Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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34800 Publications

Synthesis and SERT Binding Properties of 5-Fluoroindol-3-yl cyclobutylamines

Scheunemann, M.; Steinbach, J.

Several mental diseases are associated with disorders of the serotonergic neurotransmission.[1] The serotonin transporter (SERT) regulates the synaptic concentration of this neurotransmitter and represents a primary target in the development of antidepressant drugs. Indol-3-yl-cyclo-alkanyl/-alkenyl amines (CnH2n-2(4), n=6,5,3), considered as conformationally constrained analogues of 5-hydroxytryptamine (5-HT, serotonin), have been introduced as a class of candidates holding highly potent SERT inhibitors[.2] In the search for new SERT ligands for PET with improved binding profiles we turned our interest towards rigid structures containing a 1,3-disubstituted cyclobutane (CnH2n-2, n=4), as spacer between the indole moiety and the amino group.
The present work describes our work on the synthesis and biological evaluation of the mono-fluorinated (2a,3a,4a) and double-fluorinated target molecules (1 b,2b).
The carbonyl group of both 3-(2-benzyloxy-ethyl)- and 3-(3-benzyloxy-propyl)cyclobutanone was converted by appropriate steps to yield the N-methyl, N-Boc protected cis- or trans-cyclobutyl amines. After removing the O-benzyl group, the alcohol was oxidized to the aldehyde applying the known TEMPO (2,2,6,6-tetramethyl-1-piperidinyloxy) procedure. The secondary amines (1a-4a) were then directly obtained from the cyclobutyl aldehyde precursor via Fischer indole synthesis; for the tertiary amines 1 b and 2b an N-alkylation of 1 a and 2a with 3-fluoropropyliodide was performed.
Displacement experiments on hSERT-HEK293 cells labeled with [3H]citalopram have shown that cis-derivatives (Ki values: 1 b, 6.74±0.79 nM; 2a, 5.43±0.54 nM; 2b, 6.31 ±1 .37 nM) have nanomolar affinity for human SERT. The trans compound shows somewhat lower affinity (3a, 10.7±1.88 nM). By contrast, parallel studies applying [3H]paroxetine as radioligand indicated significantly lower SERT affinities [90 nM < Ki (1 b,2a,2b,3a,4a) <155 nM]. Thus, potential radiotracers based on the new derivatives may be able to selectively label the citalopram binding site of the SERT.
We have developed a general access to 5-fluoroindol-3-yl cyclobutylamines both in cis(1a, 1b, 2a, 2b) and trans-configuration (3a, 4a) obtained from readily accessible starting materials. Five synthesized compounds (1b, 2a, 2b, 3a, 4a) displayed promising affinities for SERT.

Keywords: SERT; cyclobutylindole

  • Poster
    Frontiers in Medicinal Chemistry, 14.-17.03.2010, Münster, Germany

Publ.-Id: 14291

High regiocontrol in the nucleophilic ring opening of 3-aralkyl-7-oxa-3-aza-bicyclo[4.1.0]heptanes with aliphatic and aromatic amines – A new short-step synthesis of FBT (4-fluorobenzyltrozamicol)

Scheunemann, M.; Steinbach, J.

The 3,4-disubstituted piperidine framework plays an important role in many fields of pharmaceutical research[1] The ring opening of a conformationally rigid oxirane, annelleted to an N-protected six membered piperidine by an amine nucleophile, is a powerful method for establishing a trans-beta-aminoalcohol at the 3,4-position. Compounds derived from azavesamicol (trozamicol), which have been reported as usefulligands for the vesicular acetylcholine transporter (VAChT),[2] are displaying a 3-amino-piperidin-4-ol as a consistent structural feature. As part of our efforts in the search for new VAChT ligands for F18-PET (positron emission tomography) we have found a regioselective ring opening approach applying 3-(4-fluorobenzyl)-7-oxa-3-azabicyclo[4.1.0]heptane, which was utilized for a new 4-step synthesis of 4-fluorobenzyltrozamicol.
In contrast to former methodology, processing a common acyl[3] or carbamoyl[4] protective group at the piperidine nitrogen, we choose an N-benzyl protection. Starting from pyridine, which was converted to an N-4-fluorobenzylpyridinium salt, we obtained the corresponding N-protected 1,2,3,6-tetrahydropyridine via a standard hydrogenation using NaBH4 in EtOH. It was possible to epoxidize the olefine in high yield without interfering the basic tertiary amine, if applying trifluoroacetic acid in combination with its anhydride and H2O2-urea. As expected, the LiCIO4 assisted reaction of 1-aralkyl-3,4-epoxypiperidines with a series of aliphatic and aromatic amines in acetonitril led to a regioselective attack at position 4 of the piperidine to obtain 1-aralkyl-4-amino-piperidin-3-ol.[5] However, if applying EtOH as a protic solvent, without a coordinating Li-cation as additive, the inverse reg ioselectivity was observed. In this case, 1-aralkyl-3-aminopiperidin-4-oIs were derived as main products from the cleavage of the epoxy C-O bond at position 3. Following these protocols the aminoalcohol products were obtained as pure compounds by simple work-up without the need of chromatographic
In summary, we present an efficient method for the preparation of 3-amino-4-hydroxypiperidines and its regioisomers in 4-steps. The highly VAChT affine 4-fluorobenzyltrozamicol was obtained in an overall yield of 35%.

Keywords: VAChT; epoxide ring opening; 4-fluorobenzyltrozamicol; FBT

  • Poster
    Frontiers in Medicinal Chemistry, 14.-17.03.2010, Münster, Germany

Publ.-Id: 14290

Fibre agglomerate transport in a horizontal flow

Cartland Glover, G. M.; Krepper, E.; Kryk, H.; Weiss, F. P.; Renger, S.; Seeliger, A.; Zacharias, F.; Kratzsch, A.; Alt, S.; Kästner, W.

An experimental and theoretical study of the transport of mineral wool fibre agglomerates in nuclear power plant containment sumps is being performed. A racetrack channel was devised to provide data for the validation of numerical models, which are intended to model the transport of fibre agglomerates. The racetrack channel provides near uniform and steady conditions that lead to either the sedimentation or suspension of the agglomerates. Various experimental techniques were used to determine the velocity conditions and the distribution of the fibre agglomerates in the channel. The fibre agglomerates are modelled as fluid particles in the Eulerian reference frame. Simulations of pure sedimentation of a known mass and volume of agglomerations show that the transport of the fibre agglomerates can be replicated. The suspension of the fibres is also replicated in the simulations; however, the definition of the fibre agglomerate phase is strongly dependent on the selected density and diameter. Detailed information on the morphology of the fibre agglomerates is lacking for the suspension conditions, as the fibre agglomerates may undergo breakage and erosion. Therefore, ongoing work, which is described here, is being pursued to improve the experimental characterisation of the suspended transport of the fibre agglomerates.

  • Lecture (Conference)
    Benchmarking of CFD Codes for Application to Nuclear Reactor Safety (CFD4NRS-3), 14.-16.09.2010, Bethesda, Maryland, United States of America
  • Contribution to proceedings
    Benchmarking of CFD Codes for Application to Nuclear Reactor Safety (CFD4NRS-3), 14.-16.09.2010, Bethesda, Maryland, United States of America
    Proceedings of CFD4NRS-3

Publ.-Id: 14289

Extention of the AIAD model - The free surface drag model

Höhne, T.

Problem: Different models necessary for dispersed particles and separated continuous phases (interfacial drag etc.)

Keywords: AIAD; CFX; CFD; horizontal flow; surface drag

  • Lecture (Conference)
    CFD-network meeting, 21.-22.07.2010, Jülich, Deutschland

Publ.-Id: 14288

Swift Heavy Ion Beam Shaping of Au and Ge Nanoparticles in SiO2

Schmidt, B.; Heinig, K.-H.; Mücklich, A.; Akhmadaliev, C.; Ridgway, M.; Kluth, P.

Lasers can process materials at spatiotemporal µm and ps scales. Here it will be shown that swift heavy ions can be used for materials processing at even shorter length and time scales. Swift-heavy-ion-induced deformation of spherical Au and Ge nanoclusters (NCs) embedded in SiO2 was studied experimentally and theoretically. Ge NC shaping is size dependent under irradiation with 38 MeV iodine ions and with 89 and 185 MeV gold ions. Large NCs don’t deform, smaller ones become discus-shaped, and very small ones show Ge loss at their equator. Small Au NCs deform into rods and wires, and, rather exotic, at critical NC size Au wires are squeezed out of the poles of the Au spheres.
Modeling and atomistic computer simulations identified the main driving forces: (i) The materials dependent electronic stopping power, (ii) the volume change upon melting, (iii) the asymmetric hydrodynamic flow due to stress field hysteresis, as well as (iv) far-from-equilibrium steady-state solubilities and strongly anisotropic diffusion. The latter one leads to “Ostwald ripening” of deformed NCs. The NC size distributions, shapes and anisotropies can be tailored by appropriate tuning of the driving forces. Our model describes the ion-induced shape evolution of different elements for different ion species, energies and fluences even quantitatively, where only one fit parameter describes all experiments. It is based on classical thermodynamics and hydrodynamics only. An even stronger proof is the shape change of nanospheres of critical size under swift heavy ion irradiation. For such particles, exclusively central ion impacts induce shaping, where Au is squeezed out of the poles. Using an unimodal size distributions and changing the ion impact angle during irradiation, tailoring of very exotic nanoparticle shapes become feasible.

Keywords: swift heavy ion irradiation; nanoparticles; silicon dioxide

  • Invited lecture (Conferences)
    21st International Conference on the Application of Accelerators in Research and Industry (CAARI 2010), 08.-13.08.2010, Dallas/Fortworth, Texas, USA

Publ.-Id: 14287

Ion Beam synthesis of Nano-crystals for Electronics and Photonics

Schmidt, B.; Heinig, K.-H.

One of the main goals of materials research using ion beams is to synthesize nanostructures, for example semiconducting or metallic nanocrystals (NCs) in insulating films. A great effort is currently devoted to NC fabrication for micro- and optoelectronics by ion beam synthesis (IBS), because this method is compatible with modern CMOS technology. The present contribution addresses the Si NC formation by conventional ion implantation into the gate oxide and by a non-conventional IBS approach of ion beam mixing of SiO2/Si interfaces in thin gate oxides, with special emphasis on well-controlled size and position tailoring. The two approaches will be compared and related technological challenges discussed. Compared to conventional Si NC synthesis by Si+ ion implantation into the gate oxide, we take advantage of the self-alignment ion beam mixing process, i.e., the Si NCs are formed in SiO2 at a well-controlled small distance of ca. 2 nm from the Si/SiO2 interfaces. The technical applications in non-volatile nanocrystal memories and in light emitting field-effect transistors (LEFET) are demonstrated.
The Si NC MOSFETs were fabricated as nMOSFET devices in a standard 0.6 µm CMOS process line. Their electrical characteristics have been evaluated in terms of write/erase voltage, duration of the programming time, endurance and retention for different ion irradiation and annealing conditions. For the investigation of the light-emitting characteristics of the same nMOSFETs, an AC voltage was applied to the gate in order to inject charges of both polarities into the NCs. AC voltage and frequency dependent electroluminescence spectra in the wavelength region of 400-1000 nm were recorded for different annealing conditions. The performance of the Si NC memories and LEFETs with further possibilities of optimization of efficient charge storage and light emission properties will be discussed.

Keywords: Si nanocrystal; ion beam synthesis. nanocrystal memory; electroluminescence

  • Invited lecture (Conferences)
    21st International Conference on the APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY (CAARI 2010), 08.-13.08.2010, Dallas/Fortworth, Texas, USA
  • Contribution to proceedings
    21st International Conference APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY (CAARI 2010), 08.-13.08.2010, Fort Worth, Texas, USA
    AIP Conference Proceedings Volume 1336 APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twenty-First International Conference Fort Worth, Texas, (USA), 8–13 August 2010 Editor(s): Floyd D. McDaniel, Barney L. Doyle: American Institute of Physics, 978-0-7354-0891-3, 233-238

Publ.-Id: 14286

Memory and electroluminescence properties of silicon nanocrystal MOS-FETs

Schmidt, B.; Heinig, K.-H.; Beyer, V.

One of the main goals of materials research using ion beams is to synthesize nanostructures, for example semiconducting or metallic nanocrystals (NCs) in insulating films. A great effort is currently devoted to NC fabrication for micro- and optoelectronics by ion beam synthesis (IBS), because this method is compatible with modern CMOS technology. The present contribution addresses the Si NC formation by a non-conventional IBS approach of ion beam mixing of SiO2/Si interfaces in thin gate oxides [1], with special emphasis on well-controlled size and position tailoring as well as their application in non-volatile nanocrystal memories and in light emitting field-effect transistors (LEFET). Compared to conventional Si NC synthesis by Si+ ion implantation into the gate oxide [2], we take advantage of this self-alignment process, i.e., the Si NCs are formed in SiO2 at a well-controlled small distance of ca. 2 nm from the Si/SiO2 interfaces.
In order to implement our novel technique in CMOS technology, ion irradiation through a MOS-FET stack of 50nm poly-Si/15nm SiO2/Si substrate was performed with 50 keV Si+ ions. The ion beam mixing of the upper poly-Si/SiO2 interface and the lower SiO2/(001)Si interface leads to Si excess in the gate oxide. Subsequent rapid thermal annealing reforms sharp interfaces and separates the excess Si from SiO2. Adjacent to the recovered interfaces, 3-4 nm thick SiO2 zones denuded completely of excess Si have been found, whereas the more distant tails of excess Si form well-aligned narrow layers of NCs with 2-3 nm diameter. The self-alignment of the NC layers with the SiO2/Si interfaces allows to control shorter (direct) tunneling distances between the NCs and the Si electrodes with the potential of faster devices operating at reduced voltages.
The Si NC MOSFETs with an active gate area of 20x20 µm2 were fabricated as nMOSFET devices in a standard 0.6 µm CMOS process line. Their electrical characteristics have been evaluated in terms of write/erase voltage, duration of the programming time, endurance and retention for different ion irradiation and annealing conditions. For the investigation of the light-emitting characteristics of the same nMOSFETs, an AC voltage was applied to the gate in order to inject charges of both polarities into the NCs. AC voltage and frequency dependent electroluminescence spectra in the wavelength region of 400-1000 nm were recorded for different annealing conditions. The performance of the Si NC memories and LEFETs with further possibilities of optimization of efficient charge storage and light emission properties will be discussed.

Keywords: Silicon nanocrystals; ion beam mixing; charge storage; electroluminesence

  • Poster
    18th International Conference on Ion implantation Technology (IIT 2010), 06.-11.06.2010, Kyoto, Japan

Publ.-Id: 14285

First Synthesis of Uranyl Aluminate Nanoparticles

Chave, T.; Nikitenko, S. I.; Scheinost, A. C.; Berthon, C.; Arab-Chapelet, B.; Moisy, P.

This paper describes, for the first time, a simple method for the synthesis of uranyl aluminate (URAL) nanoparticles. URAL was prepared by U(VI) hydrolytic precipitation with ammonia at pH = 11 in the presence of mesoporous alumina MSU-X under 20 kHz of sonication followed by annealing of the obtained solids at 800 C. TEM, XAFS, powder XRD, and 27Al MAS NMR studies revealed that the speciation of uranium in this system strongly depends on uranium concentration. The sample with 5 wt % of uranium yields air-stable nanoparticles (∼5 nm) of URAL. Presumably, UO2 2þ cations in this compound are coordinated with bidentate AlO2 - groups. The increase of uranium concentration to 30 wt % causes mostly formation of U3O8 fine particles (∼50 nm) and small amounts of URAL.

Keywords: uranyl; nanoparticles; XAFS; NMR

Publ.-Id: 14284

SWOP—Charge Carrier Depth Profiling of Boron Doped Single Crystalline Silicon

Philipp, P.; Schmidt, B.; Zier, M.

According to the subsequently continued shrinking of semiconductor device dimensions the fabrication of ultra shallow pn-junctions is the essential requirement for modern CMOS technology. Therefore the importance of measurement techniques for dopant depth profiles is rising and the demands in resolution and accuracy are increasing. The established methods like SIMS and spreading resistance profiling become less suitable for these applications because of their disadvantages at measurements near the silicon surface.
Stepwise Oxidation Profiling was applied to boron doped p+ layers as a new measurement technique for ultra shallow doped layers. Single crystalline n-type silicon (1…10 Ohmcm) with <100>- orientation was used as base material. One sample type was implanted with boron at an ion energy of 1 keV and an implantation fluence of 3x1014 cm-2. After implantation the samples were annealed by rapid thermal annealing (RTA) at 1000 °C and 10 s annealing time. On the other sample type boron was deposited by e-beam evaporation. Following, a 400 keV Si pre-implant was done to avoid transient enhanced diffusion and then a flash lamp diffusion (FLD) was carried out with 600 °C preheating and a 1300 °C Xe flash of about 3 ms duration. The two sample types were fabricated as planar van der Pauw (VDP) test structures.
Compared to the Continuous Anodic Oxidation Technique (CAOT) developed by S. Prussin the measurement procedure of SWOP is similar and the dopant depth profiles are measured by altering between an electrical VDP measurement of the sheet resistance and the electrochemical growth of thin anodic SiO2 layers (in steps of 1 nm and below). The SWOP measurement can be done in one apparatus without removing the sample for anodic oxidation or electrical VDP measurement. The values of the active boron concentration are calculated using the hole mobility values based on the Thurber expression.

Keywords: anodic oxidation; boron implantation; ultra shallow junction; depth profiling; van-der-Pauw

  • Poster
    The 18th International Conference on Ion Implantation Technology (IIT 2010), 06.-11.06.2010, Kyoto, Japan
  • AIP Conference Proceedings 1321(2010), 216-219
    DOI: 10.1063/1.3548353

Publ.-Id: 14283

Numerical study of bubbly flows using direct quadrature method of moments

Cheung, S. C. P.; Yeoh, G. H.; Tu, J. Y.; Krepper, E.; Lucas, D.

To model the macroscopic bubble interactions (e.g. coalescence and breakage), the two-fluid model in conjunction with the population balance equation (PBE) approach has been considered as a practical and accurate formulation of handling bubbly flow systems. Recently, the MUltiple SIze Group (MUSIG) model appears to be one of the most direct solution methods which solves the PBE with discrete class approach and fuses seamlessly with the computational fluid dynamics (CFD) framework. Nonetheless, for complex bubbly flow structures with wide range of bubble size, large number of classes must be used to attain sufficient resolution for the bubble size distribution (BSD). This poses severe limitations on both computational time and resources. This paper focuses on introducing an alternative direct quadrature method of moments (DQMOM) (Marchisio and Fox, 2005) where the BSD is tracked through its moments by integrating out the internal coordinate. The main advantage of DQMOM is that the number of scalars to be solved is very small (i.e. usually 4-6). To assess the performance of DQMOM in measure-up with the MUSIG model, predictions of both models are validated against two experimental data by Hibiki et al. (2001) and Lucas et al. (2005). In general, the model predictions compared very well against the measured data. Associated
numerical issues and drawbacks for the DQMOM model are also discussed.

Keywords: Population Balance; Method of Moment; Bubbly Flow

  • Contribution to proceedings
    7th International Conference on Multiphase Flow, ICMF, 30.05.-04.06.2010, Tampa, USA

Publ.-Id: 14281

Steam bubble condensation in polydispersed flow - Experiments and CFD simulations

Krepper, E.; Schmidtke, M.; Lucas, D.; Beyer, M.; Lifante, C.

