TY - JOUR A1 - Nirmalananthan-Budau, Nithiya A1 - Budau, J. H. A1 - Moldenhauer, Daniel A1 - Hermann, G. A1 - Kraus, Werner A1 - Hoffmann, Katrin A1 - Paulus, Beate A1 - Resch-Genger, Ute T1 - Substitution pattern controlled aggregation-induced emission in donor-acceptor-donor dyes with one and two propeller-like triphenylamine donors N2 - We present a comparative study of the spectroscopic properties of the donor–acceptor–donor substituted dyes triphenylamine-allylidenemalononitrile-julolidine (TMJ) and triphenylamine-allylidenemalononitriletriphenylamine (TMT), bearing one and two propeller-like triphenylamine donor moieties, in solvents of varying polarity and viscosity and in the aggregated and solid state. Our results reveal control of the aggregation-induced spectroscopic changes and the packing motifs of the dye molecules in the solid state by the chemical nature and structure of the second nitrogen-containing donor, i.e., a planar and a rigid julolidine or a twisted triphenyl group. Assuming that the TMT and TMJ aggregates show a comparable arrangement of the molecules to the respective crystals, these different molecular interactions in the solid state are responsible for aggregation induced emission (AIE) in the case of TMT and its absence for TMJ. Moreover, a versatile strategy for the fluorescence enhancement of only weakly emissive AIE dyes is shown, turning these dyes into bright nanoscale fluorescent reporters by using them as stains for preformed polymer particles. KW - Nano KW - Nanoparticle KW - Photoluminescence KW - Fluorescence KW - Quantum yield KW - Photophysics KW - Lifetime KW - Sensor KW - Dye KW - Enhancement KW - Particle KW - Polarity KW - AIE KW - Aggregation KW - Aggregation-induced emission KW - Solid state emission PY - 2020 DO - https://doi.org/10.1039/d0cp00413h VL - 22 IS - 25 SP - 14142 EP - 14154 AN - OPUS4-50967 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cant, D. J. H. A1 - Minelli, C. A1 - Sparnacci, K. A1 - Müller, Anja A1 - Kalbe, H. A1 - Stoger-Pollach, M. A1 - Unger, Wolfgang A1 - Werner, W. S. M. A1 - Shard, A. G. T1 - Surface-Energy Control and Characterization of Nanoparticle Coatings N2 - Accurate and reproducible measurement of the structure and properties of high-value nanoparticles is extremely important for their commercialization. A significant proportion of engineered nanoparticle systems consist of some form of nominally core-shell structure, whether by design or unintentionally. Often, these do not form an ideal core-shell structure, with typical deviations including polydispersity of the core or shell, uneven or incomplete shells, noncentral cores, and others. Such systems may be created with or without intent, and in either case an understanding of the conditions for formation of such particles is desirable. Precise determination of the structure, composition, size, and shell thickness of such particles can prove challenging without the use of a suitable range of characterization techniques. Here, the authors present two such polymer core-shell nanoparticle systems, consisting of polytetrafluoroethylene cores coated with a range of thicknesses of either polymethylmethacrylate or polystyrene. By consideration of surface energy, it is shown that these particles are expected to possess distinctly differing coating structures, with the polystyrene coating being incomplete. A comprehensive characterization of these systems is demonstrated, using a selection of complementary techniques including scanning electron microscopy, scanning transmission electron microscopy, thermogravimetric analysis, dynamic light scattering, differential centrifugal sedimentation, and X-ray photoelectron spectroscopy. By combining the results provided by these techniques, it is possible to achieve superior characterization and understanding of the particle structure than could be obtained by considering results separately. KW - Nanoparticles KW - Core-shell KW - XPS KW - Size KW - Thickness KW - Damage PY - 2020 DO - https://doi.org/10.1021/acs.jpcc.0c02161 VL - 124 IS - 20 SP - 11200 EP - 11211 PB - ACS CY - Washington DC AN - OPUS4-50899 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sprengel, Maximilian A1 - Ulbricht, Alexander A1 - Evans, Alexander A1 - Kromm, Arne A1 - Sommer, Konstantin A1 - Werner, Tiago A1 - Kelleher, J. A1 - Bruno, Giovanni A1 - Kannengießer, Thomas T1 - Towards the optimization of post-laser powder bed fusion stress-relieve treatments of stainless steel 316L N2 - This study reports on the stress relaxation potential of stress-relieving heat treatments for laser powder bed fused 316L. The residual stress is monitored non-destructively using neutron diffraction before and after the heat treatment. Moreover, the evolution of the