattice distortion is overall minor, but increases with increasing mismatch of host and guest cation size. We observe a linear dependence of Eu3+’s excitation energy on the host cation size and the A – O bond distance, which can be used to determine the hitherto unknown Eu – O bond distance in NaEu(WO4)2. A value of 2.510 Å was determined, somewhat larger than a previously reported number for NaEu(MoO4)2. The results also show clear evidence that the local coordination environment of Eu in WO42- materials is more symmetrical than in their isostructural MoO42- counterparts. The detailed spectroscopic interpretation conducted in this study resolves the relation between local distortion around a dopant and the host phase cations in structural disordered materials and may give novel insights with respect to rational design and tailoring of functional materials.
Keywords: scheelite, laser spectrum, TRLFS, site symmetry


Publ.-Id: 25995 - Permalink

Time-resolved imaging of the gyration dynamics of magnetic bubbles and magnetic skyrmioniums
Finizio, S.; Wintz, S.; Kirk, E.; Weigand, M.; Raabe, J.;
Time-resolved imaging of the gyration dynamics of magnetic bubbles and magnetic skyrmioniums
Keywords: magnetism, spin dynamics, skyrmionium, x-ray microscopy
  • Poster
    62nd Annual Magnetism & Magnetic Materials Conference, 06.-10.11.2017, Pittsburgh, USA

Publ.-Id: 25994 - Permalink

Imaging of magnetic materials at sub-µm and sub-ns resolutions at the Pollux endstation of the Swiss Light Source
Finizio, S.; Wintz, S.; Watts, B.; Raabe, J.; Keywords: magnetism, x-ray microscopy
  • Poster
    62nd Annual Magnetism & Magnetic Materials Conference, 06.-10.11.2017, Pittsburgh, USA

Publ.-Id: 25993 - Permalink

Imaging of magnetic skyrmions with the PolLux endstation of the Swiss Light Source
Finizio, S.; Wintz, S.; Watts, B.; Raabe, J.; Keywords: magnetism, x-ray microscopy, skyrmions
  • Poster
    Skymag 2017, 02.-05.05.2017, Paris, Frankreich

Publ.-Id: 25992 - Permalink

Frequency- and Amplitude Modulation of Spin-Wave Signals generated in Topological Spin Textures
Wintz, S.; Finizio, S.; Schultheiss, K.; Liersch, V.; Kilibarda, F.; Warnatz, T.; Suszka, A. K.; Warnicke, P.; Wohlhüter, P.; Erbe, A.; Lindner, J.; Raabe, J.; Fassbender, J.ORC Keywords: magnetism, spin waves, x-ray microscopy
  • Poster
    IEEE International Magnetics Conference, 24.-28.04.2017, Dublin, Irland

Publ.-Id: 25991 - Permalink

In-situ membrane bending setup for the investigation of magnetostrictive materials with XMCD-STXM imaging
Finizio, S.; Wintz, S.; Kirk, E.; Raabe, J.; Keywords: magnetism, magnetostriction, spin dynamics
  • Poster
    IEEE International Magnetics Conference, 24.-28.04.2017, Dublin, Irland

Publ.-Id: 25990 - Permalink

Spin textures as local and tunable spin-wave emitters
Wintz, S.; Sluka, V.; Dieterle, G.; Weigand, M.; Tiberkevich, V.; Schneider, T.; Gallardo, R. A.; Finizio, S.; Erbe, A.; Lindner, J.; Schütz, G. A.; Slavin, A. N.; Raabe, J.; Fassbender, J.ORC Keywords: magnetism, spin waves, x-ray microscopy
  • Invited lecture (Conferences)
    62nd Annual Magnetism & Magnetic Materials Conference, 06.-10.11.2017, Pittsburgh, USA

Publ.-Id: 25989 - Permalink

Spin Wave Emission from Topological Spin Textures
Wintz, S.; Sluka, V.; Schneider, T.; Kakay, A.; Weigand, M.; Schultheiss, K.; Warnatz, T.; Mattheis, R.; Gallardo, R. A.; Roldan-Molina, A.; Landeros, P.; Tiberkevich, V.; Slavin, A.; Erbe, A.; Deac, A.; Lindner, J.; Fassbender, J.ORC; Raabe, J. Keywords: magnetism, spin waves, x-ray microscopy
  • Invited lecture (Conferences)
    Moscow International Symposium on Magnetism, 01.-05.07.2017, Moskau, Russische Föderation

Publ.-Id: 25988 - Permalink

Tailoring the gyrotropic resonance of magnetic vortices by strain
Finizio, S.; Wintz, S.; Kirk, E.; Suszka, A.; Gliga, S.; Wohlhüter, P.; Zeissler, K.; Raabe, J.; Keywords: magnetism, vortex, magnetostriction, spin dynamics
  • Lecture (Conference)
    62nd Annual Magnetism & Magnetic Materials Conference, 06.-10.11.2017, Pittsburgh, USA

Publ.-Id: 25987 - Permalink

Control of the magnetic vortex core dynamics in magnetostrictive microstructured elements through the Magneto-Elastic coupling
Finizio, S.; Wintz, S.; Kirk, E.; Suszka, A.; Gliga, S.; Raabe, J.; Keywords: magnetism, vortex, magneto elastic, spin dynamics
  • Lecture (Conference)
    IEEE International Magnetics Conference, 24.-28.04.2017, Dublin, Ireland

Publ.-Id: 25986 - Permalink

Software commissioning of a Monte-Carlo model for the double-scattering treatment head at University Proton Therapy Dresden
Eulitz, J.; Lühr, A.; Enghardt, W.; Lutz, B.;
Compared to treatment planning systems (TPS) in proton therapy, Monte-Carlo simulations have the potential to describe radiation fields in patients more precisely. However, next to an accurate Monte-Carlo model of the treatment head a benchmarking with respect to dose measurements is required. The purpose of this work was to set up and validate a Monte-Carlo simulation model of the clinical proton treatment fields at the University Proton Therapy Dresden (UPTD).
A detailed model of the treatment head geometry of the UPTD in double-scattering mode was implemented using the Monte-Carlo simulation environment TOPAS. The proton beam source was optimized to match measured reference depth-dose distributions for all clinically available treatment field options. The commissioned software model was validated against an independent set of depth-dose and lateral dose validation data measured in a water phantom. A setup for the direct simulation of so-called monitor units (MU), relating dosimeter readings in the treatment head to absolute dose in a water phantom, was implemented.
Validation data on depth-dose distributions were reproduced within range differences of 0.26 mm and a relative dose uncertainty of 1% for all treatment options (i.e., comparable to measurement uncertainties). Simulated lateral dose profiles differed from validation data in lateral width and penumbra less than 0.95 mm and 0.56 mm, respectively. Measured MU values were predicted within 2% accuracy for several reference and patient treatment fields.
The commissioned Monte-Carlo model reproduced the dose validation data measured during the clinical validation of the UPTD within clinical tolerances. This enables high-precision simulations of clinical proton beams. Furthermore, it has the potential to predict absolute doses and to use patient-specific MU values, which might decrease the patient-specific measurement effort at UPTD.
This, however, requires further validation.
  • Lecture (Conference)
    Jahrestagung der BIOMEDIZINISCHEN TECHNIK und Dreiländertagung der MEDIZINISCHEN PHYSIK, 10.-13.09.2017, Dresden, Deutschland

Publ.-Id: 25985 - Permalink

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