Many activities were done in the last years to improve the modeling of adiabatic bubbly flows in the frame of CFD. In this case models for momentum transfer between the phases are most important. Usually they are expressed as so-called bubble forces. Experimental investigation as well as Direct Numerical Simulations (DNS) showed, that these bubble forces strongly depend on the bubble size. In addition to the well known drag force also virtual mass, lift, turbulent dispersion and wall forces have to be considered. The lift force even changes its sign in dependence of the bubble size (Tomiyama, 1989). In consequence large bubbles are pushed to the opposite direction than small bubbles if a gradient of the liquid velocity perpendicular to the relative bubble velocity exists (Lucas et al. 2001, Prasser et al. 2007). To simulate the separation of small and large bubbles more than one momentum equation is required (Krepper et al. 2005). For this reason recently so-called Inhomogeneous-MUSIG (MUlti SIze Group) model was implemented into the ANSYS-CFX code (Frank et al. 2008, Krepper et al. 2008). It allows the consideration of a number of bubble classes independently for the mass balance (for a proper modeling of bubble coalescence and breakup a large number of bubble groups is required) and for the momentum balance (only very few classes can be considered due to the high computational effort, criteria for the classification can be derived from the dependency of the bubble forces on the bubble size, e.g. the change of the sign of the lift force). In the presently implemented version of the Inhomogeneous MUSIG model only transfers between the bubble classes due to bubble coalescence and breakup can be modeled. In case of flows with phase transfer additional transfers between the single classes and the liquid and transfers between bubble classes caused by growth or shrinking of bubbles have to be considered. The equations for the extension of the MUSIG models are derived in Section 2. of this paper (see also Lucas et al. 2009). They were recently implemented into the CFX code and are presently verified (see Section 4).

Keywords: CFD-simulations; population balance models; heat and mass transfer; experiments

  • Poster
    7th International Conference on Multiphase Flow, ICMF 2010, 30.05.-04.06.2010, Tampa, USA

Publ.-Id: 14280

A new CFD-grade database on condensation in poly-dispersed bubbly flows

Lucas, D.; Beyer, M.; Szalinski, L.

Experiments were done at the TOPFLOW facility of the Forschungszentrum Dresden-Rossendorf to establish a CFD-grade database on the condensation of steam bubbles injected into sub-cooled upwards vertical pipe flow. Bubble size distributions are important, since the condensation rate is proportional to the interfacial area density. To develop and validate closure models for CFD codes experimental data with high resolution in space and time are required. The steam was injected via orifices in the pipe wall located at different distances from measuring plane. 1 mm and 4 mm injection orifices are used to vary the initial bubble size distribution. The variation of the distance between the location of the gas injection and the measuring plane allows investigating the evolution of the flow along the pipe. Pressure, steam and water flow rates and the sub-cooling were also varied. Measurements are done using wire-mesh sensors and thermocouples. Data on averaged void fraction, radial gas volume fraction profiles, profiles of the gas velocity and bubble size distributions in dependency of the L/D ratio are presented.

Keywords: bubbly flow; condensation; experiment; phase transfer

  • Lecture (Conference)
    Workshop on Multiphase Flows - Simulation, Experiment and Application, 22.-24.06.2010, Dresden, Deutschland

Publ.-Id: 14279

Landau levels and magnetopolaron effect in dilute GaAs:N

Krstajic, P. M.; Peeters, F. M.; Helm, M.

The magnetic-field dependence of the energy spectrum of GaAs doped with nitrogen impurities is investigated. Our theoretical model is based on the phenomenological band anticrossing model (BAC) which we extended in order to include the magnetic field and electron-phonon interaction. Due to the highly localized nature of the nitrogen state, we find that the energy levels are very different from those of pure GaAs. The polaron correction results in a lower cyclotron resonance energy as compared to pure GaAs. The magneto-absorption spectrum exhibits series of asymmetric peaks close to the cyclotron energy.

Keywords: semiconductors; impurities; nitrides; cyclotron resonance

Publ.-Id: 14278

Aqueous coordination chemistry and photochemistry of uranyl(VI) oxalate revisited: a density functional theory study

Tsushima, S.; Brendler, V.; Fahmy, K.

Using density functional theory (DFT) calculations, we revisited a classical problem of uranyl(VI) oxalate photochemical decomposition. Photoreactivities of uranyl(VI) oxalate complexes are found to correlate largely with ligand-structural arrangements. Importantly, the intramolecular photochemical reaction is inhibited when oxalate is bound to uranium exclusively in chelate binding mode. Previously proposed mechanisms involving a UO2(C2O4)2 2- (1:2) complex as the main photoreactive species are thus unlikely to apply, because the two oxalic acids are bound to uranium in a chelating binding mode. Our DFT results suggest that the relevant photoreactive species are UO2(C2O4)3 4- (1:3) and (UO2)2(C2O4)5 6- (2:5) complexes binding uranium in an unidentate fashion. These species go through decarboxylation upon excitation to the triplet state, which ensues the release of CO2 and reduction of U(VI) to U(V). The calculations also suggest an alternative intermolecular pathway at low pH via an electron transfer between the excited state *UO2 2+ and hydrogen oxalate (HC2O4 -) which eventually leads to the production of CO and OH- with no net reduction of U(VI). The calculated results are consistent with previous experimental findings that CO is only detected at low pH while U(IV) is detected only at high pH.

Publ.-Id: 14277

Synthesis and biological evaluation of a radioiodinated spiropiperidine ligand as a potential σ1 receptor imaging agent

Chen, R.-Q.; Li, Y.; Zhang, Q.-Y.; Jia, H.-M.; Deuther-Conrad, W.; Schepmann, D.; Steinbach, J.; Brust, P.; Wuensch, B.; Liu, B.-L.

We report the synthesis and evaluation of 1'-(4-[125I]iodobenzyl)-3H-spiro[isobenzofuran-1,4'-piperidine] ([125I]Spiro-I) as a potential SPECT tracer for imaging of σ1 receptors. [125I]Spiro-I was prepared in 55–65% isolated radiochemical yield, with radiochemical purity of >99%, via iododestannylation of the corresponding tributyltin precursor. In receptor binding studies, Spiro-I displayed low nanomolar affinity for σ1 receptors (σ1: Ki = 2.75 ± 0.12 nM; σ2: Ki = 340 nM) and high subtype selectivity (σ2/σ1 = 124). Biodistribution in mice demonstrated relatively high concentration of radioactivity in organs known to contain σ1 receptors, including the lung, kidney, heart, spleen, and brain. Administration of haloperidol 5 min prior to injection of [125I]Spiro-I significantly reduced the concentration of radioactivity in the above-mentioned organs. These findings suggest that the binding of [125I]Spiro-I to σ1 receptors in vivo is specific.

Keywords: σ1 receptor; spiropiperidine; Iodine-125

  • Journal of Labelled Compounds and Radiopharmaceuticals 53(2010), 569-574
    DOI: 10.1002/jlcr.1777

Publ.-Id: 14276

Design von Radiotracern für das Neuroimaging neuropsychiatrischer und neurodegenativer Erkrankungen

Brust, P.

Es ist kein Abstract vorhanden

  • Lecture (others)
    Kolloquium an der Universität Bonn, 19.07.2010, Bonn, Germany

Publ.-Id: 14275

Positron Emission Tomography (PET): Basic Principles of Radiotracer Design and Evaluation

Brust, P.

Es ist kein Abstract vorhanden.

  • Lecture (others)
    Kolloquium MPI Leipzig, 19.04.2010, Leipzig, Germany

Publ.-Id: 14274

Phenyl-HPLC-Säulen als hochselektive RP-Phasen zur Trennung aromatischer Verbindungen

Wenzel, B.

Es ist kein Abstract vorhanden.

  • Lecture (others)
    3. HPLC-Workshop "Möglichkeiten und Grenzen der HPLC in den Lebenswissenschaften", 29.01.2010, Rossendorf, Germany

Publ.-Id: 14273

Design, Synthesis and in Vitro Biological Evaluation of Reference Compounds of 123I and 99Tcm Labeled Indole Radiotracers for σ2 Receptor Imaging

in Chinese

Li, Y.; Jia, H.-M.; Deuther-Conrad, W.; Brust, P.; Steinbach, J.; Liu, B.-L.

Novel indole radiotracers for 123I and 99Tcm labeling were designed. The corresponding reference compounds (Indole-I and Indole-MAMA-Re) and the precursor for 99Tcm labelling were synthesized. The compounds were characterized by IR, NMR, and MS analyses. Competition binding assays in vitro show that the Ki values of Indole-I for σ1 and σ2 receptors are (0.574 ± 0.355) μmol/L and (0.162 ± 0.030 2) μmol/L, respectively. The Ki values of Indole-MAMA-Re for σ1 and σ2 receptors are (3.75 ± 2.22) μmol/L and (7.83 ± 4.87) μmol/L, respectively. Furthermore, 99Tcm-Indole-MAMA was successfully prepared. The radio-chemical purity (RCP) of 99Tcm-Indole-MAMA after purification was higher than 90% by HPLC analysis. The compounds reported in this paper may be used as lead compounds for further structural modification to develop indole SPECT tumor imaging agents.

Keywords: Indole; σ receptors; 99Tcm; 123I

  • Open Access Logo Journal of Nuclear and Radiochemistry 32(2010)2, 132-138

Publ.-Id: 14272

Sorption of selenium(VI) onto anatase: macroscopic and microscopic characterization

Jordan, N.; Foerstendorf, H.; Weiß, S.; Heim, K.; Schild, D.; Brendler, V.

The sorption of selenium(VI) onto pure anatase, a polymorph of titanium dioxide, was investigated. At the macroscopic level, batch experiments and electrophoretic mobility measurements have been performed. Selenium(VI) retention was found to be pH-dependent, i.e. sorption of selenium(VI) decreases with increasing pH (pH range 3.5-11). Selenium(VI) sorption dependence on the ionic strength was also evidenced, i.e. sorption increases while the ionic strength decreases. Electrophoretic mobility measurements showed that selenium(VI) sorption had no effect on the isoelectric point of anatase. At the microscopic level, XPS (X-ray Photoelectron Spectroscopy) measurements evidenced the absence of reduction of selenium(VI) during the sorption process. Furthermore, the nature of the sorbed surface species at the anatase/liquid interface has been elucidated using Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) spectroscopy. The spectroscopic results strongly suggest the formation of outer-sphere complexes on the whole pH range, which is in agreement with batch sorption experiments and electrophoretic mobility findings.

Keywords: selenium(VI); anatase; sorption; electrophoresis measurement; XPS; ATR FT-IR

Publ.-Id: 14271

In Vivo Binding of [18F]NS10743 on α7 Nicotinic Acetylcholine Receptors (α7-nAChR) in Pig Brain

Brust, P.; Deuther-Conrad, W.; Becker, G.; Fischer, S.; Hiller, A.; Østergaard Nielsen, E.; Brunicardi Timmermann, D.; Patt, M.; Sabri, O.; Peters, D.; Steinbach, J.

Aim: Alterations of α7-nAChR have been observed in schizophrenia, brain trauma and neurodegenerative diseases. For PET imaging of α7 nAChR [18F]NS10743 has been successfully developed and evaluated in mice by tissue distribution and specificity studies. Here we report on baseline and blocking PET studies with [18F]NS10743 in pig brain.

Materials and Methods: Dynamic PET scanning (2h) was performed in anesthetized female piglets (13-15 kg), intravenously injected with ~ 330 MBq [18F]NS10743 (specific activity >150 GBq/µmol). Three animals additionally received 5 mg/kg of the α7 nAChR antagonist NS6740. Plasma samples were taken and metabolite-corrected input functions were estimated. Individual regions of interest were defined using an MRI-based template of pig brain. SUV, distribution volume (VT= K1/k2) and binding potential (BPND = (VT region - VT reference)/VT reference) were estimated.

Results: [18F]NS10743 readily passed the blood-brain barrier and the uptake of radioactivity peaked with SUV = 2.23±0.71 at 8-10 min in the baseline scan while in NS6740-blocking studies the radioactivity levels peaked significantly earlier (SUV = 3.02 ± 1.28 at 6 min) and decreased faster. At the end of study (between 90 and 120 min pi) SUV was significantly decreased by NS6740 in all investigated brain regions except olfactory bulb, which was chosen as reference region for calculation of BPND. At baseline, a mean VT value of 6.07±1.54 was estimated with the highest radiotracer accumulation in temporal, parietal, and occipital lobe, thalamus, striatum, and middle cortex (VT = 7.27±1.95 – 7.10±1.58). Intermediate binding was observed in hippocampus, colliculi, midbrain, frontal lobe, and ventral cortex (VT = 6.76±1.71 – 6.09±1.05), and lowest values were assessed in the cerebellum, pons, and olfactory bulb (VT = 5.71±1.18 – 4.11±0.96). Baseline BPND values for high (temporal lobe), median (hippocampus) and low specific binding (cerebellum) were 0.76±0.07, 0.54±0.08, and 0.39±0.08, respectively. NS6740 significantly reduced the binding potential BPND in regions with high [18F]NS10743 binding (temporal lobe: -29 %, p = 0.01; midbrain: -35 %, p = 0.02) while the decrease in regions with low binding was not significant (cerebellum: -16 %, p = 0.2).

Conclusion: The data provide clear evidence of in vivo binding of [18F]NS10743 at α7 nAChR. However, with regard to the low density of α7 nAChR expression in the brain further modifications of the NS10743 core structure are needed to increase the target affinity of the tracer compound.

Keywords: α7-nAChR; neurodegenerative diseases; [18F]NS10743; PET; blood-brain barrier

  • Lecture (Conference)
    23rd Annual Congress of the European Association of Nuclear Medicine (EANM), 09.-13.10.2010, Wien, Österreich
  • Abstract in refereed journal
    European Journal of Nuclear Medicine and Molecular Imaging 37(2010)2, 198-311

Publ.-Id: 14270

Interaction of ephrinB2 with its receptors EphB4 and EphB6 – potential impact on tumor-associated inflammation in human melanoma

Neuber, C.; Mosch, B.; Mamat, C.; Pietzsch, J.

Tumor-associated inflammatory cells (TAIC) are a major component of the tumor microenvironment and can contribute to both tumor progression and metastasis for instance by direct cell-cell interaction via membrane-bound proteins. Tumor cells show varying expression of Eph receptors and their ephrin ligands, which both are receptor tyrosine kinases. Eph/ephrins are hypothesized to be possible mediators of tumor-associated inflammation. The aim of our study was to analyze the distribution of ephrinB2 and its receptors EphB4 and EphB6 in inflammatory and melanoma cells and to clarify proinflammatory effects due to Eph/ephrin-mediated cell-cell contact.

Material and Methods
HL-60 promyelocytes and THP-1 monocytes, differentiated into granulocytes and macrophages, were used as a model for TAIC. Undifferentiated and differentiated cells were co-cultivated with Mel-Juso and A2058 melanoma cells. EphrinB2, EphB4 and EphB6 mRNA expression and protein synthesis was investigated using qRT-PCR and flow cytometry. Secretion of the proinflammatory cytokines IL-6 and TNF-α was analyzed using ELISA.

No alteration in gene expression of ephrinB2, EphB4 and EphB6 could be observed during differentiation of HL-60 and THP-1 cells. In contrast, protein synthesis of ephrinB2, EphB4 and EphB6 was two- to threefold higher in HL-60 granulocytes compared to HL-60 promyelocytes and HL-60 macrophages. THP-1 macrophages showed a slightly increased protein synthesis of EphB4 and EphB6 compared to THP-1 monocytes whereas ephrinB2 protein content remained constant. Co-culture of both THP-1 monocytes and macrophages with Mel-Juso cells caused a substantial increment in secretion of proinflammatory cytokines. Co-culture of both HL-60 granulocytes and THP-1 monocytes with A2058 cells did not affect cytokine secretion. By contrast, co-culture of HL-60 macrophages with A2058 cells resulted in increased IL-6 secretion whereas co-culture of THP-1 macrophages with A2058 cells resulted in increased IL-6 secretion but decreased TNF-α release.

To our knowledge, mRNA expression and protein synthesis of ephrinB2, EphB4 and EphB6 was investigated for the first time in undifferentiated and differentiated HL-60 and THP-1 cells and, moreover, in Mel-Juso and A2058 melanoma cells. Co-culture of TAIC with melanoma cells resulted in proinflammatory effects. To differentiate the role of various Eph receptors and ephrin ligands in mediation of these effects after direct cell-cell contact of TAIC and melanoma cells selective inhibitors for Eph are applied in ongoing studies.

Keywords: Cell and Tumour Biology

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 120-121

Publ.-Id: 14269

Setting-up chemistry labs for accelerator mass spectrometry

Merchel, S.; Andermann, C.; Arnold, M.; Aumaître, G.; Bourlès, D.; Braucher, R.; Fuchs, M.; Gloaguen, R.; Klemm, K.; Martschini, M.; Schildgen, T. F.; Steier, P.; Wallner, A.; Yildirim, C.

Introduction: The AMS business is booming: Many low-energy (< 1 MV) facilities, which are fully dedicated for 14C-analysis, are under construction or in funding status. Additionally, medium-energy accelerators such as the British 5 MV-NEC machine at “SUERC” Glas-gow, the French 5 MV-HVEE-machine “ASTER” at Aix-en-Provence [1] and the two German 6 MV-HVEE-machines “DREAMS” at Dresden [2] and “Cologne AMS” have been recently installed or are still in testing mode in Central Europe. Of course, these bigger machines need not only experienced physicists and technicians to get them running. It also seems to be advisable to have some experienced scientists around, who knows how to prepare AMS targets for 10Be, 26Al, 36Cl, 41Ca, and 129I measurements.
Quality assurance: In contrast to the 14C-community, where e.g. round-robin exercises are routine business, the idea of quality assurance and traceable standards has only been brought up lately for the other cosmogenic radionuclides. Thus, world-wide accepted standards issued by metrology institutes are rare: NIST is selling two kinds of 129I/127I-standards, and the Institute for Reference Materials and Measurements (IRMM) provides one set of 41Ca/40Ca solutions having eight different ratios [3]. Unfortunately, the most commonly used 10Be/9Be standard provided by NIST has been recently sold-out and will not be reissued. Other primary standard-type materials (26Al,36Cl), which are not commercially available, have been prepared by diluting certified activities and subsequent analysis within round-robin exercises [4,5]. After production of big quantities of in-house secondary standards for all nuclides, cross-calibration vs. primary standard-type materials has to be performed in-house and elsewhere [1].
Finally, as commercial 9Be contains intrinsic 10Be up to a level of 4x10-14 [6] sophisticated production of in-house carriers, used as machine blanks and for processing samples, such as Be2SiO4 originating from a deep mine in Brazil (Fig. 1), is needed.

Fig. 1: Origins of terrestrial samples yet processed at FZD chemistry labs: Antarctica, Brazil (carrier), Italy, Macedonia, Nepal, Slovenia, Tajikistan and Turkey.

Only after production and measurement of all these materials, the AMS facility is ready for real sample measurements.
Real samples: As it is always not advisable to change two important “things” at the same time, here machine and chemistry, first and foremost, a close cooperation with the AMS teams of “ASTER” and “VERA” (Vienna Environmental Research Accelerator) needed to check the quality of the new chemical sample preparation at FZD.
A “good” AMS sample is defined by two main features: high stable isotope current and low isobar concentration. A high chemical yield and low concentrations of other elements – originating either from the matrix or chemical products used – are less important. A corresponding low processing blank, i.e. with a very low radionuclide/stable nuclide ratio, is, however, essential for projects working near the detection limit. For high sample throughput and reasonable costs a fast, easy and cheap chemical separation is also favorable. Though, as it is the case for most destructive analytical methods, AMS sample preparation takes much longer, i.e. 24 h (ice, water) to 2-4 weeks (sediments, rocks), and is more expensive than the actual AMS measurement [7], which takes about 10-60 min.
For 10Be-AMS-targets isolated from quartz-rich river sediments (Himalaya, erosion rate study) and a calcite-rich boulder from a Slovenian rockfall area, 9Be-currents had been in the range of “ASTER” standards and machine blanks. The processing blanks produced at FZD were in the same order as the machine blank (1x10-15), thus, more than one order of magnitude lower than the lowest sample ratio.
Ten 36Cl-AMS-targets prepared from river terraces (Anatolian Plateau, Turkey, uplift rate study) will be investigated in June at “VERA”, hopefully validating the high quality of 36Cl-AMS targets.
Conclusion: We successfully started AMS chemistry in 2009 at FZD and are now open to more collaborations with research institutes and universities.
Acknowledgments: Thanks to E. Strub (26Al-activity), M. Bichler (neutron-irradiation of 9Be), C. Varajão (Be2SiO4 crystals), AWI & U Heidelberg (Antarctic & Italian ice/snow samples), DAAD & DFG (cash) & L. Benedetti, R.C. Finkel, I. Mrak, W. Möller, HVEE, FZD-AMS-team (great cooperation).
References: [1] Arnold M. et al. NIMB 268 (2010) 1954. [2] Akhmadaliev Sh. et al. this meeting. [3] Hennessy C. et al. NIMB 229 (2005) 281. [4] Merchel S., Bremser W. NIMB 223–224 (2004) 393. [5] Merchel S. et al. GCA 73 (2009) A871. [6] Merchel S. et al. NIMB 266 (2008) 4921. [7] Merchel S., Herpers U. RCA 84 (1999) 215.