microstructure is analysed using scanning electron microscopy. The results show, that a strong relaxation of the residual stress is obtained when applying a heat treatment temperature at 900°C. However, the loss of the cellular substructure needs to be considered when applying this heat treatment strategy. KW - Residual stress KW - Additive manufacturing KW - Neutron diffraction KW - Projekt AGIL - Alterung additiv gefertigter metallischer Materialien und Komponenten PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-536045 DO - https://doi.org/10.1007/s11661-021-06472-6 SN - 1543-1940 VL - 52 IS - 12 SP - 5342 EP - 5356 PB - Springer CY - Boston AN - OPUS4-53604 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kraus, Werner A1 - Pitarch López, J. A1 - Thünemann, Andreas A1 - Kurth, D.G. T1 - The crystal structure of the homoleptic iron(II) complex of the novel 4'-(4'''-pyridyl-N-oxide)-2,2':6',2''-terpyridine ligand T2 - Gemeinsame Jahrestagung Deutsche Gesellschaft für Kristallographie und Nationalkomitee für Kristallographie der Österreichischen Akademie der Wissenschaften CY - Cologne, Germany DA - 2005-02-28 PY - 2005 SN - 0930-486X SP - 107 PB - Oldenbourg CY - München AN - OPUS4-7272 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Fischer, J. A1 - Straub, D. A1 - Schneider, Ronald A1 - Thöns, Sebastian A1 - Rücker, Werner T1 - Intelligente Brücke - Zuverlässigkeitsbasierte Bewertung von Brückenbauwerken unter Berücksichtigung von Inspektions- und Überwachungsergebnissen N2 - Der vorliegende Bericht beschreibt Konzepte für eine intelligente Brücke auf der Grundlage einer zuverlässigkeitsbasierten Zustandsbewertung unter Berücksichtigung von Bauwerksinformationen, welche aus Prüfungen, Inspektionen und Überwachung gewonnen werden. Das Brückensystem wird durch ein Modell beschrieben, welches den zentralen Teil des Konzeptes darstellt. Das Modell wird in Schädigungsmodelle und ein Tragwerkssystem-Modell unterteilt. Dieses Modell wird a-priori durch die Eingangsdaten (welche etwa die Geometrie, die Materialien und die Verwendung der Brücke beschreiben) charakterisiert. Aus diesen ergeben sich dann auch die Ausgangsmodelle. Um die signifikanten Streuungen und Unsicherheiten adäquat abzubilden sind diese Modelle probabilistisch. Das Modell liefert eine sich kontinuierlich ändernde probabilistische Zustandsbewertung. Die Zustandsbewertung gibt eine Aussage über den Zustand und die Zuverlässigkeit des Brückensystems und seiner Bauteile und dient als Grundlage für die Planung und die Optimierung von Maßnahmen. Die Verwendung von Resultaten aus Inspektionen, Prüfungen und Überwachungen erfolgt durch eine Aktualisierung der Modellparameter. Die Aktualisierung beruht auf der Methode der Bayes'schen Aktualisierung und wird auf der Grundlage der entwickelten Klassifizierung der Bauwerksinformationen mit entsprechenden Methoden durchgeführt. Dieses Verfahren erlaubt es, alle Informationen in konsistenter Weise in ein einziges Modell einfließen zu lassen. Dabei wird die Genauigkeit und Aussagekraft der gewonnenen Daten und Beobachtungen explizit berücksichtigt. Durch die Aktualisierung der Modellparameter unter Berücksichtigung von Systemeffekten wird die Zustandsbewertung der Bauteile und des Brückensystems aktualisiert. Das ermöglicht die Planung und die Optimierung von Maßnahmen unter Berücksichtigung der Bauwerksinformationen. Auf diese Weise wird die intelligente Brücke mit Inspektionen und Überwachungen zu einem adaptiven System, welches sich Veränderungen anpassen kann.---------------------------------------------------------------------------------------------------------------------------------------------------------------------------This report describes concepts for an intelligent bridge on the basis of a reliability-based condition assessment utilizing inspection and monitoring data. The central part of the concept is a model describing the bridge system. The overall bridge model is comprised of deterioration models and a mechanical system model of the structure. The model is a-priori characterized by the input data (such as the geometry, the materials, and the utilization of the bridge). Significant uncertainties in the deterioration modeling as well as the load conditions motivate a probabilistic modeling. The model enables a continuously updated probabilistic condition assessment. It provides information about the condition and the reliability of the bridge system and its components and serves as a basis for the planning and the optimization of maintenance actions. Inspection, measurement, and monitoring information are included by updating the model parameters. Bayesian updating is utilized for the updating of the model parameters and is performed on the basis of the developed classification