Keywords: AMS; cosmogenic radionuclides; TCN

  • Poster
    6. Workshop RCA (Radiochemische Analytik bei Betrieb und Rückbau kerntechnischer Anlagen, der Deklaration von Abfällen und im Strahlenschutz) & 23. SAAGAS (Seminar Aktivierungsanalyse und Gammaspektroskopie), 06.-08.09.2010, Dresden-Rossendorf, Deutschland

Publ.-Id: 14268

Pyramidal pits created by single highly charged ions in BaF2 single crystals

El-Said, A. S.; Heller, R.; Aumayr, F.; Facsko, S.

In various insulators, the impact of individual slow highly charged ions (eV-keV) creates surface nanostructures, whose size depends on the deposited potential energy. Here we report on the damage created on a cleaved BaF2 (111) surface by irradiation with 4.5×q keV highly charged xenon ions from a room-temperature electron-beam ion trap. Up to charge states q=36, no surface topographic changes on the BaF2 surface are observed by scanning force microscopy. The hidden stored damage, however, can be made visible using the technique of selective chemical etching. Each individual ion impact develops into a pyramidal etch pits, as can be concluded from a comparison of the areal density of observed etch pits with the applied ion fluence (typically 108 ions/cm2). The dimensional analysis of the measured pits reveals the significance of the deposited potential energy in the creation of lattice distortions/defects in BaF2.

Keywords: Slow Highly Charged Ions; BaF2

  • Physical Review B 82(2010), 033403

Publ.-Id: 14267

Amorphous solid foam structures on germanium by heavy ion irradiation

Bischoff, L.; Pilz, W.; Schmidt, B.

Ge (100) surfaces were irradiated by heavy Bi+ and Bi++ ions extracted from a Bi-liquid metal ion source in a mass separated focused ion beam system with energy of 30 and 60 keV, respectively. Networks of different nanoporous (or sponge like) structures were found depending on ion energy, fluence, angle of incidence and irradiation temperature. The porous and amorphous surface structures are explained in terms of high concentration vacancies close to the surface. The surface modification was investigated using SEM and AFM imaging and FIB for cross section preparation.

Keywords: Germanium; porous network: Bi-LMIS; FIB; fluence; angle of incidence

Publ.-Id: 14266

Some recent developments in the field of measuring techniques and instrumentation for liquid metal flows

Eckert, S.; Buchenau, D.; Gerbeth, G.; Stefani, F.; Weiss, F.-P.

The paper reports on new developments in the field of measuring techniques for liquid metal flows. We present three variants of a fully contactless electromagnetic flow meter for determining the integral flow rate in a channel flow. Respective test measurements have been performed at a liquid sodium and lead loop, respectively. One of the sensors is of particular interest since its operation does not depend on the electrical conductivity of the liquid metal, hence it is independent on the melt temperature. The Ultrasound Doppler Velocimetry (UDV) determines the velocity profile along the ultrasonic beam, and has the capability to work even through the channel wall. We present measurements obtained in a liquid sodium channel flow. Further, we report on the development of a contactless magnetic tomography of the global flow pattern in liquid metals. This method provides the full three-dimensional mean velocity distribution in a given liquid metal volume.

Keywords: liquid metal; flow measurements; electromagnetic flow meter; Ultrasound Doppler Velocimetry (UDV); Contactless Inductive Flow Tomography (CIFT)

  • Journal of Nuclear Science and Technology 48(2011), 490-498

Publ.-Id: 14265

Micro-pixe studies for archaeological gold identification – the case of transylvanian gold and of dacian gold staters (kosons)

Constantinescu, B.; Bugoi, R.; Munnik, F.; Pichon, L.

Trace elements are more significant for provenance of archaeological metallic artifacts than the main components. For gold, the most promising elements are Platinum Group Elements (PGE), Sb, Hg, Pb, and, especially for alluvial (panned) gold, Sn and Pt. Several small fragments of ancient gold objects from some Bronze Age objects and Greek and Dacian (KOSON – type) coins were analyzed. To check if the Transylvanian gold was used, some fragments of nuggets from Transylvanian mines and alluvial gold were also studied. The measurements were performed by using the AGLAE accelerator of the Centre de Recherche et de Restauration des Musees de France. The samples were bombarded with a 3 MeV proton micro-beam (roughly 50 µm diameter). The employed beam current was around 10 nA. We also used the micro-PIXE technique at the nuclear microprobe facility of the Forschungszentrum Dresden-Rossendorf. A 3 MeV proton beam was employed; the beam diameter was roughly 150 μm. The total accumulated charge was around 3 μC.
As conclusions of the performed experiments, one can quote the following findings:

  • Sn was detected as a trace-element in all the KOSON without monogram coins; in one of them we could acquire spectra in several spots; in one of them a very high concentration of Sn was found but not in the surrounding areas, most probably a cassiterite grain;
  • No trace-elements were detected in the KOSON with monogram coins and the pseudo-Lysimach staters issued by the Greek colonies at the Black Sea coast; it was concluded that highly refined gold was used to manufacture these coins; the above findings led us to the idea that the two kind of KOSON coins were manufactured by using different gold sources
  • Sn was also found as trace element in a fragment taken from a Early Bronze Age bracelet from Tauteu, hoard (Transylvania) and in a fragment from the Vulchitrun-like disk (Late Bronze Age) found in Calarasi, Oltenia; we could conclude that alluvial gold was most likely used to manufacture these Bronze Age objects;
  • Te was found in several geological samples (e.g. in the ones from Rosia Montana), a fact that is of particular importance, since this element appears to be a characteristic of the Transylvanian gold minerals, but it is easily evaporated during the native gold melting, so, its presence in gold objects is very improbable;
  • A very interesting finding was the presence of Pd traces in one of the alluvial gold samples, the one coming from Mures river.
  • Poster
    ICNMTA 2010 - 12th International Conference on Nuclear Microprobe Technology and Applications, 26.-30.07.2010, Leipzig, Germany

Publ.-Id: 14264

Spatially-resolved detection of iodine in natural platinum–palladium nuggets: a comparison of PIXE and XRF

Munnik, F.; Cabral, A. R.; Lehmann, B.; Radtke, M.; Reinholz, U.; Riesemeier, H.

Recently, the role of microbial activity in mineral formation has become of great interest. In this case, the question arose for platinum–palladium nuggets recovered from an alluvial deposit (unconsolidated sediments deposited by streams) in the state of Minas Gerais in Brazil [1]. The morphological features of these aggregates of noble metals intuitively suggest that biological processes play a role in the formation of these particles. However, a geochemical fingerprint of microbial activity in precious-metal fixation is lacking. Iodine can provide such a fingerprint because it is a strongly biophile element. However, the detection of iodine at the µg/g level in a heavy matrix is quite challenging.
There are various techniques for the quantitative chemical analysis based on the detection of X-rays. Two of these techniques are PIXE (Particle Induced X-ray Emission) and XRF (X-Ray Fluorescence). In the past, only PIXE could be combined with a focussed ion beam to obtain elemental distribution maps with micrometer lateral resolution. PIXE was performed using a 3 MeV and 2 MeV H+ beam focussed to about 5x5 µm² coming from a 3 MV Tandetron accelerator at FZD, Dresden [2]. Another possibility is a mobile micro-XRF spectrometer, called MICROTAX or ArtTAX [2], in which X-rays from an X-ray tube are focussed by a polycapillary lens to a spot size of less than 100 µm. Both techniques, PIXE and µ-XRF, failed in detecting any iodine. The best detection limit obtained by PIXE was 70 µg/g for I in this matrix.
Nowadays, Synchrotron Radiation-induced XRF (SR-XRF) can also achieve spot sizes in the micrometer range. The SR-XRF analysis was carried out at the high energy beam line of the BAM, BAMline, at BESSY II. The excitation energy was 40 keV. An ~1 µm² spot size was achieved by focusing with an compound refractive lens CRL [3]. Only SR-XRF succeeded and indicated a significant positive correlation between iodine and palladium concentrations.
The measurements confirm that SR-XRF is very suitable for the detection of trace elements in heavy-metal matrices, which is mainly due to the tunability of the X-ray energy. The results of the SR-XRF measurements suggest that iodine may be used as a tracer for biologically mediated mineral formation.
[1] A.R. Cabral et al., Econ. Geol. 104, 1265-1276 (2009)
[2] F. Herrmann and D. Grambole, Nucl. Instr. Meth. B 104, 26-30 (1995)
[3] H. Bronk et al., Fresenius J Anal Chem 371, 307–316 (2001)
[4] E. Strub et al., Nucl. Instr. Meth. B 266, 2165-2168 (2008)

  • Lecture (Conference)
    ICNMTA 2010 - 12th International Conference on Nuclear Microprobe Technology and Applications, 26.-30.07.2010, Leipzig, Germany

Publ.-Id: 14263

µ-ERD and µ-PIXE characterization of H as-implanted and post-implanted annealed Oxide Dispersion Strengthened steel for fusion applications

Munnik, F.; González-Arrabal, R.; Romero, P.; Fernández, P.; Hernández, T.; Gonzalez, M.

Ferritic/martensitic ODS-steel has been proposed as one of the best candidates as structural materials to be located in future fusion reactors, i.e. ITER and DEMO. One of the points of concern in further material development for fusion applications is the study of the diffusion and/or retention of light atoms, like H, which can be produced by transmutation. In this work, we investigated the chemical composition as well as the H distribution for H as-implanted and post-implanted annealed ODS-steel samples by means of simultaneous µ-PIXE and µ-ERD measurements. In general, µ-PIXE data evidence a quite inhomogeneous distribution of yttrium in some of the samples. It has been found that those regions with a larger Y content correspond with iron- and chromium- depleted regions. The possible correlation between Y and H content is discussed, on the basis of a large H diffusion even at room temperature.

  • Poster
    ICNMTA 2010 - 12th International Conference on Nuclear Microprobe Technology and Applications, 26.-30.07.2010, Leipzig, Deutschland

Publ.-Id: 14262

Dipole strength in Sm-144 studied via (gamma,n), (gamma,p), and (gamma,alpha) reactions

Nair, C.; Junghans, A. R.; Erhard, M.; Bemmerer, D.; Beyer, R.; Grosse, E.; Kosev, K.; Marta, M.; Rusev, G.; Schilling, K. D.; Schwengner, R.; Wagner, A.

Photoactivation measurements on Sm-144 have been performed with bremsstrahlung endpoint energies from 10.0 to 15.5 MeV at the bremsstrahlung facility of the superconducting electron accelerator ELBE of Forschungszentrum Dresden-Rossendorf. The measured activation yield for the Sm-144(gamma,n) reaction is compared with the calculated yield using cross sections from previous photoneutron experiments. The activation yields measured for all disintegration channels Sm-144(gamma,n), (gamma,p), and (gamma,alpha) are compared to the yield calculated by using Hauser-Feshbach statistical models. A new parametrization of the photon strength function is presented and the yield simulated by using the modified photon strength parameters is compared to the experimental data.

Publ.-Id: 14261

Imaging of neurotensin receptors in tumors by a novel stabilized 64Cu-DOTA-neurotensin analog

Bergmann, R.; Brans, L.; Tourwe, D.; Schlottig, K.; Pietzsch, J.

Neurotensin (NT) and its receptors (NTR) are overexpressed in various tumors (breast, prostate, lung, ductal pancreas, pituitary) and play a crucial role in tumor progression and malignancy. For tumor diagnosis and optimized targeted, individualized therapy it is important to image and quantify functional expression of these receptors. The development and radiopharmacological characterization of a novel stable neurotensin analog radiolabeled with 64Cu is described.

Material and methods:
The peptide (ArgΨ(CH2NH)ArgProdmTyrtLeuLeu-OH) was synthesized by manual solid phase synthesis on a Merrifield-resin and conjugated with DOTA (1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid). Radiolabeling of the peptide (3 nmol) with 64CuCl2 was carried out in 0.1 M ammonium acetate at pH 5.5, 37°C and 15 min. The IC50 was determined on HT-29 cell membranes. Cell uptake and internalization was studied in HT-29 and PC3 cells. The biodistribution of the radiotracer was investigated in HT-29 tumor bearing NMRI nu/nu mice (5 min, 60 min p.i.; 4 animals per time point) and imaged by small animal PET (8 animals). The metabolic stability was analyzed in Wistar rats.

The binding affinity of the radiotracer towards NTR1 was 7 nM (4-12 nM, 95% confidence interval). The radiochemical purity after one step radiolabeling was greater than 92%. After single intravenous administration the activity concentration increased fast in the tumor (0.8±0.1 SUV, 5 min p.i.) and decreased to 0.3±0.1 SUV (60 min). At 60 min p.i. the tumor to organ ratios were 2.8±0.7 (blood), 5.2±0.9 (muscle), 4.2±0.6 (pancreas), 0.6±0.5 (liver), and 0.4±0.4 (kidneys). The radiotracer was fast accumulated in the kidneys (3.7±0.6 SUV, 5 min p.i.; 0.8±0.1 SUV, 60 min p.i.) and eliminated in the urine (60±6% injected dose, 60 min p.i.). The tumors were clearly delineated in the PET images. The tumor uptake of the radiotracer was competitively inhibited by 73% by simultaneous injection of the neurotensin derivative 8-13. In rat plasma 33% of the radioactivity accounted for the original compound at 60 min p.i.

The novel 64Cu-neurotensin analog with good stability and high receptor affinity allows for the in vivo imaging and functional characterization of NTR1 receptor overexpressing tumors. These findings are a prerequisite for other imaging applications, e.g., using SPECT radionuclides (111In), and potentially also for targeted radionuclide therapy (67Cu, 90Y or 177Lu).
Acknowledgement: This project was supported in part by the EC (Grant agreement no. 223057, GIPIO).

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 61(2010), 68-69

Publ.-Id: 14258

Fluorine-18 and iodine-124 labeled cyclin-dependent kinase 4 and 6 inhibitors as radiotracers for tumor imaging by positron emission tomography (PET)

Graf, F.; Bergmann, R.; Koehler, L.; Mosch, B.; Steinbach, J.; Wuest, F.; Pietzsch, J.

Cyclin-dependent kinases 4 and 6 (Cdk4/6) function as critical activators of cell cycle progression in human tumors. Pyrido[2,3 d]pyrimidine derivatives CKIA and CKIE are selective Cdk4/6 inhibitors with high potency for the inhibition of G1 phase progression and tumor cell proliferation. The aim of this study was the evaluation of radiolabeled compounds [124I]CKIA and [18F]CKIE as radiotracers for PET imaging of Cdk4/6 in tumors in vivo.

Materials and methods
Cellular uptake of radiotracers [124I]CKIA and [18F]CKIE was studied in human colorectal (HT-29) and squamous cell (FaDu) carcinoma cells. Small animal PET studies of both radiotracers were performed in FaDu xenograft-bearing nude mice.

Radiotracer uptake studies showed fast and high uptake (up to 800%ID/mg protein) of [124I]CKIA in both cell lines after 1 h at 37°C. Cellular uptake of [18F]CKIE was lower (HT 29, 46.3±11.2%ID/mg protein; FaDu, 46.2±13.8%ID/mg protein). Radiotracer uptake was significantly lower at 4°C for [124I]CKIA (150%ID/mg protein) and [18F]CKIE (15%ID/mg protein) after 1 h in both cell lines. Cellular uptake of [18F]CKIE was reduced to 18.0±4.9%ID/mg protein in the presence of 10 µM of nonradioactive CKIE at 37°C. Dynamic small animal PET studies showed rapid clearance of [124I]CKIA and [18F]CKIE from the blood and fast hepatobiliary excretion. The half-life of radiotracer elimination from the blood was calculated to be 7.2 min for [124I]CKIA and 7.9 min for [18F]CKIE, respectively. Radiotracers were rapidly metabolized in blood in vivo, yielding >90% (1 min p.i.), 20% (30 min), and <5% (1 h) of the original compounds. Small animal PET studies with [124I]CKIA only showed marginal uptake of the radiotracer in the FaDu tumor. In the case of [18F]CKIE a higher uptake was detected in the peripheral proliferative region of the tumor after 1 h p.i. However, the constant tumor-to-muscle ratio of 1.5 suggests a non-Cdk4/6-mediated uptake of [18F]CKIE in human tumor xenografts in mice.

Synthesis of pyrido[2,3-d]pyrimidine-based radiotracers [124I]CKIA and [18F]CKIE allowed for the first time the quantification of cellular uptake in vitro and imaging of tissue-specific distribution of Cdk4/6 inhibitors in vivo. However, the short biological half-life in the blood and low tumor uptake of [124I]CKIA and [18F]CKIE limit the use of both radiotracers for the characterization of Cdk4/6 expression in tumors by means of PET. Further development of suitable radiolabeled Cdk4/6 inhibitors for functional characterization of Cdk4/6 in tumors continues to be of great interest in current translational cancer research.

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Open Access Logo Abstract in refereed journal
    European Journal of Cancer 8(2010)5, 61

Publ.-Id: 14257

Effects of irradiation on viability, growth, metastatic properties and expression of Eph receptors and their ephrin ligands in human melanoma cells

Mosch, B.; Pietzsch, J.

It is accepted that X-ray irradiation influences growth, viability and metastatic potential of tumor cells. Furthermore, it is supposed that tumor cell invasion and metastasis is regulated by Eph receptors and their ephrin ligands. The aim of our study was to investigate the influence of irradiation on cell viability, growth, and metastasis in human melanoma cells and whether this is mediated by dysregulated Eph receptor or ephrin ligand expression.

Material and Methods:
Primary (Mel-Juso) and metastatic (A375, A2058) human melanoma cell lines were irradiated with 5 or 10 Gy. Up to 7 days after irradiation we examined cell viability (MTT test). At 1 day and 7 days post irradiation we further analyzed cellular growth, motility (scratch assay), adhesion to fibronectin, and migration through a porous membrane. Furthermore, the mRNA expression of 8 different Eph receptors and 6 ephrin ligands was analyzed using RT-PCR.

In all cell lines a dose dependent decrease in viability and cell growth for up to 1 week after irradiation was demonstrated. Analysis of metastatic properties 1 day after X-ray showed decelerated scratch closure, slight increase in migration, and increased adhesion to fibronectin in all investigated cell lines. In contrast, 1 week after irradiation we detected faster scratch closure in irradiated primary Mel-Juso cells but unaltered motility in metastatic cell lines and, moreover, decreased migration in primary Mel-Juso cells and, by trend also in metastatic A375 cells. In addition, in Mel-Juso and A375 cells capability to adhere to fibronectin remained elevated. RT-PCR analysis revealed that Eph receptors and ephrins investigated have similar mRNA expression levels in primary and metastatic cell lines, with exception of both EphA2 and ephrinA5 showing enhanced expression in metastatic A375 cells. After irradiation changes in mRNA expression were not
detected with exception of an increase in EphA2 and EphA3 in A375 cells and ephrins A1 and A5 in A375 and Mel-Juso cells 7 days after treatment.

Irradiation considerably influences viability and metastatic properties of melanoma cells. The different effects depending on time after irradiation observed suggest an involvement of cell-cell interaction via A-type Eph receptors and ephrins in irradiation-induced metastatic potency of melanoma cells.

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 211

Publ.-Id: 14256

Concomitant targeting of cyclooxygenase-2 and oxidant stress pathways for radioprotection of normal vascular tissue

Pietzsch, J.; Pietzsch, F.-J.; Laube, M.; Bergmann, R.; Kniess, T.; Wuest, F.

Radiotherapy of various cancers is closely associated with increased cardiovascular morbidity and mortality. Arachidonic acid metabolites are supposed to play a key role in radiation-induced vascular dysfunction, inflammation, and injury. This study was designed to evaluate the effects of novel selective cyclooxygenase-2 (COX-2) inhibitors on radiation-induced formation of arachidonic acid metabolites via cyclooxygenase-2 and oxidant stress pathways in endothelial cells.

Materials and methods:
Acute effects (1 d, 3 d) of X-ray radiation at moderate doses (2 to 10 Gy) without or with presence of selective COX-2 inhibitors (cyclopentene/indole/indomethacin derivatives (2 each); 1 µM, 10 µM) in human arterial (HAEC) and microvascular (HDMEC) endothelial cells compared to sham-irradiated controls were assessed. Therefore, the following parameters were measured: COX-2 induction; secretion of cytokines tumor necrosis factor-α, interleukin-6, and monocyte chemoattractant protein-1; release of prostaglandins PGE2 and PGI2; release of isoprostanes 8-iso-PGE2 and 8-iso-PGF2α; and oxidative stress (lipid peroxides).

Irradiation of endothelial cells without presence of COX-2 inhibitors resulted in a dose-dependent augmentation of all parameters studied. When endothelial cells were exposed to COX-2 inhibitors during and for 24 h post irradiation, indole derivatives showed highest potency to inhibit release of both prostaglandins and isoprostanes. Furthermore, when irradiated cells were treated with indole derivatives a significant decrease of lipid peroxide formation and cytokine secretion could be observed, which indicates a direct interaction with oxidant stress-pathways. By contrast, both cyclopentene and indomethacin derivatives majorily inhibited prostaglandin release, but showed only slight effects on formation of isoprostanes, lipid peroxides and cytokines. Model experiments using human low density lipoproteins oxidized by radiolytically generated oxygen radicals showed that indole derivatives differently interact with peroxidation of polyunsaturated fatty acids, than the cyclopentene/indomethacin derivatives, suggesting a physico-chemical rationale for observed anti-oxidant activity.

Indole-based selective COX-2 inhibitors substantially decreased radiation-induced formation of vasoactive isoprostanes
8-iso-PGE2 and 8-iso-PGF2α by endothelial cells. These findings may have particular importance in radiation-induced processes in which COX-2 is induced and oxidant stress occurs. The reduction of radiation-induced vascular dysfunction by antioxidative COX-2 inhibitors may widen the therapeutic window of cyclooxygenase-2 targeted treatment.

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 211

Publ.-Id: 14255

Autocrine regulation of receptor for advanced glycation endproducts (RAGE) by S100A4 promotes migration and invasion in A375 melanoma cells

Wolf, S.; Haase-Kohn, C.; Lenk, J.; Pietzsch, J.

The calcium-binding protein S100A4 is associated with metastasis of different cancer entities, including melanoma. The multiligand receptor for advanced glycation endproducts (RAGE) has been suggested to interact with extracellular S100A4 protein. We hypothesized that the interaction between RAGE and S100A4 plays an important role in activation of growth, adhesion, motility and migration in a human melanoma cell line with high metastatic potential.

Materials and methods
In order to investigate the cellular role of the RAGE-S100A4 interaction in vitro, we produced recombinant S100A4 and soluble RAGE (sRAGE). Furthermore, we established A375 melanoma cells stably transfected with S100A4 using vector pIRES2-AcGFP1 (A375-S100A4). The overexpression of S100A4 has been verified by western blot and flow cytometry. Assays for determination of migratory, invasive and adhesive behaviour of A375-S100A4 cells were performed. Furthermore, specific interaction of S100A4 with RAGE was characterized by surface plasmon resonance spectroscopy using immobilized sRAGE.

The overexpression of S100A4 did not influence growth properties and adhesive behaviour of the A375-S100A4 cells; however, it affects their motility and migratory activity in comparison to mock-transfected cells. A375-S100A4 cells show an increased secretion of S100A4 into the extracellular space and, in consequence, an enhanced RAGE protein expression. Molecular interaction studies revealed high affinity (lower micromolar range) of S100A4 towards immobilized sRAGE, suggesting a biochemical rationale for the observed effects.

This investigation shows that overexpression of S100A4 influences the metastatic behavior of A375 melanoma cells. The enhanced secretion of S100A4 leads to an autocrine upregulation of RAGE expression and synthesis in A375-S100A4 cells. The findings support the supposed functional role of RAGE-S100A4 interaction in promoting a metastatic phenotype of human melanoma.

  • Poster
    21st Meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 118-119

Publ.-Id: 14254

In-Medium Effects on K0 Mesons in Relativistic Heavy-Ion Collisions

Agakishiev, G.; Balanda, A.; Bannier, B.; Bassini, R.; Belver, D.; Belyaev, A. V.; Blanco, A.; Böhmer, M.; Boyard, J. L.; Cabanelas, P.; Castro, E.; Chernenko, S.; Christ, T.; Destefanis, M.; Díaz, J.; Dohrmann, F.; Dybczak, A.; Eberl, T.; Epple, E.; Fabbietti, L.; Fateev, O. V.; Finocchiaro, P.; Fonte, P.; Friese, J.; Fröhlich, I.; Galatyuk, T.; Garzón, J. A.; Gernhäuser, R.; Gil, A.; Gilardi, C.; Golubeva, M.; González-Díaz, D.; Guber, F.; Heilmann, M.; Heinz, T.; Hennino, T.; Holzmann, R.; Ierusalimov, A.; Iori, I.; Ivashkin, A.; Jurkovic, M.; Kämpfer, B.; Kanaki, K.; Karavicheva, T.; Kirschner, D.; Koenig, I.; Koenig, W.; Kolb, B. W.; Kotte, R.; Krizek, F.; Krücken, R.; Kühn, W.; Kugler, A.; Kurepin, A.; Lang, S.; Lange, J. S.; Lapidus, K.; Liu, T.; Lopes, L.; Lorenz, M.; Maier, L.; Mangiarotti, A.; Markert, J.; Metag, V.; Michalska, B.; Michel, J.; Mishra, D.; Morinière, E.; Mousa, J.; Müntz, C.; Naumann, L.; Otwinowski, J.; Pachmayer, Y. C.; Palka, M.; Parpottas, Y.; Pechenov, V.; Pechenova, O.; Perez-Cavalcanti, T.; Pietraszko, J.; Przygoda, W.; Ramstein, B.; Reshetin, A.; Roy-Stephan, M.; Rustamov, A.; Sadovsky, A.; Sailer, B.; Salabura, P.; Schmah, A.; Schwab, E.; Sobolev, Y. G.; Spataro, S.; Spruck, B.; Ströbele, H.; Stroth, J.; Sturm, C.; Sudol, M.; Tarantola, A.; Teilab, K.; Tlusty, P.; Traxler, M.; Trebacz, R.; Tsertos, H.; Wagner, V.; Weber, M.; Wisniowski, M.; Wojcik, T.; Wüstenfeld, J.; Yurevich, S.; Zanevsky, Y. V.; Zhou, P.; Zumbruch, P.

We present the transverse momentum spectra and rapidity distributions of \pi^{-} and K^0_S in Ar+KCl reactions at a beam kinetic energy of 1.756 A GeV measured with the spectrometer HADES. The reconstructed K^0_S sample is characterized by good event statistics for a wide range in momentum and rapidity. We compare the experimental \pi^{-} and K^0_S distributions to predictions by the IQMD model. The model calculations show that K^0_S at low tranverse momenta constitute a particularly well suited tool to investigate the kaon in-medium potential. Our K^0_S data suggest a strong repulsive in-medium K^0 potential of about 40 MeV strength.

Publ.-Id: 14253

Direct Measurement of Electrical Transport Through G-Quadruplex DNA with Mechanically Controllable Break Junction Electrodes

Liu, S.-P.; Weisbrod, S.; Tang, Z.; Marx, A.; Scheer, E.; Erbe, A.

Here we report on direct transport measurements on a G-quadruplex covalently wired between two gold electrodes realized by the mechanically controllable break junction technique. We found that the G-quadruplex shows a rather high conductance. Interestingly, when the distance of both electrodes was reversibly varied over a several nm-span this conductance behavior persists reproducibly. These hitherto unprecedented properties make G-quadruplexes interesting candidates for nanoelectronic applications where varied distances between electrodes need bridging without loss of conductance.

Keywords: molecular electronics; DNA; mechanically controlled break junctions; nanoelectronics

Publ.-Id: 14252

Influence of irradiation on para- and autocrine regulation of extracellular S100A4 (metastasin) and its receptor RAGE in B16 mouse melanoma cells

Haase-Kohn, C.; Wolf, S.; Pietzsch, J.

Malignant melanoma is one of the most invasive and metastatic tumors. A common therapeutic approach towards metastases will combine radiation with chemotherapy and/or surgery. The interaction between tumor and inflammatory cells, e.g., via S100A4 (metastasin) and the receptor for advanced glycation endproducts (RAGE), is hypothesized to play a key role in metastasis of melanoma. In this study the contribution of para- and autocrine S100A4-RAGE activation to growth, motility and migration of metastatic melanoma and inflammatory cells before and post irradiation was investigated.

Materials and methods:
Mouse melanoma cells (B16), macrophages (RAW; a model for tumor associated macrophages (TAM)) and B16/RAW cocultures (ratio 1 to 5) were exposed to single dose irradiation (5, 10, and 20 Gy, compared to sham-irradiated controls) for 0, 3 and 6 days. S100A4 and RAGE expression in these cells was quantified via real-time RT-PCR, Western-blot analysis and immunochemistry. Cell growth and cellular viability was detected by MTT assay. Migration assays of non- and irradiated cells were performed with and without chemoattractants (supernatants of irradiated cocultures after 6 days). Additionally, the actin cross-linker L-plastin was investigated as a migratory marker.

Post irradiation, S100A4 and RAGE mRNA expression was significantly increased in B16 and RAW cells but not in cocultivated cells. S100A4 protein expression was only detected in irradiated B16 cells whereas RAW cells always showed high levels in non- and irradiated cells. Interestingly, cocultures showed only minor S100A4 expression levels with a further reduction of S100A4 after irradiation. In contrast, RAGE protein showed only slight differences. A significant reduction of cell viability was observed after irradiation via MTT assay. On the other hand, migratory activity was significantly increased in B16 and cocultures after irradiation whereas RAW cells showed a significant decrease. Furthermore, chemoattractants significantly induced the migration in non-irradiated B16 cells.

Irradiation of both melanoma cells and macrophages alters their migratory and invasive activity. Under conditions of cocultivation these effects were more pronounced. We suppose an involvement of para- and autocrine regulation of extracellular S100A4 and its receptor RAGE in melanoma cells and TAM, thereby changing functional properties of melanoma cells towards a promigratory phenotype.

  • Poster
    21st meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 211-212

Publ.-Id: 14251

The impact of hypoxia on differential expression of neurotensin receptors (NTR) in colorectal and prostate carcinoma cells

Schlottig, K.; Bergmann, R.; Steinbach, J.; Haase-Kohn, C.; Pietzsch, J.

Recent studies showed increased expression of neurotensin receptors (NTR), particularly, NTR1 and NTR3, in various tumors, thus NTR is assumed a potential target for tumor imaging and therapy. However, the knowledge about the quantitative expression of NTR on mRNA and protein level, e.g., under hypoxic conditions is limited. The aim of this study was to develop a quantitative method for determination of absolute NTR mRNA amount in tumor and non-tumor cells and tissues. For method evaluation the NTR mRNA amounts in human colorectal (HT-29) and prostate (PC3) carcinoma cell lines under normoxic and hypoxic conditions in vitro were compared.

Material and methods:
A novel real-time RT-PCR method using an external standard was established. The elongation factor 1 alpha (EF1α) gene served as housekeeping gene and glucose transporter protein type 1 gene (GLUT1) was used as indicator for cellular hypoxic regulation effects. The derived standard curves allow for calculation of the number of specific mRNA molecules normalized to 1000 molecules of EF1α. Acute and chronic experimental hypoxia was induced by cultivation of cells at an oxygen concentration of 0.6% for 4 to 72 hours.

Both HT-29 cells and PC3 cells show high mRNA expression of NTR1 in normoxia. In acute hypoxia (

A novel standardizable and reproducible quantitative method for measurement of NTR mRNA in cancer cells was established. The use of NTR1 as a target for imaging or therapy strongly depends on tumor cell type and tumor hypoxia. Ongoing investigations will compare quantitative mRNA expression with data on functional expression of NTR, e.g., protein synthesis and radioligand interaction, in human samples and rodent tumor (xenograft) models.

  • Poster
    21st meeting of the European Association for Cancer Research (EACR-21), 26.-29.06.2010, Oslo, Norway
  • Abstract in refereed journal
    European Journal of Cancer 8(2010), 61

Publ.-Id: 14250

Structural characterization of H plasma-doped ZnO single crystals by Hall measurements and photoluminescence studies

Anwand, W.; Brauer, G.; Cowan, T. E.; Heera, V.; Schmidt, H.; Skorupa, W.; von Wenckstern, H.; Brandt, M.; Benndorf, G.; Grundmann, M.

Nominally undoped, hydrothermally grown ZnO single crystals have been investigated prior to and after doping in remote H plasma. Characterizations have been made by temperature-dependent Hall effect (TDH) and low temperature photoluminescence (PL) measurements. The H content before and after the doping has been de-termined using nuclear reaction analysis and is compared to the density of shallow donors derived from the TDH measurements.
The electrical properties of the as-grown ZnO sin-gle crystals are found to differ significantly. This is as-cribed to the density ratio of shallow donors and compen-sating acceptors. PL measurements showed that AlZn, GaZn, and interstitial zinc (Zni) are prominent shallow donors in the as-grown samples.
Remote H plasma treatment produced a metallic conducting near-surface layer thus masking the electrical properties of the bulk. The electrical properties of the in-vestigated samples are very similar after the treatment, independent of the as-grown state, because the density of shallow donors far exceeds that of compensating accep-tors in the affected near-surface region. The maximum of the broad near-band-edge emission is found to be located at 3.3595 eV due to the high doping density.

Keywords: ZnO single crystals; H plasma doping; temperature-dependent Hall effect; low temperature photoluminescence

Publ.-Id: 14249

Hochauflösende Rutherford-Streuspektrometrie zur Untersuchung von ZrO2-Schichtwachstum im Anfangsstadium

Vieluf, M.

Die vorliegende Arbeit entstand im Rahmen einer Kooperation des Forschungszentrums Dresden-Rossendorf mit Qimonda Dresden GmbH & Co. OHG. Mithilfe der hochauflösenden Rutherford-Streuspektrometrie (HR-RBS) wurden das Diffusionsverhalten und Schichtwachstum von ZrO2 auf SiO2 und TiN im Anfangsstadium untersucht. Auf Grund der exzellenten Tiefenauflösung von 0,3 nm an der Oberfläche stand die Analyse von Konzentrationsprofilen in ultradünnen Schichten, respektive an deren Grenzflächen im Vordergrund.
Zur qualitativen Verbesserung der Messergebnisse wurde erstmals ein zweidimensionaler positionsempfindlicher Halbleiterdetektor in den Aufbau der HR-RBS implementiert und charakterisiert. Außerdem wurde ein Messverfahren in Betrieb genommen, das mögliche Schädigungen durch den Ioneneintrag in die Messprobe minimiert. Durch die Optimierung der experimentellen Bedingungen und die Entwicklung eines Programmpaketes zur Unterstützung des Analysten konnte ein effizienter Routine-Messablauf erstellt werden.
Im Moment einer binären Kollision zwischen einfallendem Ion und Targetelement kommt es bei kleinem Stoßparameter zu Veränderungen des Ladungszustands der gestreuten Ionen, insbesondere durch die abrupte Geschwindigkeitsänderung des Projektils und der Überlappung der Elektronenwolken. Bei der HR-RBS mit Energie separierendem Dipolmagneten muss zur Interpretation von Streuspektren die Ladungszustandsverteilung der gestreuten Projektile bekannt sein. Erstmalig konnte eine signifikante Abhängigkeit der Ladungszustandsverteilung gestreuter C-Ionen sowohl von der Schichtdicke als auch der Ordnungszahl des detektierten Targetelements, hier der vierten Nebengruppe, nachgewiesen werden.
Diese gewonnen Erkenntnisse ermöglichten systematische Untersuchungen zum ZrO2-Schichtwachstum im Anfangsstadium. Zur Herstellung der ZrO2-Schichten wurde die Atomlagenabscheidung (ALD) verwendet. Anhand der nachgewiesenen Agglomeration von ZrO2 auf nativen SiO2 wurde mithilfe der Rasterkraftmikroskopie (AFM) zur Bestimmung von Oberflächenrauigkeiten eine Methode konzipiert, welche die Auswirkung lokaler Schichtdickeninhomogenitäten auf die niederenergetische Flanke eines Streuspektrums berücksichtigt. Auf dieser Grundlage durchgeführte Simulationsrechnungen ergeben, dass keine Diffusion von Zr in die darunter liegende Schicht stattfand, jedoch eine ZrSiO4-Grenzflächenschicht existiert. Für das Wachstum von ZrO2 auf TiN wird aus den hoch aufgelösten Streuspektren ein völlig anderes Verhalten abgeleitet. Messungen zu Oberflächentopografien der TiN-Schicht liefern nicht zu vernachlässigende Werte für die Rauigkeit. Um den Einfluss der Oberflächenrauigkeit auf die Form des hoch aufgelösten Spektrums erfassen zu können, wurde eine Software entwickelt. Auf Basis von AFM-Messungen ermöglicht dieses Programm das Extrahieren einer Energieverteilung aus den Weglängen von ausschließlich an der Oberfläche gestreuten Ionen. Unter Berücksichtigung des Effekts der Oberflächenrauigkeit auf die HR-RBS Spektrenform konnte die Diffusion von Zr in das polykristalline TiN erstmals verifiziert werden. Die Beobachtungen weisen daraufhin, dass bereits nach dem ersten ALD-Zyklus ein geringer Anteil der deponierten Zr-Atome bis in eine Tiefe von etwa 3 nm in das TiN diffundiert. Die vorläufigen Ergebnisse legen Korngrenzendiffusion nahe.

  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; FZD-537 2010
    ISSN: 1437-322X


Publ.-Id: 14247

Chiral symmetry and medium modifications of mesons

Hilger, T.

Using QCD sum rules we investigate the in-medium behavior of pseudo-scalar and vector mesons. The rho meson is considered within a scenario of pure chiral restoration by dropping the chirally odd condensates. The interplay of mass shift and broadening of the spectral function is highlighted. We apply finite density QCD sum rules to mesons consisting of a heavy and a light quark (D, Ds and B) and investigate their sensitivity to the chiral condensate and consider the splitting of particle and antiparticle spectral functions with increasing density of the ambient nuclear matter. In order to gain a more direct dependence on the chiral condensate and other potential order parameters of chiral symmetry we present a series of Weinberg-Shuryak type sum rules for heavy-light systems at finite densities. Furthermore, the special role of the gluon condensates for systems consisting of two heavy quarks (e.g. J/Psi) and the QCD trace anomalie allows an extension of the method to large temperatures at non-zero baryon densities using the Rossendorf quasi-particle model.

Keywords: QCD sum rules; chiral symmetry; rho meson; D meson; open charm; chiral partner; J/Psi; Dyson-Schwinger equation; Bethe-Salpeter equation

  • Lecture (Conference)
    EMMI workshop "Quarkonium and the deconfined matter in the LHC era", 15.-20.06.2010, Martina Franca, Italien
  • Lecture (Conference)
    QCD 10 - 15th high-energy physics international conference in quantum, 28.06.-3.7.2010, Montpellier, Frankreich
  • Lecture (Conference)
    QCHS 9 - IX Quark Confinement and the Hadron Spectrum, 30.08.-03.09.2010, Madrid, Spanien

Publ.-Id: 14245

Chiral condensate and medium modifications of open charm mesons

Hilger, T.