of structural information and the corresponding procedures. These methodologies allow to consistently incorporate all available information into the model and the prediction. Thereby, the precision and the validity of the data and observations are explicitly accounted for. The condition assessment of the bridge system and its components is updated by updating the model parameters, and maintenance actions can be planned and optimized taking into account all available information in a rational and consistent manner. In this way, the intelligent bridge with inspections, measurements, and monitoring information becomes an adaptive system, which has the ability to adjust to changes. KW - Berechnung KW - Brücke KW - Dauerhaftigkeit KW - Deutschland KW - Echtzeit KW - Forschungsbericht KW - Kontinuierlich KW - Kontrolle KW - Messung KW - Prognose KW - Prüfverfahren KW - Rechenmodell KW - Sachschaden KW - Tragfähigkeit KW - Wahrscheinlichkeit KW - Zustandsbewertung PY - 2014 UR - http://bast.opus.hbz-nrw.de/volltexte/2014/768/pdf/BASt_B_99_ELBA_PDF.pdf SN - 978-3-95606-078-6 SN - 0943-9293 IS - B 99 SP - 1 EP - 111 PB - Fachverlag NW in der Carl Schünemann Verlag GmbH CY - Bremen AN - OPUS4-31300 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Büchner, T. A1 - Drescher, D. A1 - Merk, V. A1 - Traub, Heike A1 - Guttmann, P. A1 - Werner, St. A1 - Jakubowski, Norbert A1 - Schneider, G. A1 - Kneipp, J. T1 - Biomolecular environment, quantification, and intracellular interaction of multifunctional magnetic SERS nanoprobes N2 - Multifunctional composite nanoprobes consisting of iron oxide nanoparticles linked to silver and gold nanoparticles, Ag–Magnetite and Au–Magnetite, respectively, were introduced by endocytic uptake into cultured fibroblast cells. The cells containing the non-toxic nanoprobes were shown to be displaceable in an external magnetic field and can be manipulated in microfluidic channels. The distribution of the composite nanostructures that are contained in the endosomal system is discussed on the basis of surfaceenhanced Raman scattering (SERS) mapping, quantitative laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) micromapping, and cryo soft X-ray tomography (cryo soft-XRT). Cryo soft-XRT of intact, vitrified cells reveals that the composite nanoprobes form intra-endosomal aggregates. The nanoprobes provide SERS signals from the biomolecular composition of their surface in the endosomal environment. The SERS data indicate the high stability of the nanoprobes and of their plasmonic properties in the harsh environment of endosomes and lysosomes. The spectra point at the molecular composition at the surface of the Ag–Magnetite and Au–Magnetite nanostructures that is very similar to that of other Composite structures, but different from the composition of pure silver and gold SERS nanoprobes used for intracellular investigations. As shown by the LA-ICP-MS data, the uptake efficiency of the magnetite composites is approximately two to three times higher than that of the pure gold and silver nanoparticles. KW - Nanoparticles KW - SERS KW - Cell KW - LA-ICP-MS KW - X-ray tomography PY - 2016 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-371811 DO - https://doi.org/10.1039/c6an00890a SN - 0003-2654 VL - 141 IS - 17 SP - 5096 EP - 5106 PB - Royal Society of Chemistry CY - Cambridge, UK AN - OPUS4-37181 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wenzel, B. A1 - Li, Y. A1 - Kraus, Werner A1 - Sorger, D. A1 - Sabri, O. A1 - Brust, P. A1 - Steinbach, J. T1 - Pyrrolovesamicols - synthesis, structure and VAChT binding of two 4-fluorobenzoyl regioisomers N2 - This Letter describes the synthesis of two regioisomers of a new class of vesamicol analogs as possible ligands for imaging the vesicular acetylcholine transporter in future PET studies. The two pyrrolovesamicols (±)-6a and (±)-6b were synthesized by nucleophilic ring opening reaction of a tetrahydroindole epoxide precursor with 4-phenylpiperidine. The reaction mechanism of the synthesis was studied by HPLC and the molecular structures were determined by X-ray structure analysis. Unexpected low binding affinities to VAChT (Κi = 312 ± 73 nM for (±)-6a and Κi = 7320 ± 1840 nM for (±)-6b) were determined by competitive binding analysis using a cell line stably transfected with ratVAChT and (–)-[3H]vesamicol. KW - Pyrrolovesamicol KW - Vesamicol KW - VAChT KW - Pyrrole PY - 2012 DO - https://doi.org/10.1016/j.bmcl.2012.01.127 SN - 0960-894X SN - 1464-3405 VL - 22 IS - 6 SP - 2163 EP - 2166 PB - Pergamon, Elsevier Science CY - New York, NY [u.a.] AN - OPUS4-25574 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Meißner, T. A1 - Bergmann, R. A1 - Oswald, J. A1 - Rode, K. A1 - Stephan, H. A1 - Richter, W. A1 - Zänker, H. A1 - Kraus, Werner A1 - Emmerling, Franziska A1 - Reck, Günter T1 - Chitosan-encapsulated Keggin anion [Ti2W10PO40]7-.Synthesis, characterization and cellular uptake studies N2 - The Keggin type polyoxotungstate [Ti2W10PO40]7- forms stable associates with the biopolymer chitosan in the nanometer size range. The cluster compound crystallizes from aqueous solution as K4H3[Ti2W10PO40] · 15H2O having a tetragonal structure. Both, the cluster compound and the chitosan/[Ti2W10PO40] associates show a high hydrolytic stability at pH 7.4. The associates formed between the cluster anion [Ti2W10PO40]7- with the polyaminosaccharide chitosan have been characterized by photon correlation spectroscopy, scanning electron microscopy, filtration, centrifugation and zeta potential measurements. The size of the associates formed is in the range of ca. 5×101 to 5×102 nm. These particles have a defined stoichiometry with 5–6 cluster anions bound per molecule chitosan. The isoelectric point determined by zeta potential measurements was found for a cluster anion to chitosan molar ratio of 5.5, indicating the charge neutralization between protonated chitosan and [Ti2W10PO40]7- anions. Cellular uptake studies with [Ti2W10PO40]7- using tumor cell lines FaDu (human squamous carcinoma) and HT-29 (human adenocarcinoma) showed that the tungsten amount inside the cells is remarkably enhanced in the presence of chitosan. KW - Cluster compound KW - Keggin structure KW - Bipolymer KW - Chitosan PY - 2006 DO - https://doi.org/10.1007/s11243-006-0035-z SN - 0340-4285 SN - 1572-901X VL - 31 IS - 5 SP - 603 EP - 610 PB - Springer CY - Dordrecht AN - OPUS4-12568 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Comba, P. A1 - Emmerling, Franziska A1 - Jakob, M. A1 - Kraus, Werner A1 - Kubeil, M. A1 - Morgen, M. A1 - Pietzsch, J. A1 - Stephan, H. T1 - Copper(II) chemistry of the functionalized macrocycle cyclam tetrapropionic acid N2 - The CuII complex of H4TETP (H4TETP = 1,4,8,11-tetraazatetradecane-1,4,8,11-tetrapropionic acid) is five-coordinate with a distorted square-pyramidal structure (τ = 0.45; i.e. the geometry is nearly half-way between square-pyramidal and trigonal-bipyramidal) and a relatively long Cu–N and a short Cu–O bond; the comparison between powder and solution electronic spectroscopy, the frozen solution EPR spectrum and ligand-field-based calculations (angular overlap model, AOM) indicate that the solution and solid state structures are very similar, i.e. the complex has a relatively low 'in-plane' and a significant axial ligand field with a dx²-y² ground state. The ligand-enforced structure is therefore shown to lead to a partially quenched Jahn–Teller distortion and to a relatively low complex stability, lower than with the corresponding acetate-derived ligand H4TETA. This is confirmed by potentiometric titration and by the biodistribution with 64Cu-labeled ligands which show that the uptake in the liver is significantly increased with the H4TETP-based system. KW - Copper(II) KW - Chemistry PY - 2013 DO - https://doi.org/10.1039/c2dt32356g SN - 1477-9226 SN - 1477-9234 SN - 1364-5447 VL - 42 IS - 17 SP - 6142 EP - 6148 PB - RSC CY - Cambridge AN - OPUS4-28075 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Emmerling, Franziska A1 - Bricks, J. L. A1 - Resch-Genger, Ute A1 - Kraus, Werner A1 - Schulz, Burkhard A1 - Li, Yanqin A1 - Reck, Günter T1 - Influence of the donor substituent and acceptor alkylation on the structure-analytical properties of mono- and bifunctional biphenyl-type fluorescent reporters N2 - A systematic structural investigation of R-phenyl-substituted 2,2':6',2"-terpyridines, a family of mono- and bifunctional charge transfer (CT)-operated fluorescent reporters for protons and metal ions, is presented. These molecules are equipped with non-binding and analyte coordinating donor substituents R (R = CF3, H, OMe, OH, DMA, A15C5 equaling monoaza-15-crown-5) of various donor strength and display CT-controlled spectroscopic properties and communication of analyte–receptor interactions. The crystal structures of the neutral fluorescent probes are compared to the structures of their terpyridine-alkylated or -protonated counterparts that represent model systems for acceptor protonation or cation coordination. The aim is here a better understanding of the complexation-induced structural and spectroscopic changes and the identification of common packing motifs of bpb-R thereby taking into account the importance of terpyridine building blocks for the construction of supramolecular systems and coordination arrays revealing π–π interactions. KW - Biphenyl KW - Terpyridine KW - Crystal structure KW - Fluorescent probe KW - Charge transfer KW - Bifunctional PY - 2008 DO - https://doi.org/10.1016/j.molstruc.2007.03.025 