Mit Hilfe von QCD-Summenregeln untersuchen wir die Sensitivität von pseudoskalaren Mesonen bestehend aus einem leichten und einem schweren Quark (D, D_s und B) auf das chirale Kondensat und betrachten mögliche Verschiebungen oder Aufspaltungen der Massen (d.h. Änderungen der Spektralfunktionen) von Teilchen und Antiteilchen unter Annahme einer linearen Dichteabhängigkeit der Kondensate.
Um Systeme mit direkterer Abhängigkeit vom chiralen Kondensat zu untersuchen, betrachten wir Weinberg-Kapusta-Shuryak Summenregeln bei endlichen Dichten im schwer-leicht Sektor.
Die besondere Rolle der Gluonenkondensate in Systemen aus zwei schweren Quarks (z.B. J/psi) und deren Beziehung zur QCD Spur Anomalie ermöglicht eine Erweiterung der Methode der QCD Summenregeln auf Temperaturen nahe T_c. Unter Verwendung des Rossendorfer Quasi-Teilchen-Modells bestimmen wir die Temperaturabhängigkeit des Digluonen-Kondensats bei endlichen Baryondichten nahe T_c und diskutieren deren Auswirkung auf das J/psi.

Keywords: QCD sum rules; D mesons; open charm; J/Psi; chiral partner

  • Lecture (Conference)
    74. Jahrestagung der DPG und DPG Frühjahrstagung der Fachverbände, 15.-19.03.2010, Bonn, Deutschland

Publ.-Id: 14244

CFD modelling to predict the counter-current flow limitations of the air/water counter-current two-phase flow in 1/3rd flat channel model of a hot-leg pressurized water reactor

Deen, D.; Höhne, T.; Lucas, D.; Vallée, C.

The analytical simulation of the counter-current flow limitation phenomenon in a PWR is an essential element to understand safety-related issues in nuclear power plants. It is expected that the introduction of computational fluid dynamics (CFD) tools will enhance the accuracy of the simulation predictions compared to the established one-dimensional thermal hydraulic analyses. Nevertheless, the use of CFD for this complicated task is still a challenge today. Due to the need to understand the CCFL phenomenon in a PWR for reasons of safety and characterisation of normal operation, it is necessary to validate computer codes and to verify computational results using experimental data. Therefore it is also interest to prove the understanding of the general fluid dynamic mechanism leading CCFL and to identify the critical parameters affecting this phenomenon.

In order to improve the transient analysis of counter-current two-phase flows, experimental and numerical studies were conducted at Forschungszentrum Dresden-Rossendorf (FZD). A 1/3rd scale model of the hot leg PWR of a German Konvoy Pressurized Water Reactor with rectangular cross section was used. The experimental results on this topic were reported in previous reports [Deendarlianto et al. (2008) & Vallée et al. (2009)]. Selected an air-water CCFL experiment at 0.15 MPa and room temperature at FZD (experimental running number 30-09) was numerically modelled with three-dimensional two-fluid models of computer code CFX 12.0 (ANSYS CFX). The aim of this CFD simulation is to validate the prediction model of the CCFL with the existing multiphase flow models built in the commercial code ANSYS CFX. CFD simulation was performed using the multi-fluid Euler-Euler modeling approach or free surface model available in CFX. The calculation was carried out in fully transient manner using a gas/liquid inhomogeneous multiphase flow model coupled with a shear stress transport (SST) turbulence model. In the present numerical study, the drag coefficient was approach by using the Algebraic Interfacial Area Density (AIAD) model. The results indicated that quantitative agreement between calculation and experimental data was obtained for the occurrence of flooding point. Next, it was found also that a comparison with the high-speed video observations shows a good qualitative agreement.

Keywords: Computational fluid dynamic; Counter-current flow limitation; Algebraic Interfacial Area Density (AIAD) Model

  • Contribution to proceedings
    7th Multiphase Flows Workshop: Simulation, Experiment and Application, 22.-24.06.2010, Forschungszentrum Dresden, Germany
    CFD modelling to predict the counter-Current flow limitations of the air/water counter-current two-phase flow in 1/3rd flat channel model of a hot-leg pressurized water reactor
  • Lecture (Conference)
    7th Multiphase Flows Workshop: Simulation, Experiment and Application, 22.-24.06.2010, Forschungszentrum Dresden, Germany

Publ.-Id: 14243

CFD: Mixing process is it an art of science?

Höhne, T.

Basic Phenomenon
Boron 10 = strong thermal neutron absorber
Used as boric acid solved in the coolant of PWRs to compensate excess reactivity inadvertant or unavoidable decrease of boron concentration (boron dilution) might result in a reactivity transient
Power peak depends on coolant mixing in Cold leg, Downcomer Lower plenum Density differences can strongly influence the mixing

Keywords: CFD; mixing; boron dilution

  • Invited lecture (Conferences)
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia
  • Contribution to proceedings
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia

Publ.-Id: 14242

CFD: Validation of Multiphase flow

Höhne, T.

CFD codes for application in horizontal multiphase flows:
the investigation of the feasibility of numerical prediction of stratified two phase flow with existing multiphase flow models in ANSYS CFX to prove the understanding of the general fluid dynamic mechanism
to identify the critical parameters (like e.g. slug length, frequency and propagation velocity, pressure drop, CCFL) to improve the multiphase flow modeling (interfacial momentum transfer, turbulence at the free surface et.) experimental data required for the validation

Keywords: CFD; stratified two phase flow; turbulence; interfacial momentum transfer

  • Invited lecture (Conferences)
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia
  • Contribution to proceedings
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia

Publ.-Id: 14241

CFD: European experience of 15 years

Höhne, T.

CFD (Computational Fluid Dynamics) is the simulation of fluids engineering systems using modeling (mathematical physical problem formulation) and numerical methods (discretization methods, solvers, numerical parameters, and grid generations, etc.)
CFD made possible by the advent of digital computer and advancing with improvements of computer resources (500 Floating Point Operations per Second (flops), 1947 1 Petaflops, 2009)

Keywords: CFD

  • Invited lecture (Conferences)
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia
  • Contribution to proceedings
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia

Publ.-Id: 14240

CFD: In Nuclear Reactor Safety

Höhne, T.

Strong increase of usage of three-dimensional Computational Fluid Dynamics (CFD) in industrial applications because for instance
pressurized thermal shocks,
coolant mixing,
thermal striping
cannot be predicted by traditional one-dimensional system codes with the required accuracy and spatial resolution.

Keywords: CFD; Nuclear Safety

  • Invited lecture (Conferences)
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia
  • Contribution to proceedings
    CFD Validation Training, Malaysia, KLCC, KL, 10.-12.07.2010, Kualar Lumpur, Malaysia

Publ.-Id: 14239

Hot Electrons Transverse Refluxing in Ultraintense Laser-Solid Interactions

Buffechoux, S.; Psikal, J.; Nakatsutsumi, M.; Romagnani, L.; Andreev, A.; Zeil, K.; Amin, M.; Antici, P.; Burris-Mog, T.; Compant-La-Fontaine, A.; D’Humières, E.; Fourmaux, S.; Gaillard, S.; Gobet, F.; Hannachi, F.; Kraft, S.; Mancic, A.; Plaisir, C.; Sarri, G.; Tarisien, M.; Toncian, T.; Schramm, U.; Tampo, M.; Audebert, P.; Willi, O.; Cowan, T. E.; Pépin, H.; Tikhonchuk, V.; Borghesi, M.; Fuchs, J.

We have analyzed the coupling of ultraintense lasers (at ∼2×1019   W/cm2) with solid foils of limited transverse extent (∼10  s of μm) by monitoring the electrons and ions emitted from the target. We observe that reducing the target surface area allows electrons at the target surface to be reflected from the target edges during or shortly after the laser pulse. This transverse refluxing can maintain a hotter, denser and more homogeneous electron sheath around the target for a longer time. Consequently, when transverse refluxing takes places within the acceleration time of associated ions, we observe increased maximum proton energies (up to threefold), increased laser-to-ion conversion efficiency (up to a factor 30), and reduced divergence which bodes well for a number of applications.

Publ.-Id: 14238

Modeling poly-dispersed flows with the Inhomogeneous MUSIG model

Lucas, D.; Krepper, E.

The qualification of Computational Fluid Dynamics (CFD) codes for two-phase flows is an important topic in the frame of German CFD initiative initiated by the Gesellschaft für Anlagen- und Reaktorsicherheit (GRS). This concerted action especially aims on phenomena in the primary system of light water reactors. Forschungszentrum Dresden-Rossendorf e.V. (FZD) is involved in both – the generation of CFD-grade databases and CFD model development and validation. The data obtained in our TOPFLOW experiments clearly show a separation of small and large bubbles over the pipe radius due to the action of the lateral lift force. This has a considerable influence on the local interfacial area density. Also the other bubble forces as drag and turbulent dispersion force clearly depend on the bubble size. For this reason it is important to introduce bubble size dependent velocities fields in a proper modeling of poly-dispersed flows.

Keywords: bubbly flow; interfacial area transport; dispersed flow; MUSIG; CFD

  • Contribution to proceedings
    ANS 2010 Winter Meeting, 07.-11.11.2010, Las Vegas, U.S.A.
    Transactions of the ANS 2010 Winter Meeting
  • Invited lecture (Conferences)
    ANS 2010 Winter Meeting, 07.-11.11.2010, Las Vegas, U.S.A.

Publ.-Id: 14237

CFD-grade databases on two-phase upwards vertical pipe flows

Lucas, D.; Beyer, M.; Szalinski, L.

The qualification of Computational Fluid Dynamics (CFD) codes for two-phase flows is an important topic in the frame of German CFD initiative initiated by the Gesellschaft für Anlagen- und Reaktorsicherheit (GRS). This concerted action especially aims on phenomena in the primary system of light water reactors. The Transient twO Phase FLOW (TOPFLOW) test facility is one of the reference experimental facilities within this CFD network. One type of experiments aims on generation of CFD-grade data (i.e. data with high resolution in space and time) for poly-dispersed bubbly flows. Such data were obtained at the TOPFLOW facility for upwards vertical pipe flow using the wire-mesh sensor technique. Different experimental series were done for adiabatic air-water and steam-water flows as well as for condensing and evaporating flows. Beside bubbly flows the database also comprises measurements for slug, churn-turbulent and wispy-annular flows. The aim of this presentation is to give an overview on the available database.

Keywords: bubbly flow; interfacial area transport; pipe flow; bubble size distributions; CFD-grade data

  • Contribution to proceedings
    ANS 2010 Winter Meeting, 07.-11.11.2010, Las Vegas, U.S.A.
    Transactions of the ANS 2010 Winter Meeting
  • Invited lecture (Conferences)
    ANS 2010 Winter Meeting, 07.-11.11.2010, Las vegas, U.S.A.

Publ.-Id: 14236

Experimental observations related to the lateral lift force in poly-dispersed bubbly flows

Lucas, D.

The influence of the lateral lift force on trajectories of single bubbles under idealized conditions was investigated in the past by means of Direct Numerical Simulations (DNS) and by well defined experiments. However, contradictory discussions can be found in literature on the meaning of this force for poly-dispersed flows, i.e. flow with medium or high gas volume fraction. Usually such flows are turbulent and bubble-bubble interaction, i.e. bubble coalescence and breakup play an important role. For this reason it is not self-evident, that the correlation for the lift force coefficient obtained by Tomiyama can be applied for such flows.
The separation of small and large bubbles in poly-dispersed flows was clearly shown in experiments on vertical pipe flow basing on wire-mesh sensor measurements which allow the measurement of bubble size distributions. The critical diameter at which the lift force changes its sign predicted by the Tomiyama correlations (5.8 mm for air-water flow at ambient conditions) seems to fit in general well with the transition between wall and core peaks in the radial gas volume fraction profiles decomposed according to the bubble size. This was also confirmed for steam-water flows at a pressure of 6.5 MPa for which the critical diameter is at about 3.5 mm according to the correlation.
However in case of void fraction larger than about 5 % the effect of the lift force is superposed by dynamic effects as bubble coalescence and breakup and radial migration of the bubbles. For this reason it is not possible to conclude on the critical diameter directly from the shape of the radial gas volume fraction profiles. Also, it was argued, that the wall peak of small bubbles can be caused by large bubbles moving fast upwards in the pipe centre and pushing the small bubbles towards the wall. For this reason in the presented work the distribution of bubbles in dependence on radial position and on bubble sizes is investigated in detail for developing flows. New, high-quality data on air-water as well as on steam-water flows in a DN200 pipe are used for these investigations. The validity of the Tomiyama correlation can be confirmed for a wide range of flow rates. Finally the consequences of the lateral lift force on the flow bubble columns, on the stability of homogeneous bubbly flows and on bubble plumes produced by bubble entrainment from impinging jets are discussed.

Keywords: bubbly flow; lift force; dispersed flow

  • Lecture (Conference)
    48th European Two Phase Flow Group Meeting, 27.-30.06.2010, London, United Kingdom

Publ.-Id: 14235

Nitrogen interstitial induced texture depth gradient in stainless steel

Templier, C.; Stinville, J. C.; Renault, P. O.; Abrasonis, G.; Villechaise, P.; Riviere, J. P.; Drouet, M.

The microstructural changes induced by the incorporation of large quantities of nitrogen in austenitic stainless steel are analyzed. Phase and texture modification as well as grain rotation are investigated by X-ray and electron backscatter diffraction. A quantitative dependence of the rotation on the grain orientation is determined by means of depth profiling and diffraction techniques. Correlation between local nitrogen interstitial content, associated crystallographic rotation and degree of texturing is established.

Keywords: Texture; Lattice rotation; Nitriding; Stainless steel

Publ.-Id: 14234

Out-of-plane magnetic patterning on austenitic stainless steels using plasma nitriding

Menendez, E.; Stinville, J. C.; Tromas, C.; Templier, C.; Villechaise, P.; Rivière, J. P.; Drouet, M.; Martinavicius, A.; Abrasonis, G.; Fassbender, J.; Baro, M. D.; Sort, J.; Nogues, J.

A correlation between the grain orientation and the out-of-plane magnetic properties of nitrogen-enriched polycrystalline austenitic stainless steel surface is performed. Due to the competition between the magnetocrystalline anisotropy, the exchange and dipolar interactions, and the residual stresses induced by nitriding, the resulting effective magnetic easy-axis can lay along unusual directions. It is also demonstrated that, by choosing an appropriate stainless steel texturing, arrays of ferromagnetic structures with out-of-plane magnetization, embedded in a paramagnetic matrix, can be produced by local plasma nitriding through shadow masks.

Publ.-Id: 14233

On lattice plane rotation and crystallographic structure of the expanded austenite in plasma nitrided AISI 316L steel

Templier, C.; Stinville, J. C.; Villechaise, P.; Renault, P. O.; Abrasonis, G.; Riviere, J. P.; Martinavicius, A.; Drouet, M.

Crystallographic structure and lattice rotation of the ‘expanded’ austenite produced by means of low temperature plasma nitriding is investigated. The microstructure of the nitrogen enriched layer has been investigated by means of X-ray diffraction (XRD) while the lattice rotations in the nitrided zone were assessed by electron backscattered diffraction (EBSD). The nitrogen depth profiles have been determined by means of glow discharge optical emission spectroscopy and nuclear reaction analysis. XRD shows the presence of the ‘expanded’ austenite or γN phase in all the nitrided samples characterized by average larger lattice spacing in relation to non-nitrided steel matrix. EBSD investigation demonstrates that in addition to the lattice expansion nitrogen incorporation into the stainless steel matrix induces significant lattice rotations. The amount and direction of these crystallographic plane rotations are function of the initial orientation. An unusual evolution of the 220 γN line as a function of the nitriding duration is observed together with an anomalously high intensity ratio of the 111 and 200 γN and matrix lines. The XRD results are interpreted on the basis of the lattice rotations of diffracting planes, nitrogen concentration gradient, nitrogen diffusion anisotropy and residual stress. It shows that these rotations are a pertaining feature for the understanding of the γN microstructure.

Keywords: Plasma nitriding; Expanded austenite; XRD; EBSD; Lattice rotation; Austenitic stainless steel

Publ.-Id: 14232

Nanoscale precipitation patterns in carbon-nickel nanocomposite thin films: period and tilt control via ion energy and deposition angle

Abrasonis, G.; Oates, T. W. H.; Kovacs, G.; Grenzer, J.; Persson, P. O. A.; H. Heinig, K.-H.; Martinavicius, A.; Jeutter, N.; Baehtz, C.; Tucker, M.; Bilek, M. M. M.; Moeller, W.

Periodic precipitation patterns in C:Ni nanocomposites grown by energetic ion co-deposition are investigated. Films were grown at room temperature by ionized physical vapor deposition using a pulsed filtered cathodic vacuum arc. We reveal the role of the film composition, ion energy and incidence angle on the film morphology using transmission electron microscopy and grazing incidence small angle x-ray scattering. Under these growth conditions, phase separation occurs in a thin surface layer which has a high atomic mobility due to energetic ion impacts. This layer is an advancing reaction front, which switches to an oscillatory mode, producing periodic precipitation patterns. Our results show that the ion induced atomic mobility is not random, as it would be in the case of thermal diffusion, but conserves to a large extent the initial direction of the incoming ions. This results in a tilted pattern under oblique ion incidence. A dependence of the nanopattern periodicity and tilt on the growth parameters is established and pattern morphology control via ion velocity is demonstrated.

Keywords: nanocomposites; phase separation; self-organization; thin films

Publ.-Id: 14231

Estrogen detection in water by silicon based light emitters

Cherkouk, C.; Rebohle, L.; Skorupa, W.; Helm, M.

The immediate and accurate monitoring of chemical and biological substances is essential in environmental analysis for minimizing the health risk for citizens and their exposure to pollutants. Recently, considerable attention has been focused on endocrine-disrupting compounds (EDCs), such as estrogens, which constitute a wide group of environmental pollutants, especially in drinking water.
A new concept for measuring the concentration of such organic compounds by using Si-based, integrated light sources for fluorescence analysis is presented. In that concept the analyte, estrogen in this example, is labelled with a fluorescence marker and is immobilized at the passivated surface of the light emitter by receptor molecules.
The ion beam technology is one of the most essential steps of the light emitter fabrication. The integrated light emitters are based on a metal-oxide-semiconductor (MOS) structure. This oxide layer is implanted with Ge or rare earth ions (Gd and Tb) followed by annealing and SiON deposition. Depending on the implanted element there is a broad palette of MOS devices emitting light from the UV up to the red spectral region. The combination between Si-based integrated light emitter and this kind of biosensing opens a way to extremely small device dimensions and is of great interest for point-of-care measurements.

The current system was investigated Fourier-Transform infrared spectroscopy (FTIR), x-ray-photoelectron spectroscopy, photoluminescence (PL) and electroluminescence (EL) measurements.

  • Lecture (Conference)

Publ.-Id: 14230

Estrogen detection in waterish solutions by Silicon based light emitters

Cherkouk, C.; Rebohle, L.; Skorupa, W.; Helm, M.

Endocrine-disrupting compounds (EDC´s) constitute a wide group of environmental pollutants that causes severe effects on the people and wild life. Actually, considerable interests have been focused on quantification methods for analytical tracing of chemical substances in drinking water, as in food industry, and medical diagnostic.
A sensor concept for estrogen detection in waterish solutions by Silicon based light emitters (MOSLED) was developed. This concept is based on direct fluorescence analysis and consists of a certain arrangement of the bio- components and their fabrication methods as well as the measurement protocol.
The functionalization of the SiO2 surface of the MOSLED was realized by means of the new developed SSC (Spraying Spin Coating) method. The chemical precursors of this method are organofunctional silane groups with three different functional groups, namely the amino-, carboxyl-, and thiolgroups. These results have been compared with those of the literature. The optimization of the SSC-method was analyzed by means of standard surface science techniques like FTIR-, Raman-, and XPS-spectroscopy. The surface roughness was applied by using AFM-spectroscopy, which showed a smooth surface by the samples treated with the SSC-method.
In order to immobilize the hER(alpha) receptor at the surface, the receptor was bound to the molecular shell of the QDot655 dye and finally adsorbed to the silanized SiO2 surfaces. The fraction of the immobilized hER(alpha) receptors was controlled via Photoluminescence-measurements.
The whole concept of the sensor was tested at two water samples containing estrogen in different concentrations.