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X VL - 874 IS - 1-3 SP - 14 EP - 27 PB - Elsevier CY - Amsterdam AN - OPUS4-17087 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stephan, H. A1 - Walther, M. A1 - Fähnemann, S. A1 - Ceroni, P. A1 - Molloy, J.K. A1 - Bergamini, G. A1 - Heisig, F. A1 - Müller, C.E. A1 - Kraus, Werner A1 - Comba, P. T1 - Bispidines for dual imaging N2 - The efficient transformation of the hexadentate bispidinol 1 into carbamate derivatives yields functional bispidines enabling convenient functionalization for targeted imaging. The BODIPY-substituted bispidine 3 combines a coordination site for metal ions, such as radioactive 64CuII, with a fluorescent unit. Product 3 was thoroughly characterized by standard analytical methods, single crystal X-ray diffraction, radiolabeling, and photophysical analysis. The luminescence of ligand 3 was found to be strongly dependent on metal ion coordination: CuII quenches the BODIPY fluorescence, whereas NiII and ZnII ions do not affect it. It follows that, in imaging applications with the positron emitter 64CuII, residues of its origin from enriched 64Ni and the decay products 64NiII and 64ZnII, efficiently restore the fluorescence of the ligand. This allows for monitoring of the emitted radiation as well as the fluorescence signal. The stability of the 64CuII–3 complex is investigated by transmetalation experiments with ZnII and NiII, using fluorescence and radioactivity detection, and the results confirm the high stability of 64CuII–3. In addition, metal complexes of ligand 3 with the lanthanide ions TbIII, EuIII, and NdIII are shown to exhibit emission of the BODIPY ligand and the lanthanide ion, thus enabling dual emission detection. KW - Bispidines KW - Chelates KW - Imaging agents KW - Lanthanides KW - Radiolabeling KW - Nuclear medical application KW - Radioactive labelling KW - SPECT PY - 2014 DO - https://doi.org/10.1002/chem.201404086 SN - 0947-6539 SN - 1521-3765 VL - 20 IS - 51 SP - 17011 EP - 17018 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-32320 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kranz, I. A1 - Gonzalez, J.B. A1 - Dörfel, Ilona A1 - Gemeinert, Marion A1 - Griepentrog, Michael A1 - Klaffke, Dieter A1 - Knabe, C. A1 - Österle, Werner A1 - Gross, U. T1 - Biological response to micron- and nanometer-sized particles known as potential wear products from artificial hip joints: Part II: Reaction of murine macrophages to corundum particles of different size distributions KW - Macrophages KW - Cytokines KW - Nanoparticles (NP) KW - Microparticles (MP) KW - Corundum PY - 2009 DO - https://doi.org/10.1002/jbm.a.32121 SN - 1549-3296 SN - 1552-4965 VL - 89A IS - 2 SP - 390 EP - 401 PB - Wiley CY - Hoboken, NJ AN - OPUS4-19346 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jentzsch, T. A1 - Juepner, H.J. A1 - Brzezinka, Klaus-Werner A1 - Lau, Angelika T1 - Efficiency of optical second harmonic generation from pentacene films of different morphology and structure KW - Second harmonic generation (424) KW - Organic substances (347) KW - PVD (370) KW - Surface morphology (462) PY - 1998 SN - 0040-6090 VL - 315 SP - 273 EP - 280 PB - Elsevier CY - Amsterdam AN - OPUS4-2311 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bonse, Jörn A1 - Brzezinka, Klaus-Werner A1 - Meixner, A.J. T1 - Modifying single-crystalline silicon by femtosecond laser pulses: an analysis by micro Raman spectroscopy, scanning laser microscopy and atomic force microscopy N2 - The surface modification of single-crystalline silicon induced by single 130 femtosecond (fs) Ti:sapphire laser pulses (wavelength 800 nm) in air is investigated by means of micro Raman spectroscopy (?-RS), atomic force microscopy and scanning laser microscopy. Depending on the laser fluence, in some regions the studies indicate a thin amorphous top-layer as well as ablated and recrystallized zones. The single-pulse threshold fluences for melting, ablation and polycrystalline recrystallization are determined quantitatively. Several different topographical surface structures (rims and protrusions) are found. Their formation is discussed in the context of recent studies of the laser irradiation of silicon. In combination with a thin-film optical model, the thickness of the amorphous layer is determined by two independent and nondestructive optical methods to be in the order of several 10 nm. KW - Femtosecond laser ablation KW - Silicon KW - Raman spectroscopy KW - Atomic force microscopy KW - Laser scanning microscopy PY - 2004 DO - https://doi.org/10.1016/S0169-4332(03)00881-X SN - 0169-4332 SN - 1873-5584 VL - 221 IS - 1-4 SP - 215 EP - 230 PB - North-Holland CY - Amsterdam AN - OPUS4-3224 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tisato, F. A1 - Refosco, F. A1 - Porchia, M. A1 - Bolzati, C. A1 - Bandoli, G. A1 - Dolmella, A. A1 - Duatti, A. A1 - Boschi, A. A1 - Jung, C. M. A1 - Pietzsch, H.-J. A1 - Kraus, Werner T1 - The Crucial Role of the Diphosphine Heteroatom X in the Stereochemistry and Stabilization of the Substitution-Inert [M(N)(PXP)]2+ Metal Fragments (M = Tc, Re; PXP = Diphosphine Ligand) N2 - The nature of the heteroatom X incorporated in the five-membered PXP-diphosphine bridging chain was found to play a primary unit role both in the overall stability and in the stereochemical arrangement of nitrido-containing [M(N)(PXP)]2+ metal fragments (M = Tc, Re). Thus, by mixing PXP ligands with labile [Re(N)Cl4]- and Tc(N)Cl2(PPh3)2 nitrido precursors in CH2Cl2/MeOH mixtures, a series of neutral M(N)Cl2(PXP) complexes (M = Tc, 1-5; M = Re, 8, 9) was collected. In the resulting distorted octahedrons, PXP adopted facial or meridional coordination, and combination with halide co-ligands produced three different stereochemical arrangements, that is, fac,cis, mer,cis, and mer,trans, depending primarily on the nature of the diphosphine heteroatom X. When X = NH, mer,cis-Tc(N)Cl2(PNP1), 1, was the only isomer formed. Alternatively, when a tertiary amine nitrogen (X = NR; R = CH3, CH2CH2OCH3) was introduced in the bridging chain, fac,cis-M(N)Cl2(PN(R)P) complexes (M = Tc, 2, 3; M = Re, 8f) were obtained. Isomerization into the mer,cis-Re(N)Cl2(PN(R)P), 8m, species was observed only in the case of rhenium when the tertiary amine group carried the less encumbering methyl substituent. fac,cis-Tc(N)Cl2(PSP), 4f, was isolated in the solid state when X = S, but a mixture of fac,cis-Tc(N)Cl2(PSP) and mer,trans-Tc(N)Cl2(PSP), 4m, isomers was found in equilibrium in the solution state. A similar equilibrium between fac,cis-M(N)Cl2(POP) (M = Tc, 5f; M = Re, 9f) and mer,trans-M(N)Cl2(POP) (M = Tc, 5m; M = Re, 9m) species was detected in POP-containing complexes. The molecular structure of all of these complexes was assessed by means of conventional physicochemical techniques including multinuclear NMR spectroscopy and X-ray diffraction analysis of representative mer,cis-Tc(N)Cl2(PN(H)P), 1, fac,cis-Tc(N)Cl2(PSP), 4f, and mer,cis-Re(N)Cl2(PN(Me)P), 8m, compounds. PY - 2004 DO - https://doi.org/10.1021/ic049139r SN - 0020-1669 SN - 1520-510X VL - 43 IS - 26 SP - 8617 EP - 8625 PB - American Chemical Society CY - Washington, DC AN - OPUS4-5546 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mironov, Y.V. A1 - Shestopalov, M.A. A1 - Brylev, K.A. A1 - Yarovoi, S. S. A1 - Romanenko, G.V. A1 - Fedorov, V.E. A1 - Spies, H. A1 - Pietzsch, H.-J. A1 - Stephan, H. A1 - Geipel, G. A1 - Bernhard, G. A1 - Kraus, Werner T1 - [Re6Q7O(3,5-Me2PzH)6]Br2.3,5-Me2PzH (Q = S, Se) - New Octahedral Rhenium Cluster Complexes with Organic Ligands: Original Synthetic Approach and Unexpected Ligand Exchange in the Cluster Core KW - Rhenium KW - Cluster compounds KW - Ligand exchange KW - Organic ligands KW - Structure elucidation KW - Laser fluorescence spectroscopy PY - 2005 SN - 1434-1948 SN - 1099-0682 SP - 657 EP - 661 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-7039 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schiller, E. A1 - Kraus, Werner A1 - Reck, Günter A1 - Spies, H. A1 - Pietzsch, H.-J. T1 - [2-Carboxy-2,2',2''-nitrilotris(ethanethiolato)-kappa4N,S,S',S''](triphenyl-phosphine-kappaP)rhenium(III) acetone solvate N2 - The title compound, [Re(C7H12NO2S3)(C18H15P)]·C3H6O, crystallizes from a solution in chloro­form–acetone–cyclo­­hexane with enantiomers disordered equally over each mol­ecular site. Hydrogen bonds between the carbox­yl groups form dimers in the crystal structure. PY - 2005 DO - https://doi.org/10.1107/S1600536805018660 SN - 1600-5368 VL - 61 IS - 7 SP - m1373 EP - m1375 PB - Munksgaard CY - Copenhagen AN - OPUS4-7613 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schiller, E. A1 - Seifert, S. A1 - Tisato, F. A1 - Refosco, F. A1 - Kraus, Werner A1 - Spies, H. A1 - Pietzsch, H.-J. T1 - Mixed-Ligand Rhenium-188 Complexes with Tetradentate/Monodentate NS3/P ('4 + 1') Coordination: Relation of Structure with Antioxidation Stability N2 - Development of new radiopharmaceuticals based on rhenium-188 depends on finding appropriate ligands able to give complexes with high in vivo stability. Rhenium(III) mixed-ligand complexes with tetradentate/monodentate ('4 + 1') coordination of the general formula [Re(NS3)(PRR'R' ')] (NS3 = tris(2-mercaptoethyl)amine and derivatives thereof, PRR'R' ' = phosphorus(III) ligands) appear to be among the promising tools to achieve this goal. According to this approach, we synthesized and characterized a series of rhenium model complexes. In vitro stabilities of the corresponding rhenium-188 complexes were determined