  • Lecture (Conference)
    From embedded sensors to sensorial materials, 07.-11.06.2010, Strasbourg, France

Publ.-Id: 14229

Quantitative observation of transport processes in soils with high-resolution PET

Kulenkampff, J.; Gründig, M.; Lippmann-Pipke, J.; Zakhnini, A.; Enzmann, F.; Kersten, M.

Positron-Emission-Tomography (PET) enables direct and quantitative monitoring of the spatio-temporal distributions of dissolved inert and/or reactive PET-nuclides and PET-nuclide-labelled compounds during their passage through decimetre-scaled material samples. We apply PET exclusively to geological samples and reach the physical resolution limit of about 1 mm with our small-animal-PET scanner (ClearPET, Raytest). We suggest our GeoPET has unrivalled sensitivity and selectivity for tracer concentrations to some 107 tracer atoms/µl and thus is ideally suited for direct flow and transport process observations in soils. This lower limit of the tracer concentration in the order of about 1 kBq/µl outranges other process observation methods (e.g. NMR or resistivity tomography) by many orders of magnitude. Like in the common medical practice, a combination with µCT for structural imaging would be advantageous for improving the spatial significance.
In the past we demonstrated the feasibility of the method, applying in-house developed and medical PET-scanners. The installation of the PET scanner in our controlled area makes possible long-term experiments and the application of non-standard and long-living PET-nuclides (like 124I, decay time 4 days, and 58Co, decay time 71 days). The installation of a new cyclotron will also extend the availability of short-living PET-isotopes for fast process observations (e.g. 11C, decay time 20 min). Application of these nuclides extends the common radiopharmaceutical practice of labelling organic compounds with 18F (decay time 110 min).
The density of geomaterials may cause more than 50% of Compton-scattered events, which degrade the image quality. The quantification of the resulting artefacts is under way by Mont-Carlo model-based tools and will significantly empower the scatter-correction procedures.
Transport observation studies have been conducted on consolidated, partially fractured rocks and on soils, often showing more or less localized transport pathways. The effective volume and transport network, as well as the effective surface area for specific process conditions can be derived directly and quantitatively from the spatio-temporal tracer distribution in the sample, which can be visualized as 3D-movie, in contrast to indirect observations based on break-through curves at the endpoint of the sample. Comparisons with Lattice-Boltzmann simulations based on structural information obtained by µCT are indicating, that any actual transport field very much depends on elusive boundary conditions and therewith represents just one instance of a variety of possible spatio-temporal distributions with similar effective parameters.

Keywords: tracer; transport; PET; soil; process tomography

  • Lecture (Conference)
    Advanced Spectroscopy and Microscopic Characterisation Techniques - Tools to Enlighten Biogeochemical Interfaces in Soils, 04.-06.10.2010, Jena, Deutschalnd

Publ.-Id: 14228

Temperature Measurement in Rapid Thermal Processing with focus on the application to Flash Lamp Annealing

Reichel, D.; Skorupa, W.; Lerch, W.; Gelpey, J. C.

The present review intends to help its reader find a suitable method for temperature measurement in Millisecond Spike Annealing (MSA). For this purpose it is going to highlight current and former industrial and research approaches for both RTP (Rapid Thermal Processing) and MSA to measure the true wafer temperature.
The theoretical background of each measurement technique is considered along with its capability to be applied in MSA tools as well as its suitability for Industry in terms of time and temperature resolution.

Keywords: Rapid Thermal Annealing; Millisecond Annealing; Flash Lamp; Black Body Radiation; Temperature Measurement; Pyrometer

Publ.-Id: 14227

Leaving the structural ivory tower, assisted by interactive 3D PDF

Kumar, P.; Ziegler, A.; Grahn, A.; Hee, C. S.; Ziegler, A.

The ability to embed interactive three-dimensional (3D) models into electronic publications in portable document format (PDF) greatly enhances the accessibility of molecular structures. Here, we report advances in this procedure and discuss what is needed to develop this format into a truly useful tool for the structural biology community as well as for readers who are less well trained in molecular visualization.

Keywords: molecular visualization; structural biology; interactive graphics

Publ.-Id: 14226

Validation of the RELAP5 code for the modeling of flashing-induced instabilities under natural-circulation conditions using experimental data from the CIRCUS test facility

Kozmenkov, Y.; Rohde, U.; Manera, A.

This paper reports on the use of the RELAP5 code for the simulation of flashing-induced instabilities in natural circulation systems. The RELAP 5 code is intended to be used for the simulation of transient processes in the Russian RUTA reactor concept operating at atmospheric pressure with forced convection of coolant. However, during transient processes, natural circulation with flashing-induced instabilities might occur. The RELAP5 code is validated against measurement data from natural circulation experiments performed within the framework of a European project (NACUSP) on the CIRCUS facility. The facility, built at the Delft University of Technology in The Netherlands, is a water/steam 1:1 height-scaled loop of a typical natural-circulation-cooled BWR. It was shown that the RELAP5 code is able to model all relevant phenomena related to flashing induced instabilities. The magnitude and frequency of the oscillations were reproduced in a good agreement with the measurement data. The close correspondence to the experiments was reached by detailed modeling of all components of the CIRCUS facility including the heat exchanger, the buffer vessel and the steam dome at the top of the facility.

Keywords: Flashing; instabilities; experimental; numerical; low pressure

Publ.-Id: 14225

All optical laser cooling and diagnostics for relativistic ion beams

Bussmann, M.; Kroll, F.; Loeser, M.; Siebold, M.; Schramm, U.; Wen, W.; Winters, D. F.; Walther, T.; Beck, T.; Rein, B.; Birkl, G.; Kruse, J.; Nörtershaeuser, W.; Kühl, T.; Novotny, C.; Kozhuharov, C.; Geppert, C.; Steck, M.; Nolden, F.; Dimopoulou, C.; Ma, X.; Stöhlker, T.

Based on previous results on laser cooling of relativistic c3+ ion beams at the ESR storage ring we present new laser systems and optical diagnostics for laser cooling of relativistic ion beams.
In combination with a new Schottky detection and new beam profile measurement system currently tested at the ESR the new optical diagnostics will help to give new insight into the dynamics of laser cooled ion beams with unprecedented resolution.
With a scanning and a pulsed laser system newly introduced to the experiment we will be able to cool relativistic ion beams without the need of electron precooling. This will be of great importance for the laser cooling experiments at higher energies available at future storage rings.

Keywords: storage ring; laser cooling; ion beam; relativistic energies; scanning laser; pulsed laser; vuv detectors

  • Invited lecture (Conferences)
    SPARC in Lanzhou 7th SPARC Workshop and Collaboration Meeting, 24.-27.08.2010, Lanzhou, China

Publ.-Id: 14222


Knüpfer, A.; Bussmann, M.

Implementation of a modular Particle-in-Cell Algorithm for GPGPU Clusters

Keywords: gpu; gpgpu; graphic card; algorithm; simulation; particle-in-cell; pic; cuda; mpi; parallel; high-performance; computing

  • Lecture (Conference)
    CiHPC Competence in High Performance Computing HPC Status Conference of Gauß-Allianz e.V., 22.-24.06.2010, Schwetzingen, Deutschland

Publ.-Id: 14221

Energy scaling of ultrashort pulse laser accelerated proton beams and first radiobiological applications

Schramm, U.

Talk on ion acceleration experiments at the FZD laser Draco and the first dose controlled irradiation of cell samples.

  • Invited lecture (Conferences)
    14th Advanced Accelerator Concepts Workshop, 13.-19.06.2010, Annapolis, MD, USA, USA

Publ.-Id: 14219

Status of the FZD lab combining 150 TW laser pulses with the sc electron linac ELBE

Schramm, U.

Talk on the status and prospects of the facility.

  • Lecture (Conference)
    14th Advanced Accelerator Concepts Workshop, 13.-19.06.2010, Annapolis, MD, USA, USA

Publ.-Id: 14218

What one learns from reactor pressure vessels of decommissioned nuclear power plants.

Viehrig, H.-W.; Houska, M.; Arora, K. S.; Rindelhardt, U.

Nuclear power plant operators must demonstrate that the structural integrity of a nuclear reactor pressure vessel (RPV) is assured during routine operations and under postulated accident conditions. The aging of the RPV steels is monitored via surveillance programs. Radiation loading, metallurgical and environmental histories, however, can differ between surveillance and RPV materials. Therefore, the investigation of RPV material from decommissioned NPPs offers the unique opportunity to evaluate the real toughness response. Such an opportunity is now available through the investigation of RPV material from the decommissioned Greifswald NPP (WWER-440/V-230).
The Greifswald RPVs of 4 units represent different material conditions as follows:
• Irradiated (Unit 4),
• irradiated and recovery annealed (Units 2 and 3), and
• irradiated, recovery annealed and re-irradiated (Unit1).
The recovery annealing of the RPV was performed at a temperature of 475° for about 152 hours and included a region covering ±0.70 m above and below the core beltline welding seam.
Material samples of a diameter of 119 mm called trepans were extracted from the RPV walls. The research program is focused on the characterisation of the RPV steels (base and weld metal) across the thickness of the RPV wall.
This paper presents test results measured on the trepans of the beltline welding seam and base metal of the above mentioned conditions. The key part of the testing is focussed on the determination of the reference temperature T0 following the ASTM standard E1921-09 to determine the facture toughness, and how it degrades under neutron irradiation and is recovered by thermal annealing. Other than that the mentioned test results include Charpy-V and tensile test results. Following results have been determined:
• The mitigation of the neutron embrittlement of the weld and base metal by recovery annealing could be confirmed.
• KJc values of the weld metals generally follow the course of the MC though with a large scatter.
• There is a large variation in the T0 values evaluated across the thickness of the multilayered welding seams.
• The T0 measured on TS oriented SE(B) specimens from different thickness locations of the welding seams strongly depends on the structure along the crack tip.
• It was demonstrated that T0 evaluated according to the SINTAP MC extension represents the brittle fraction of the data sets.
• A direct correlation between T0 and TT41J of the investigated weld metal is questionable due to the different thickness location of the crack tip and the notch root in pre-cracked SE(B) and the reconstituted Charpy-V specimens, respectively.
• A strong scatter of the fracture toughness KJc values of the recovery annealed base metal of Unit 1 is observed with clearly more than 2% of the values below the fracture toughness curve for 2% fracture probability. The application of the multimodal MC approach describes the temperature dependence of the KJc values in a satisfactory manner.

Keywords: nuclear power plant; reactor pressure vessel; neutron embrittlement; fracture toughness; Master Curce

  • Contribution to proceedings
    International Symposium FONTEVRAUD 7: Contribution of Materials Investigations to Improve the Safety and Performance of LWRs, 26.-30.09.2010, Avignon, France
    Proceedings of the International Symposium FONTEVRAUD 7: French Nuclear Energy Society
  • Lecture (Conference)
    International Symposium FONTEVRAUD 7: Contribution of Materials Investigations to Improve the Safety And Performance of LWRs, 26.-30.09.2010, Avignon, France

Publ.-Id: 14217

Glutathione – an important intracellular chelator of uranium

Viehweger, K.; Geipel, G.; Bernhard, G.

Plants are able to accumulate uranium (U) in roots and shoots /1/. Hence, we could detect an accumulation of this metal inside suspension cells of canola (Bassica napus) via fluorescence microscopy. Such uptake of highly toxic heavy metals requires skilled complex cellular defense mechanisms.
One example is the formation of metal complexes in the cytosol. A prominent candidate might be the tripeptide glutathione (GSH) bearing metal chelating functionalities like carboxylato- and thiol residues. Whereas at pH 5.7 the formed complex was stable over 6 hours, the initial complexes at pH > 6.0 degraded within 30 minutes. A reduction of U(VI) by GSH seems to be possible, because of strong spectral changes contributed by thiolate functionality. However, the spectra of the later formed chelates indicated an involvement of SH-groups in U complexation.
This is necessary for the formation of phytochelatins based on GSH. These metal binding peptides could be detected by HPLC in the cytosol 24 hours after U contact. U was bound to these peptides revealed by gelelectrophoresis of isolated cytoplasmic peptides and subsequent Laser-induced Fluorescence Spectroscopy. Despite these GSH consuming processes during U contact, the cytoplasmic GSH content decreased only slightly but not significantly compared to the control. Artificial depletion of GSH induced an up to twofold increased metabolic activity of cells challenging with U concentrations ≤ 10 µM whereas higher U contents dramatically reduced the metabolism. These data underlines the tight cellular regulation and the importance of GSH in maintaining defense reactions against U.

/1/ K. Viehweger, G. Geipel, Environmental and Experimental Botany 69 (2010) 39–46

  • Contribution to proceedings
    Biometals 2010, 25.-30.07.2010, Tucson, USA

Publ.-Id: 14216

Quercetin – a key substance in heavy metal uptake of plants?

Geipel, G.; Drewitz, S.; Viehweger, K.; Bernhard, G.; Henle, T.

Recently it could be reported, that uranium can occur in its tetravalent oxidation state on the Surface of roots of Arabidopsis halleri /1/. Nevertheless it is very unusual to find uranium in this oxidation state in soil compartments located close to the earth surface, where oxidizing conditions dominate. The oxidation state +6 should be the stable under these conditions.
Flavonoids are widely distributed in plants and have multifunctional properties. They are known for there antioxidant activity Within this class of compounds quercetin is very widespread. Considering that quercetin may be involved in the reduction process we carried out experiments to reduce uranium-(VI) by quercetin. The experiments were carried in under N2-atmosphere to avoid reoxidation of the formed uranium-(IV). Under these in vitro conditions quercetin was able to reduce up to 10% of the uranium. Uranium-(IV) was determined directly by Laser-Induced Photoacoustic Spectroscopy and UV-Vis spectroscopy.
However, this does not explain the existence of uranium-(VI) on the roots. The redox potential of quercetin was measured as function of pH. The shift of the redox potential supports the reduction of uranium with increasing pH /2/. Additionally quercetin can act as complex forming agent. We studied the complex formation of quercetin with uranium-(IV) and uranium-(VI). In both cases a 1:1 complex was found and the stability constants were determined to be log β11 = 20.36 /2/ and log β11 = 13.8 /3/, respectively. This shows a strong stabilization of the uranium-(IV) in its complex with quercetin.
/1/ K. Viehweger, G. Geipel, Environmental and Experimental Botany 69 (2010) 39–46
/2/ S. Drewitz, Diploma thesis, TU Dresden 2010
/3/ K. Viehweger, G. Geipel, In Wissenschaftlich-Technische Berichte FZD-511, Annual Report 2008, (2009) 41.

  • Contribution to proceedings
    Biometals 2010, 25.-30.07.2010, Tucson, USA

Publ.-Id: 14215

Annealing of Silicon Nanopatterns

Fritzsche, M.; Keller, A.; Facsko, S.; Lenz, K.; Fassbender, J.

The morphology of surfaces strongly influences optical, electrical, and magnetic properties of thin films. By changing the morphology it is possible to tailor the material properties. Oblique low energy ion beam sputtering produces periodic ripple structures with periodicities in the nanometer range. During sputtering the region near to the surface gets amorphous and some metal is deposited on the surface, i.e. Cu from the sample holder. These ripple patterns can be used as templates. By using amorphous ripples only polycrystalline films can be grown. These films have an morphology induced dipolar anisotropy. In order to grow the films epitaxially the ripples have to be crystalline. Hence, this could induce an additional anisotropy in a magnetic overlayer. One possible route to achieve crystalline ripples is annealing. Therefore, the annealing temperature dependence was studied using STM. With increasing temperature the ripples vanish. They are not removed by a reduction of the amplitude, but by the creation of circular voids. Inside these voids the surface exhibits few steps and is otherwise flat on an atomic scale. In the middle of the voids Cu clusters are found, which appear at steps. Inside the crystalline area of the voids the Si(111) "quasi 5×5" Cu surface is found. For larger temperatures the number and size of these voids increases until the ripples are removed from the whole surface.

  • Poster
    DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM) 2010, 21.-26.03.2010, Regensburg, Deutschland
  • Poster
    Workshop Ion Beam Physics, 29.-31.03.2010, Dresden, Deutschland

Publ.-Id: 14213

Structural investigations of the grain growth induced by focused-ion-beam irradiation in thin magnetic films

Roshchupkina, O.; Grenzer, J.; Fritzsche, M.; Fassbender, J.

Focused ion beam (FIB) techniques are one way to modify locally the properties of magnetic thin films. In previous works it was demonstrated that focused-ion-beam irradiation causes a considerable grain growth in magnetic thin films under certain conditions and therefore a change of their magnetic properties [1]. Although the grain growth can be already qualified by simple REM images a crystallographic tool is needed for a qualitative analysis. We used the advantage of nondestructive X-ray diffraction to study the grain growth.
A magnetic thin film of 50nm thick permalloy film (Fe0.2Ni0.8) sputtered on Si was used for the investigations. We have analyzed two simple parameters such as the grain size and the microstrain depending on the ion dose and beam current. Due to the very small structures created by focused-ion-beam techniques (usually less then 0.4x0.4mm2 size) an optimized X-ray laboratory setup with a focused X-ray beam of 200µm was used.
[1] C.M. Park and J.A. Bain, J. Appl. Phys. 91, 6830(2002).

  • Lecture (Conference)
    DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM), 21.-26.03.2010, Regensburg, Deutschland

Publ.-Id: 14212

PIXE-RBS survey of a Meissen Porcelain snuff box: First version or not?

Neelmeijer, C.; Roscher, R.

This 18th century object with delicate on-glaze decorations let arise doubts regarding its complete originality. Comparing both base body and cover, the shades of porcelain glazing differ visually. Moreover, the painting shows slight differences in color and flow. Simultaneous PIXE and RBS (Rutherford Backscattering Spectrometry) using the 4-MeV proton beam in air [1] proved ideal to get convincing answers. The maximum proton beam intensity was only 200 pA for 30 s acquisition time in order to ensure non-destructive analysis of the very sensitive material.
For the green colorant of leaves of trees, painted on both bottom and cover, the artist used copper green pigment [2]. For painting the bottom of the base body Cu was the starting material; brass was certainly applied for the cover as deduced from additional Zn lines displayed by PIXE. In the latter case the green pigment was obviously brightened by the addition of Co. Pink decoration of the cover could be identified as made from purple due to small Au-L lines. They were not visible analysing the pink skirt, painted on the bottom, because of superimposed intense Pb-L lines originating from the glazing. Comparatively, the X-ray spectrum obtained from pure glazing of the cover shows much lower Pb-L intensity. RBS was helpful for getting information on the depth distributions of Pb regarding the different types of glazing. This is illustrated in the graphs below. Whereas the bottom of the porcelain box comprises thick and lead containing glazing, the RBS spectrum taken from glazing of the cover makes clear that only little Pb exists, which is localized at the glazing surface. This can be attributed to a surface polishing process carried out in the past.

References: [1] C. Neelmeijer and M. Mäder, Nucl. Instr. Meth. B 189, 293 (2002).
[2] M. Mields, Keramische Zeitschrift 8, 453 (1963).

Keywords: Analysis; non-destructive; ion beam; PIXE; RBS; porcelain; on-glaze decoration

  • Lecture (Conference)
    12th International Conference on Particle Induced X-Ray Emission and its Analytical Applications, 27.06.-02.07.2010, Guildford, UK
  • X-Ray Spectrometry 41(2012)2, 93-97
    DOI: 10.1002/xrs.2371

Publ.-Id: 14211

Sorption of uranium(VI) onto Opalinus Clay in the absence and presence of humic acid in Opalinus Clay pore water

Joseph, C.; Schmeide, K.; Sachs, S.; Brendler, V.; Geipel, G.; Bernhard, G.