by incubating 2-3 MBq or alternatively 37 MBq of the complexes in phosphate buffer, human plasma, and rat plasma, respectively, at 22° C or 37° C, followed by checking the amount of 188ReO4- formed after 1 h, 24, and 48 h by thin-layer chromatography. The rate of perrhenate formation varied over a wide range, depending primarily on the nature of the phosphorus(III) ligand. Physicochemical parameters of the corresponding nonradioactive rhenium complexes were analyzed in detail to find out the factors influencing their different stability and furthermore to design new substitution-inert '4 + 1' complexes. Tolman's cone angle of phosphorus(III) ligands and the lipophilic character of the inner coordination sphere were found to be crucial factors to build up stable rhenium '4 + 1' complexes. Additional information useful to describe electronic and steric properties of these compounds were selected from electronic spectra (wavelength of the ReS charge-transfer band), cyclovoltammetric measurements (E° of the ReIII/ReIV couple), and NMR investigations (31P chemical shift of coordinated P(III) ligands). PY - 2005 UR - http://pubs.acs.org/cgi-bin/abstract.cgi/bcches/2005/16/i03/abs/bc049745a.html SN - 1043-1802 SN - 1520-4812 VL - 16 IS - 3 SP - 634 EP - 643 CY - Washington, DC AN - OPUS4-7547 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reier, T. A1 - Schultze, J.W. A1 - Österle, Werner A1 - Buchal, Ch. T1 - The growth of aligned AIN-nanocrystals in aluminium after nitrogen-ion implantation at 330 K KW - AIN KW - Al2O3 KW - Ion implantation KW - Diffusion KW - Nanocrystals PY - 2001 SN - 0040-6090 VL - 385 SP - 29 EP - 35 PB - Elsevier CY - Amsterdam AN - OPUS4-7643 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bremser, Wolfram A1 - Hässelbarth, Werner A1 - Hirlehei, U. A1 - Hotze, H.-J. A1 - Mickan, B. A1 - Kramer, R. A1 - Dopheide, D. T1 - Uncertainty Analysis and Long-Term Stability Investigation of the German Primary High Pressure Natural Gas Test Facility pigsar T2 - 11th FLOMEKO CY - Groningen, The Netherlands DA - 2003-05-12 PY - 2003 CY - [Groningen] AN - OPUS4-2653 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Klaar, H.J. A1 - Schwaab, P. A1 - Österle, Werner T1 - Ringversuch zur quantitativen Ermittlung der Versetzungsdichte im Elektronenmikroskop PY - 1992 SN - 0032-678X VL - 29 SP - 3 EP - 25 PB - Hanser CY - München AN - OPUS4-2473 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Struck, Werner A1 - Irmschler, H.-J. A1 - Limberger, Ernst T1 - Die Energieübertragung auf leichte, nichttragende Bauteile beim Stoß mit einem Glaskugelsack im Vergleich zum Schulterstoß PY - 1978 SN - 0172-3006 SN - 1437-1030 VL - 9 IS - 5 SP - 129 EP - 136 PB - Ernst CY - Berlin AN - OPUS4-8861 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heinrich, T.K. A1 - Kraus, Werner A1 - Pietzsch, H.-J. A1 - Smuda, C. A1 - Spies, H. T1 - Novel Rhenium Chelate System Derived from Dimercaptosuccinic Acid for the Selective Labeling of Biomolecules N2 - This work is part of an effort to develop chelating agents for stable binding and easy conjugation of Re-188 to biologically interesting structures. Starting from the well-known in vivo stability of [188ReO(DMSA)2]-, we want to exploit this coordination system for the design of 188ReO(V) chelates, which are stable toward reoxidation to perrhenate and toward ligand exchange under all conditions of radiopharmaceutical development. Therefore, a new type of tetradentate ligand has been synthesized by bridging two molecules of N,N'-diisobutyl-2,3-dimercaptosuccinamide with N-(3-aminopropyl)propane-1,3-diamine. The resulting stereoisomeric tetrathiolato S4 ligand of composition (iBu)2N(O)C-C(SH)-C(SH)-C(O)NH-(CH2)3-NH-(CH2)3-NHC(O)-C(SH)-C(SH)-C(O)N(iBu)2 forms anionic five-coordinate oxorhenium(V) complexes by a ligand-exchange reaction of NBu4[ReOCl4] in methanol. In the absence of a base, the compounds were isolated as "betaine", [ReO(S4)], with the protonated nitrogen of the bridge serving as an internal "counterion". Two representatives have been fully characterized in both the solid and solution states and found to adopt the expected square-pyramidal coordination geometry. The equatorial plane is formed by four thiolate sulfur atoms, whereas the oxygen occupies the apical position. The orientation of the metal oxo group is exo in relation to the carbamido groups in both isomers. Both complexes are stereoisomeric regarding the junction of the triamine chain. PY - 2005 DO - https://doi.org/10.1021/ic051148s SN - 0020-1669 SN - 1520-510X VL - 44 IS - 26 SP - 9930 EP - 9937 PB - American Chemical Society CY - Washington, DC AN - OPUS4-12507 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mironov, Y.V. A1 - Brylev, K.A. A1 - Shestopalov, M.A. A1 - Yarovoi, S. S. A1 - Fedorov, V.E. A1 - Spies, H. A1 - Pietzsch, H.