The U(VI) sorption onto Opalinus Clay (OPA), a natural clay rock from Mont Terri, Switzerland, was investigated in the absence and presence of humic acid under aerobic conditions using synthetic OPA pore water (I = 0.34 M, pH 7.6) as background electrolyte. The results show that the U(VI) sorption onto OPA is low and not influenced by humic acid. This can be attributed to the dissolution of calcite, a mineral constituent of the clay. The resulting calcium ions (up to 25 mM) in the pore water influence both the U(VI) speciation and the speciation of humic acid. In OPA pore water the U(VI) speciation is dominated by the neutral complex Ca2UO2(CO3)3(aq) both in the absence and presence of humic acid. Its predominance was verified by time-resolved laser-induced fluorescence spectroscopy (TRLFS). Speciation estimations for humic acid show that calcium ions saturate the humic acid binding sites almost completely. Thus, only few humic acid binding sites are available for U(VI) complexation at pH 7.6. For the sorption of U(VI) and humic acid onto OPA distribution coefficients, Kd, were determined and amount to (0.0222 ± 0.0004) m3/kg and (0.129 ± 0.006) m3/kg, respectively. In conclusion, calcium ions determine the interaction processes of U(VI) and humic acid in the OPA system.

Keywords: uranium(VI); humic acid; sorption; speciation; Opalinus Clay; calcium; Ca2UO2(CO3)3(aq); TRLFS

Publ.-Id: 14210

Identification of the uranium speciation in an underground acid mine drainage environment analysed by laser fluorescence spectroscopy

Arnold, T.; Baumann, N.; Krawczyk-Bärsch, E.; Brockmann, S.; Zimmermann, U.; Jenk, U.; Weiß, S.; Wobus, A.; Zirnstein, I.

The subsurface acid mine drainage (AMD) environment of an abandoned underground uranium mine in Königstein/Saxony/Germany, currently in the process of remediation, is characterized by low pH, high sulfate concentrations and elevated concentrations of heavy metals, in particular uranium. Acid streamers thrive in the mine drainage channels and are heavily coated with iron precipitates identified as schwertmannite and jarosite. These precipitates are biomineralisations and related to the presence of Fe-oxidizing microorganisms. Such precipitates were also observed in stalactite-like dripstone, called snottites, growing on the gallery ceilings. The bacterial diversity was identified on basis of analysed 16S rDNA sequences and revealed that the beta-proteobacterium Ferrovum myxofaciens dominates. Colloidal uranium, neither as U(IV)- or as U(VI) eigencolloids nor uranium adsorbed on colloids was detected as photon correlation spectroscopy analyses and centrifugation experiments of drainage water and snottite water at different centrifugal accelerations between 500 g and 46000 g showed.
The uranium speciation in the underground AMD waters flowing in mine galleries as well as dripping from the ceiling and forming stalactite-like dripstones were studied by time resolved laser-induced fluorescence spectroscopy (TRLFS). The fluorescence lifetime of both waters were best described with a mono-exponential decay, indicating the presence of one species only. The detected positions of the emission bands and by comparing it in a fingerprinting procedure with spectra obtained for acid sulfate reference solutions, in particular Fe - SO42- - UO22+ reference solutions, indicated that the uranium speciation in the AMD environment of Königstein is dominated in the pH range of 2.5 to 3.0 by the highly mobile aquatic uranium sulfate species UO2SO4(aq) and formation of uranium precipitates is rather unlikely as is retardation by sorption processes. The presence of iron in the AMD reduces the fluorescence lifetime of the UO2SO4(aq) species from 4.3 µs found in iron-free uranium sulfate reference solutions to 0.7 µs in both AMD waters of Königstein and in iron containing uranium sulfate reference solutions, respectively. Thermodynamic calculations indicated the presence of two additional uranium species, i.e. UO2(SO4)2- and UO22+ in AMD of Königstein, however TRLFS provided no spectroscopic evidence for their existence.
TRLFS was directly applied to complex solutions of acid mine drainage (AMD) environments intimately associated with microbiology and Fe-precipitates and shows that it is a suitable spectroscopic technique to identify the uranium speciation in natural solutions containing a multitude of different complexing agents.

Keywords: uranium speciation; time resolved laser-induced fluorescence spectroscopy; TRLFS; uranium mobility; acid mine drainage

  • Geochimica et Cosmochimica Acta 75(2011), 2200-2212

Publ.-Id: 14209

Atomistic study of copper-vacancy clusters in bcc-Fe

Posselt, M.; Al-Motasem, A.; Bergner, F.; Birkenheuer, U.

Copper-rich precipitates are assumed to be the main cause of hardening and embrittlement of Cu-bearing reactor pressure vessel steels since they act as obstacles to dislocation motion within the grains of polycrystalline bcc-Fe. Multiscale modeling contributes to a better understanding of point-defect-induced formation of these clusters during reactor operation. Rate theory is an efficient tool to simulate the cluster evolution on realistic time and length scales. However, many parameters used in rate theory, such as the diffusion coefficients of mobile species and the free binding energies of clusters, are not very well known from experimental investigations. Atomic-level computer simulations can provide these data.
In the present work the free binding energies are determined for small and medium-sized CunVm clusters in bcc-Fe. The most recent Fe-Cu interatomic potential by Pasianot and Malerba [1] is used. Enthalpy and entropy contributions are calculated using combinations of on-lattice Monte Carlo simulations and off-lattice molecular dynamics calculations.
[1] R. C. Pasianot and L. Malerba, J. Nucl. Mater. 360, 118 (2007).

Keywords: atomistic simulation; iron; copper; vacancies; clusters; precipitates

  • Lecture (Conference)
    5th Forum on New Materials, 14.-18.06.2010, Montecatini Terme, Italy

Publ.-Id: 14208

Structural phase transition in boron compounds at high pressure

Talati, M.; Jha, P. K.

The high-pressure induced structural phase transitions and pressure induced elastic and anharmonic behavior of boron compounds viz. BN, BP, and BAs have been investigated using an inter-ionic potential approach based on charge transfer effect. These compounds go to NaCl phase (B1) under pressure from zinc blende phase (B3). The variations of second-order elastic constants and their combinations follow a systematic trend with pressure, identical to that observed in other compounds of zinc blende structure family. Shear stiffness constants decrease with increasing pressure up to phase transition pressure. The bulk moduli of these compounds are in reasonably good agreement with other theoretical and experimental data. The values of phase transition pressure of these compounds obtained by using the present approach are also in good agreement with those predicted by using the pseudo potential approach. The present approach has also succeeded in predicting the Born and relative st!
ability criterion for stable zinc blende phase of these compounds. We also present a set of third-order elastic constants and pressure derivatives of second-order elastic constants for boron compounds.

Keywords: Phase transition; pressure; anharmonic properties


Publ.-Id: 14207

Interface polarization coupling in piezoelectric-semiconductor ferroelectric heterostructures

Voora, V.; Hofmann, T.; Brandt, M.; Lorenz, M.; Grundmann, M.; Ashkenov, N.; Schmidt, H.; Ianno, N.; Schubert, M.

Abstract: We present a dielectric continuum model approach for studying the electrical polarization properties of interface polarization coupled BaTiO3, BaTiO3-ZnO, and ZnO-BaTiO3-ZnO thin-film structures consisting of several hundred nanometer thick layers. Our model augments the effects of electric field driven switchable polarization and depletion layer formation with spontaneous interface polarization coupling. Wurtzite-structure (piezoelectric) n-type ZnO and perovskite-structure (ferroelectric) highly insulating BaTiO3 layers were prepared and investigated. The coupling between the nonswitchable spontaneous polarization of ZnO and the electrically switchable spontaneous polarization of BaTiO3 causes strong asymmetric polarization hysteresis behavior. The n-type ZnO reveals hysteresis-dependent capacitance variations upon formation of depletion layers at the ZnO/BTO interfaces. We obtain a very good agreement between our model generated data and our experiment. Our model approach allows for derivation of the amount and orientation of the spontaneous polarization of the piezoelectric constituents and can be generalized toward multiple-layer piezoelectric-semiconductor ferroelectric heterostructures. We identify interface polarization coupled triple-layer ZnO-BTO-ZnO heterostructures as two-terminal unipolar ferroelectric Bi-junction transistor for use in memory storage.


Publ.-Id: 14206

Mechanism of electrical properties degradation of ZnO:Al films during growth at elevated temperatures

Vinnichenko, M.; Gago, R.; Cornelius, S.; Rogozin, A.; Shevchenko, N.; Kolitsch, A.; Möller, W.

Resistivity of ZnO:Al (AZO) films is known to increase significantly during annealing or growth at temperatures higher than certain optimum value that is a problem during preparation of thin film solar cells. To understand this process, AZO films with different Al concentrations grown by reactive pulsed magnetron sputtering were studied. The electrical resistivity of the films shows a minimum at an optimum substrate temperature, which shifts from 400 °C to 200 °C with increasing Zn/O flux ratio. At higher temperatures, resistivity increases due to simultaneous decrease of the free electron density and mobility. It is accompanied by a significant deterioration of the film crystallinity, increase of Al concentration and drop of the growth rate. X-ray absorption near edge structures (XANES) excludes formation of aluminum oxides in this case. It shows formation of homologous phase (ZnO)3(Al2O3) whose formation is triggered by an increase of the Al/Zn ratio in the film. Therefore, at growth temperatures above the optimum value Al preferentially forms this phase instead of occupying Zn site in the lattice.

Keywords: Al-doped ZnO; transparent conductive oxides; homologous metastable phase; (ZnO)3(Al2O3)

  • Lecture (Conference)
    5th Forum on New Materials (in the framework of 12th International Conference on Modern Materials and Technologies - CIMTEC 2010), 13.-18.06.2010, Montecatini Terme, Italy

Publ.-Id: 14205

Biosensing for the Environment and Defence: Aqueous Uranyl Detection Using Bacterial Surface Layer Proteins

Conroy, D. J. R.; Millner, P. A.; Stewart, D. I.; Pollmann, K.

The fabrication of novel uranyl (UO2 2+) binding protein based sensors is reported. The new biosensor responds to picomolar levels of aqueous uranyl ions within minutes using Lysinibacillus sphaericus JG-A12 S-layer protein tethered to gold electrodes. In comparison to traditional self assembled monolayer based biosensors the porous bioconjugated layer gave greater stability, longer electrode life span and a denser protein layer. Biosensors responded specifically to UO2 2+ ions and showed minor interference from Ni2+, Cs+, Cd2+ and Co2+. Chemical modification of JG-A12 protein phosphate and carboxyl groups prevented UO2 2+ binding, showing that both moieties are involved in the recognition to UO2 2+.

Keywords: S-layer; surface layer; protein biosensor; uranium; uranyl; metal ion; sequestering; impedance spectroscopy

Publ.-Id: 14204

Effect of secondary phase formation on electrical and optical properties of Al-doped ZnO

Vinnichenko, M.; Cornelius, S.; Gago, R.; Krause, M.; Shevchenko, N.; Rogozin, A.; Munnik, F.; Kolitsch, A.; Möller, W.

It has been shown that increasing substrate temperature above its optimum value leads to an increase of Al concentration in the AZO films, which exceeds the solubility limit and triggers the formation of an insulating metastable homologous (ZnO)3Al2O3 phase. The formation of (ZnO)3Al2O3 is established for the AZO films grown in a given range of deposition conditions, while the films grown at substantially different conditions may show formation of other secondary phases (e.g. aluminium oxide or spinel). This (ZnO)3Al2O3 impedes crystal growth and causes a significant increase of free electron scattering. In turn, it leads to an increase of electrical resistivity of the films. This phase has been observed by XANES even in the films with the lowest Al concentration and the best crystallinity. Increase of this phase volume fraction with increasing Al concentration correlates with observed changes in the film Raman and optical constants spectra.

Keywords: Al-doped ZnO; homologous metastable phase; (ZnO)3Al2O3

  • Lecture (Conference)
    EFDS-Workshop „Transparente leitfähige Oxide - Festkörperphysikalische Grundlagen und Technologie“, 01.-02.06.2010, Dresden, Germany

Publ.-Id: 14203

Capabilities and limitations of spectroscopic ellipsometry for characterization of functional thin films

Vinnichenko, M.

An overview of different configurations of spectroscopic ellipsometers was given. The approaches for data acquisition and analysis in case of high refractive index materials and transparent conductive oxides were discussed.

  • Lecture (others)
    Invited lecture during visit to "Next Energy" EWE-Forschungszentrum für Energietechnologie e.V., 10.-11.02.2010, Oldenburg, Germany

Publ.-Id: 14202

Properties, structure and phase composition of transparent conductive oxide thin films grown by magnetron sputtering

Vinnichenko, M.; Cornelius, S.; Rogozin, A.; Shevchenko, N.; Gago, R.; Kolitsch, A.; Möller, W.

Understanding of the mechanisms of donor impurity incorporation, its electrical activation and charge carrier transport in transparent conducting oxides (TCO) is required for further improvement of functionality of this class of materials. The present work focuses on investigation of indium oxide (IO), Sn-doped indium oxide (ITO), ZnO, and ZnO:Al (AZO) films grown by reactive pulsed magnetron sputtering (RPMS) with a precise control of the oxygen partial pressure at substrate temperatures, Ts, ranging from RT to 550°C. In order to explore potential advantages of RPMS, the relationship between the deposition parameters and structure, phase composition and physical properties of these TCOs was investigated. The films were characterized by spectroscopic ellipsometry, Hall effect measurements, X-ray diffraction (XRD) and, in case of ZnO and AZO films, by X-ray absorption near edge structures (XANES). The Sn concentration in ITO was determined by Auger analysis, while the Al concentration in ZnO matrix was estimated by elastic recoil detection analysis and Rutherford back scattering.
The comparison of the real-time behavior of the IO and ITO film structure and electrical properties during annealing provides a direct evidence of Sn donor activation (with an estimated efficiency of 40%) in ITO due to amorphous-to-crystalline transition. The ITO film crystallinity always improves with increasing substrate temperature or during isothermal annealing, with the electrical resistivity decreasing. In contrast, the electrical resistivity of AZO films shows a clear minimum at an optimum substrate temperature (200-400 °C), which depends on metal/oxygen flux ratio and correlates with a maximum in crystallinity (grain size). In this case, the highest mobility value of 46 cm2 V-1 s-1 is comparable to the best values achieved in AZO films grown by less cost-efficient techniques. This value is achieved at the free electron density of 6x1020 cm-3 which corresponds to maximum ~30% electrical activation of Al impurity. At higher temperatures, the AZO electrical properties and crystalline quality deteriorate abruptly according to the following mechanism. Increasing Ts above its optimum value leads to a higher Al concentration in the AZO films, which exceeds the solubility limit and triggers the formation of an insulating metastable homologous (ZnO)3Al2O3 phase. This phase impedes crystal growth and causes a significant increase of free electron scattering both at grain boundaries and inclusions of this phase. In order to enable the growth of low-resistivity AZO films in a wider range of TS, lower metal/oxygen flux ratios should be used. The proposed approach to minimizing the influence of this undesirable phase may also be applied to other deposition methods of AZO involving high-energy particle bombardment.

Keywords: Al-doped ZnO; transparent conductive oxides; electrical properties; optical properties; phase composition

  • Lecture (others)
    Invited talk during visit to "Next Energy" EWE-Forschungszentrum für Energietechnologie e.V., 10.-11.02.2010, Oldenburg, Germany

Publ.-Id: 14201

RBS\channeling and TEM study of damage buildup in ion bombarded GaN

Pagowska, K.; Ratajczak, R.; Stonert, A.; Turos, A.; Nowicki, L.; Sathish, N.; Jozwik, P.; Muecklich, A.

A systematic study on structural defect buildup in 320 keV Ar-ion bombarded GaN epitaxial layers has been reported, by varying ion fluences ranged from 5x1012 to 1x1017 at/cm2. 1μm thick GaN epitaxial layers were grown on sapphire substrates using the MOVPE technique. RBS\channeling with 1.7 MeV 4He beam was applied for analysis. As a complementary method High Resolution Transmission Electron Microscopy (HRTEM) has been used. The later has revealed the presence of extended defects like dislocations, faulted loops and stacking faults. New version of the Monte Carlo simulation code McChasy has been developed that makes it possible to analyze such defects on the basis of the Bent Channel (BC) model. Damage accumulation curves for two distinct types of defects, i.e. Randomly Displaced Atoms (RDA) and extended defects (i.e BC) have been determined. They were evaluated in the frame of the MultiStep Damage Accumulation (MSDA) model, allowing numerical parameterization of defect transformations occurring upon ion bombardment. Displaced atoms buildup is a three step process for GaN and whereas extended defect buildup is always a two step process.

Keywords: GaN; ion bombardment; ion channeling; TEM; defect transformations

  • Lecture (Conference)
    VIII-th International Conference Ion Implantation and Other Applications of Ions and Electrons, 14.-17.06.2010, Kazimierz Dolny, Poland

Publ.-Id: 14200

Bildgebende Messverfahren und CFD-Simulation für die Energieverfahrenstechnik

Hampel, U.; Lucas, D.; Vallée, C.; Höhne, T.; Beyer, M.; Fischer, F.; Weiß, F.-P.

In diesem Beitrag werden ausgewählte tomographische Bildgebungsverfahren vorgestellt, die in den zurückliegenden Jahren am Forschungszentrum Dresden-Rossendorf für die Untersuchung von Mehrphasenströmungen entwickelt wurden. Neben einer Beschreibung der Messverfahren wird ihre Anwendung in der experimentellen Thermofluiddynamik und ihr Bezug zur Entwicklung und Validierung von CFD-Modellen für Zweiphasenströmungen diskutiert.

Keywords: multiphase flow; flow imaging techniques; CFD simulation

  • Contribution to external collection
    M. Beckmann, A. Hurtado: Kraftwerkstechnik - Sichere und nachhaltige Energieversorgung - Band 2,, Neuruppin: TK Verlag Karl Thomé-Kozmienski, 2010, 978-3-935317-57-3, 769-786
  • Lecture (Conference)
    42. Kraftwerkstechnisches Kolloquium, 12.-13.10.2010, Dresden, Germany

Publ.-Id: 14199

Synthesis of neurotensin(8-13)-phosphopeptide heterodimers via click chemistry

Richter, S.; Ramenda, T.; Bergmann, R.; Knieß, T.; Steinbach, J.; Pietzsch, J.; Wuest, F.

Two neurotensin(8-13)-containing peptide heterodimers were prepared via copper(I)-mediated click chemistry. The resulting peptide dimers could be obtained in 28-31% yield after HPLC purification. Neurotensin( 8-13)-containing peptide dimers were used in an in vitro binding assay to determine binding affinity towards the neurotensin receptor-1 (NTR1). The determined IC50 values of 8.3 µM and 0.7 µM indicate only very low binding affinity of the neurotensin(8-13)-containing peptide heterodimers towards the NTR1.

Keywords: Click chemistry; Neurotensin receptor; Phosphopeptide; Peptide heterodimer

Publ.-Id: 14198

Ferromagnetic resonance on metal nanocrystals in Fe and Ni implanted ZnO

Ankiewicz, A. O.; Martins, J. S.; Carmo, M. C.; Grundmann, M.; Zhou, S.; Schmidt, H.; Sobolev, N. A.

We studied the angular dependence of the ferromagnetic resonance (FMR) spectra of (0001)ZnO single crystals implanted with Ni and Fe ions and compared the results to the data obtained by other experimental techniques, especially, x-ray diffraction (XRD) and superconducting quantum interference device magnetometry. The FMR revealed the formation of metal nanocrystals (NCs) embedded in the ZnO lattice in an oriented way. Whereas in the case of Ni, the conclusions drawn from the FMR studies corroborated the XRD and magnetometry results with respect to the alignment of the NCs in the host lattice, in the case of the Fe NCs, the FMR clearly shows that the hard magnetization axis (which is < 111 > in bcc Fe) is oriented perpendicular to the sample surface (parallel to the [0001]ZnO axis), at variance with the former XRD observations.

Keywords: ferromagnetic resonance; II-VI semiconductors; ion implantation; iron; magnetisation; nanostructured materials; nickel; X-ray diffraction; zinc compounds

Publ.-Id: 14196

Encapsulation of Fluorescent Cluster Complexes into Dendritic Nanocontainer

Kuhlmann, M.

kein Abstract verfügbar

  • Lecture (Conference)
    7th Supraphone Meeting, 28.04.-01.05.2010, Maria Laach, D

Publ.-Id: 14195

Personen- und Produktschutz bei der Herstellung von PET Radiopharmaka

Füchtner, F.

kein Abstract verfügbar

  • Invited lecture (Conferences)
    2. NZW Dresden - Onkologisch-Pharmazeutischer Fachkongress, 18.-19.06.2010, Dresden, D

Publ.-Id: 14194

Water repartitioning at the water lipid protein interface controls receptor activation in G-Protein coupled receptors

Eichler, S.; Fahmy, K.

G-Protein coupled receptors (GPCRs) play a fundamental role in many physiological processes. High ligand specifity of rhodopsin-like GPCRs in contrast to the highly conserved and class defining D(E)RY motif undergoing a protonation upon receptor activation suggests a general local activation mechanism acting as an autonomous functional module.
It has been shown that the D(E)RY motif positioned at the phase boundary acts as a pH-dependent switch which is governed by side chain partitioning between the aqueous and lipidic phase [1].
Here we have addressed the putative reverse effect, i.e. restructuring of the water lipid interface upon side chain protonation to elucidate the functional implication of water lipid protein interactions in the control of protein conformation. We have studied a TM3 derived transmembrane segment where a fluorescence reporter resides below the D(E)RY motif inside the helix. By fluorescence spectroscopy, FRET studies and FTIR-Fluorescence cross correlation experiments we show the pH dependent hydration site N-terminally of the D(E)RY motif. Thus the ionized D(E) side chain attracts water that dissolves the TM-sequence even beyond the two preceding hydrophobic residues.
These results argue for a key role of the rearrangement of the water lipid protein microstructure upon GPCR activation as it effects not only the phase boundary but even more hydrophobic environment inside the lipidic phase.
[1] S. Madathil, K.Fahmy, J Biol Chem 284, 28801-28809 (2009)

Keywords: membrane transport; protonation; FTIR spectroscopy; fluorescence spectroscopy; FRET; charge stabilization; bilayer; water reorganization

  • Lecture (Conference)
    Annual Meeting of the German Biophysical Society, 03.-06.10.2010, Bochum, Deutschland

Publ.-Id: 14193

Experiments and numerical simulations of horizontal two phase flow regimes using an interfacial area density model

Höhne, T.; Vallée, C.

Stratified two-phase flow regimes can occur in the main cooling lines of Pressurized Water Reactors, Chemical plants and Oil pipelines. A relevant problem occurring is the development of wavy stratified flows which can lead to slug generation. In the last decade, the stratified flows are increasingly modelled with computational fluid dynamics (CFD) codes. In CFD, closure models are required that must be validated. The recent improvements of the multiphase flow modelling in the ANSYS CFX code make it now possible to simulate these mechanisms in detail. In order to validate existing and further developed multiphase flow models, high-resolution measurement data is needed in time and also in space. For the experimental investigation of co-current air/water flows, the HAWAC (Horizontal Air/Water Channel) was built. The channel allows in particular the study of air/water slug flow under atmospheric pressure. Parallel to the experiments, CFD calculations were carried out. The two-fluid model was applied with a special turbulence damping procedure at the free surface. An Algebraic Interfacial Area Density (AIAD) model on the basis of the implemented mixture model was introduced, which allows the detection of the morphological form of the two phase flow and the corresponding switching via a blending function of each correlation from one object pair to another. As a result this model can distinguish between bubbles, droplets and the free surface using the local liquid phase volume fraction value. The behaviour of slug generation and propagation was qualitatively reproduced by the simulation, while local deviations require a continuation of the work. The creation of small instabilities due to pressure surge or an increase of interfacial momentum should be analysed in the future. Furthermore, experiments with pressure and velocity measurements are planned and will allow quantitative comparisons at other superficial velocities.

Keywords: CFD; AIAD; multiphase flow

  • The Journal of Computational Multiphase Flows 2(2010)3, 131-143

Publ.-Id: 14192

Blending magnetic properties - hybrid magnetic thin films

McCord, J.

The control of the effective magnetic anisotropy, saturation magnetization, as well as the dynamic magnetic properties in ferromagnetic thin films is of significant importance for most applications in spin electronics. Usually the magnetic anisotropy, e.g. uniaxial anisotropy or unidirectional anisotropy, in ferromagnetic single or multi-layers is initialized by applying a magnetic field during film deposition or by a magnetic field anneal, which results in an anisotropy aligned along the applied field direction. The saturation magnetization is mainly determined by the film's composition. Whereas anisotropy and saturation magnetization together determine the precessional frequency of the films, the magnetic damping parameter cannot easily be varied in a controlled way.
Here we give a summary on different ways to pattern magnetic films in terms of laterally varying magnetic properties and not by shape patterning [1]. Different samples of anisotropy [1,2], exchange bias [1,3], and saturation magnetization [4] modulated thin films are prepared by local oxidation, introducing local stress variation [5], and local ion irradiation or implantation. The magnetization reversal processes in the two-phase materials exhibit unique features, some of them so far only known from multilayer samples. The main emphasis of the investigations is on the role of magnetic domain formation and domain wall effects in stripe-like magnetic hybrid structures on the overall static and dynamic magnetic properties.
The presented paths of film preparation provide an additional degree of freedom for the tailoring of magnetic properties and functionality of soft-magnetic thin films.

  • Invited lecture (Conferences)
    Colloquium of the "Sonderforschungsbereich 855" - Magnetoelektrische Verbundwerkstoffe - biomagnetische Schnittstellen der Zukunft, 01.07.2010, Kiel, Deutschland

Publ.-Id: 14191

Effects of lateral fluid percussion injury on cholinergic markers in the newborn piglet brain

Donat, C. K.; Walter, B.; Kayser, T.; Deuther-Conrad, W.; Schliebs, R.; Nieber, K.; Bauer, R.; Haertig, W.; Brust, P.

Traumatic brain injury is a leading cause of death and disability in children. Studies using adult animal models showed alterations of the central cholinergic neurotransmission as a result of trauma. However, there is a lack of knowledge about consequences of brain trauma on cholinergic function in the immature brain. It is hypothesized that trauma affects the relative acetylcholine esterase activity and causes a loss of cholinergic neurons in the immature brain. Severe fluid percussion trauma (FP-TBI, 3.8 0.3 atm) was induced in 15 female newborn piglets, monitored for 6 h and compared with 12 control animals. The hemispheres ipsilateral to FP-TBI obtained from seven piglets were used for acetylcholine esterase istochemistry on frozen sagittal slices, while regional cerebral blood flow and oxygen availability was determined in the remaining eight FP-TBI animals. Post-fixed slices were immunohistochemically labelled for choline acetyltransferase as well as for lowaffinity neurotrophin receptor in order to characterize cholinergic neurons in the basal forebrain. Regional cerebral blood flow and brain oxygen availability were reduced during the first 2 h after FPTBI (P < 0.05). In addition, acetylcholine esterase activity was significantly increased in the neocortex, basal forebrain, hypothalamus and medulla after trauma (P < 0.05), whereas the number of choline acetyltransferase and low-affinity neurotrophin receptor positive cells in the basal forebrain were unaffected by the injury. Thus, traumatic brain injury evoked an increased relative activity of the acetylcholine esterase in the immature brain early after injury, without loss of cholinergic neurons in the basal forebrain. These changes may contribute to developmental impairments after immature traumatic brain injury.

Keywords: Traumatic brain injury; Immature brain; Cholinergic system; Acetylcholine esterase

Publ.-Id: 14190

Alterations of cholinergic receptors and the vesicular acetylcholine transporter after lateral fluid percussion injury in newborn piglets

Donat, C. K.; Walter, B.; Deuther-Conrad, W.; Nieber, K.; Brust, R.; Bauer, P.

Aims: Traumatic brain injury (TBI) is one of the leading causes of death and disability in children. Adult animal models of TBI showed cholinergic alterations. However, there is no comparable data on immature animals. Therefore, this study investigates cholinergic markers in a large animal model of juvenile TBI. Methods: Twenty-seven female newborn piglets were subjected to lateral fluid percussion (FP) injury and compared with 12 untreated animals. After 6 h, animals were sacrificed and the brains removed.The hemispheres ipsilateral to FP-TBI from seven piglets and corresponding hemispheres from six control animals were used for autoradiography. Receptor density was determined with [3H]epibatidine (nicotinic acetylcholine receptors) or [3H]QNB (muscarinic acetylcholine receptors). The density of the vesicular acetylcholine transporter (vAChT) was assessed with (-)-[3H]vesamicol. Cerebral blood flow was measured by coloured microsphere method. Results: Cerebral blood flow and brain oxygen delivery were transiently reduced early after FP-TBI (P < 0.05). TBI caused reductions of muscarinic acetylcholine receptor density (fmol/mg) in the basal forebrain (sham: 10797 1339, TBI: 8791 1031), while nicotinic acetylcholine receptor remained stable. Significant increases in vAChT density (fmol/mg) were observed in the basal forebrain (sham: 2347 171, TBI: 2884 544), putamen (sham: 2276 181, TBI: 2961 386), cortex (sham: 1928 262, TBI: 2377 294), thalamic areas (sham: 2133 272, TBI: 2659 413), hippocampus (sham: 2712 145, TBI: 3391 501) and hypothalamus (sham: 2659 139, TBI: 3084 304). Conclusions: Cholinergic markers are altered after mildto- moderate TBI in the immature brain.Whereas the ACh receptors are stable in almost any brain region after TBI, vAChT expression increases after trauma at the employed severity of this specific trauma model.

Keywords: muscarinic; newborn pig; nicotinic; receptor; traumatic brain injury; vesicular transporter

Publ.-Id: 14189

Neue fluoreszenzspektroskopische Untersuchungen zur Huminstoff-Komplexbildung konkurrierender Metalle und aktuelle Ergebnisse von Transportstudien mittels PET

Lippold, H.; Kulenkampff, J.; Gründig, M.; Eidner, S.; Kumke, M.

Für die Veranstaltung wurden keine Abstracts eingereicht.

Vorgestellt wurden TRLFS-Studien mittels Eu(III) an Systemen aus Huminstoff und Al(III) verschiedenen Alters. Innerhalb des untersuchten Zeitraums von ca. 2 Tagen wurde eine Zunahme im Konkurrenzeffekt von Al(III) bezüglich der Huminstoff-Komplexbildung anderer Metalle festgestellt. Ziel der spektroskopischen Messungen war ein Nachweis struktureller Veränderungen am Huminstoff, die den beobachteten Effekt erklären. Zwar konnte gezeigt werden, dass durch die Komplexbildung von Al(III) erhebliche Veränderungen in der Mikroumgebung des Sondenmetalls Eu(III) induziert werden. Diese entsprachen jedoch nicht dem zeitlichen Trend im Konkurrenzeffekt. Aus Spektrenanalysen ging hervor, dass ein solcher Trend bei der relativ hohen Konzentration des Sondenmetalls gar nicht auftritt.
Gezeigt wurden auch erste PET-Untersuchungen zum diffusiven Transport in einem Opalinuston-Bohrkern. Mit Hilfe verbesserter Korrekturverfahren und neuer Visualisierungstechniken konnte die Methodik erheblich voran gebracht werden. Bereits nach einer Versuchsdauer von 2 Wochen konnte ein Diffusionskoeffizient abgeschätzt werden, der in Übereinstimmung mit Literaturdaten stand. Die Erfassung räumlicher Inhomogenitäten im Ausbreitungsverhalten erfordert jedoch längere Messzeiten und einen modifizierten Versuchsaufbau, welcher ebenfalls vorgestellt wurde.

  • Lecture (others)
    8. Workshop zum Verbundvorhaben "Wechselwirkung und Transport von Actiniden im natürlichen Tongestein unter Berücksichtigung von Huminstoffen und Tonorganika", 13.-14.04.2010, Dresden-Rossendorf, Deutschland

Publ.-Id: 14188

Novel Indole Derivatives as Potential Imaging Agents for Alzheimer’s Disease

Yu, L.; Scheunemann, M.; Deuther-Conrad, W.; Hiller, A.; Fischer, S.; Sorger, D.; Sabri, O.; Jia, H.; Steinbach, J.; Brust, P.; Liu, B.

kein Abstract verfügbar

Keywords: β-Amyloid; Indole; Positron emission tomography; Senile plaques

Publ.-Id: 14187

On the action of magnetic gradient forces in micro-structured copper deposition

Mutschke, G.; Tschulik, K.; Weier, T.; Uhlemann, M.; Bund, A.; Fröhlich, J.

In order to shed more light on the role of magnetic gradient forces and Lorentz forces on the deposition pattern found recently at copper electrodes, experiments and numerical simulations have been performed in a generic geometry that consists of a single small cylindrical permanent magnet which is placed behind the cathode. The cylinder axis coincides with the magnetization direction and points normal to the electrode surface. The electrode is oriented vertically which allows a separate discussion of the influence of both forces.

Experiments and numerical simulations are found to give very good agreement with respect to the deposition pattern. Our analysis clearly shows that the major influence is due to the action of the magnetic gradient force. Numerical simulations prove that the separate action of the Lorentz force does not reproduce the deposition structure. A detailed analytical discussion of the motion forced by the different magnetic forces in superposition with natural convection is given.

Keywords: Lorentz force; field gradient force; magnetoelectrochemistry

Publ.-Id: 14186

Tomographische Radiotraceruntersuchungen zu Transportprozessen im Salinar und seinem Deckgestein in Staßfurt Tomographic Investigations of Transport Processes with Radiotracers in Evaporitic Rock and its Hanging Wall in Staßfurt

Kulenkampff, J.; Wolf, M.; Gründig, M.; Mittmann, H.; Richter, M.

Positronen-Emissions-Tomographie (PET) wurde als Methode zur Untersuchung von Transportvorgängen in Bohrkernen aus dem Salinargestein und seinem Deckgebirge in Staßfurt eingesetzt. Die Ergebnisse dienen der Verbesserung des Verständnisses der hydraulischen und chemischen Prozesse im heterogenen, teils dichten Material. Es kann anhand von Beispielen gezeigt werden, dass diese Prozesse sich nicht allgemein durch einfache Modelle beschreiben lassen.

  • Exkursionsführer und Veröffentlichungen der Deutschen Gesellschaft für Geowissenschaften 242(2010), 95-97

Publ.-Id: 14185

Surface modeling and chemical solution deposition of SrO(SrTiO3)n Ruddlesden–Popper phases

Zschornak, M.; Gemming, S.; Gutmann, E.; Weißbach, T.; Stöcker, H.; Leisegang, T.; Riedl, T.; Tränkner, M.; Gemming, T.; Meyer, D. C.

Strontium titanate (STO) is a preferred substrate material for functional oxide growth, whose surface properties can be adjusted through the presence of Ruddlesden–Popper (RP) phases. Here, density functional theory (DFT) is used to model the (1 0 0) and (0 0 1) surfaces of SrO(SrTiO3)n RP phases. Relaxed surface structures, electronic properties and stability relations have been determined. In contrast to pure STO, the near-surface SrO–OSr stacking fault can be employed to control surface roughness by adjusting SrO and TiO2 surface rumpling, to stabilize SrO termination in an SrO-rich surrounding or to increase the band gap in the case of TiO2 termination. RP thin films have been epitaxially grown on (0 0 1) STO substrates by chemical solution deposition. In agreement with DFT results, the fraction of particular RP phases n = 1–3 changes with varying heating rate and molar ratio Sr:Ti. This is discussed in terms of bulk formation energy.

Keywords: functional oxide; oxide; DFT; Ruddlesden-Popper; TEM; X ray; surfaces

Publ.-Id: 14184

EXAFS, XANES, and DFT study of the mixed-valence compound YMn 2O 5: Site-selective substitution of Fe for Mn

Wunderlich, F.; Leisegang, T.; Weissbach, T.; Zschornak, M.; Dshemuchadse, J.; Lubk, A.; Führlich, T.; Welter, E.; Souptel, D.; Gemming, S.; Seifert, G.; Meyer, D. C.

In YMn2O5 the Mn atoms occupy two non-equivalent Wyckoff sites within the unit cell exhibiting different oxygen coordinations, i. e. the system can be characterized as a mixed-valence compound. For the formation of the orthorhombic crystal structure Jahn-Teller distortions are assumed to play an important role. In this study, we aimed at the investigation of the crystal structure on the substitution of Mn by the non-Jahn-Teller cation Fe+3. Therefore, we synthesized a series of YMn(2-x)FexO5 powder samples with x = 0; 0:5; 1 by a citrate technique. We utilized extended x-ray absorption fine structure (EXAFS), x-ray absorption near edge structure (XANES) analysis and Density Functional Theory to investigate the two non-equivalent Wyckoff sites within the orthorhombic crystal structure (confirmed for all compositions) occupied by transition-metal atoms. For quantitative determination of structural short-range order firstly all plausible options of substitution of Fe for Mn were discussed. On basis of these evaluations the EXAFS and XANES behavior was analyzed and appropriate crystallographic weights were assigned to the subset of structural models in accordance with the experimental data. From EXAFS analysis, using multiple scattering theory, we concluded only the 4h Wyckoff site to be occupied by Fe (occupancy refined was (100 +- 3)% in case of x = 1). Furthermore, taking the XANES spectra into account, we could verify the EXAFS results and additionally explain the differences in the Mn-K XANES spectra in dependence on x to be caused by changes of the dipole transitions to 4p final states. Since only one Wyckoff site is involved the experimentally observed limit to a maximum amount of x = 1 is explained. Additionally, a possible disorder, discussed in the literature, was not proven for our samples. With DFT calculations the experimental findings were verified on base of the total energy of the different possible electronic configurations. Crystal field effects were identified to be responsible for the site selective substitution of Fe for Mn.

Keywords: multiferroic; oxide; functional; DFT; XANES; XAFS; X-ray; ferrimagnet; antiferromagnet

Publ.-Id: 14183

Measurement of K*(892)0 and K0 mesons in Al+Al collisions at 1.9A GeV

Lopez, X.; Herrmann, N.; Piasecki, K.; Andronic, A.; Barret, V.; Basrak, Z.; Bastid, N.; Benabderrahmane, M. L.; Buehler, P.; Cargnelli, M.; Caplar, R.; Crochet, P.; Dupieux, P.; Dzelalija, M.; Fabbietti, L.; Fijal-Kirejczyk, I.; Fodor, Z.; Gasik, P.; Gasparic, I.; Grishkin, Y.; Hartmann, O.; Hildenbrand, K. D.; Hong, B.; Kang, T. I.; Kecskemeti, J.; Kirejczyk, M.; Kim, Y. J.; Kis, M.; Koczon, P.; Korolija, M.; Kotte, R.; Lebedev, A.; Leifels, Y.; Manko, V.; Marton, J.; Matulewicz, T.; Merschmeyer, M.; Neubert, W.; Pelte, D.; Petrovici, M.; Rami, F.; Reisdorf, W.; Ryu, M. S.; Schmidt, P.; Schüttauf, A.; Seres, Z.; Sikora, B.; Sim, K. S.; Simion, V.; Siwek-Wilczynska, K.; Smolyankin, V.; Suzuki, K.; Tyminski, Z.; Wagner, P.; Widmann, E.; Wisniewski, K.; Xiao, Z. G.; Yushmanov, I.; Zhang, X. Y.; Zhilin, A.; Zmeskal, J.; Kienle, P.; Yamazaki, T.

A new measurement of subthreshold K∗(892)0 and K0 production is presented. The experimental data complete the measurement of strange particles produced in Al + Al collisions at 1.9AGeV measured with the FOPI detector at SIS at GSI (Darmstadt). The K∗(892)0/K0 yield ratio is found to be 0.0315 ± 0.006(stat.) ± 0.012(syst.) and is in good agreement with the transport model prediction. These measurements provide information on the in-medium cross section of K+-π− fusion, which is the dominant process in subthreshold K∗(892)0 production.

Publ.-Id: 14182

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