-J. A1 - Stephan, H. A1 - Geipel, G. A1 - Bernhard, G. A1 - Kraus, Werner T1 - Octahedral rhenium cluster complexes with organic ligands: Synthesis, structure and properties of [Re6Q8(3,5-Me2PzH)6]Br2 . 2(3,5-Me2PzH) (Q = S, Se) N2 - Two new octahedral cluster complexes – [Re6S8(3,5-Me2PzH)6]Br2 · 2(3,5-Me2PzH) (1) and [Re6Se8(3,5-Me2PzH)6]Br2 · 2(3,5-Me2PzH) (2), where 3,5-Me2PzH is 3,5-dimethylpyrazole, have been synthesized using reaction of rhenium chalcobromide complexes Cs4[Re6S8Br6] · 2H2O and Cs3[Re6Se8Br6] · H2O, respectively, with molten 3,5-dimethylpyrazole. Both compounds synthesized were characterized by X-ray single-crystal diffraction and chemical analysis, IR and luminescent spectra. KW - Synthesis KW - Crystal structure KW - Rhenium complexes KW - Octahedral clusters KW - Organic ligands PY - 2006 DO - https://doi.org/10.1016/j.ica.2005.08.012 SN - 0020-1693 SN - 1873-3255 VL - 359 IS - 4 SP - 1129 EP - 1134 PB - Elsevier Sequoia CY - Lausanne AN - OPUS4-14489 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Drews, A. A1 - Pietzsch, H.-J. A1 - Syhre, R. A1 - Seifert, S. A1 - Varnäs, K. A1 - Hall, H. A1 - Halldin, C. A1 - Kraus, Werner A1 - Karlsson, P. T1 - Synthesis and biological evaluation of technetium(III) mixed-ligand complexes with high affinity for the cerebral 5-HT1A receptor and the alpha-1-adrenergic receptor N2 - Tc(III) and Re(III) complexes [M(NS3)(CNR)] (M = Re, 99mTc, NS3 = 2,2?,2?-nitrilotris(ethanethiol), CNR = functionalized isocyanide bearing a derivative of WAY 100635) have been synthesized and characterized. Re was used as Tc surrogate for chemical characterization and in vitro receptor-binding studies. For two representatives subnanomolar affinities for the 5-HT1A as well as for the alpha1-adrenergic receptor were reached. Biodistribution studies in rats of the 99mTc complexes showed brain uptakes between 0.3 and 0.5% ID/organ (5 min p.i.). In vitro autoradiography of one 99mTc representative in sections of post mortem human brain indicate its accumulation in 5-HT1A receptor-rich brain regions. However, addition of the specific 5-HT1A receptor agonist 8-OH-DPAT as well as the alpha1-adrenoceptor antagonist prazosin could not substantially block this tracer accumulation. A preliminary SPET study in a monkey showed negligible brain uptake. KW - 5-HT1A receptor KW - Alpha 1-adrenergic receptor KW - Technetium-99m KW - Rhenium KW - Autoradiography KW - SPET PY - 2002 DO - https://doi.org/10.1016/S0969-8051(02)00296-2 SN - 0883-2897 VL - 29 IS - 4 SP - 389 EP - 398 PB - Elsevier Science Inc. CY - New York, NY AN - OPUS4-1553 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heimbold, I. A1 - Drews, A. A1 - Kretzschmar, M. A1 - Varnäs, K. A1 - Hall, H. A1 - Halldin, C. A1 - Syhre, R. A1 - Kraus, Werner A1 - Pietzsch, H.-J. T1 - Synthesis, Biological and Autoradiographic Evaluation of a Novel Tc-99m Radioligand derived from WAY 100635 with High Affinity for the 5-HT1A Receptor and the alpha1-Adrenergic Receptor N2 - This paper reports the synthesis, biological evaluation, in vitro and ex vivo autoradiography of the first Tc-99m ligand with subnanomolar affinity for the 5-HT1A receptor and a remarkably high affinity for the alpha1-adrenergic receptor. The neutral “3+1” mixed-ligand complex combines 4-(6-mercaptohexyl)-1-(2-methoxyphenyl)piperazine as monodentate and 3-(N-methyl)azapentane-1,5-dithiol as tridentate unit with oxotechnetium(V). The analogous rhenium complex was synthesized for complete structural characterization and used in receptor binding assays. In competition experiments both complexes display subnanomolar affinity for the 5-HT1A receptor (IC500.24 nM for Re, 0.13 nM for Tc) but also very high affinities for the alpha1-adrenergic receptor (IC50 0.05 nM for Re, 0.03 nM for Tc). Biodistribution studies show a brain uptake in rat of 0.22% ID five minutes post injection. In vitro autoradiographic studies in rat brain and postmortem human brain indicate accumulation of the Tc-99m complex in brain areas which are rich in 5-HT1A receptors or in alpha1-adrenergic receptors. This in vitro enrichment can be blocked respectively by the 5-HT1A receptor agonist 8-OH-DPAT or by prazosin hydrochloride, an alpha1-adrenergic receptor antagonist. Ex vivo autoradiographic studies in rats show a slight accumulation of the Tc-99m complex in 5-HT1A receptor-rich areas of the brain, which could not be blocked, as well as in regions rich in alpha1-adrenergic receptors, which could be blocked by prazosin hydrochloride. KW - Serotonin-5-HT1A receptor KW - Tc-99m receptor ligand KW - WAY100635 analogue KW - Ligand synthesis KW - In vitro and ex vivo autoradiography KW - Receptor binding assay PY - 2002 DO - https://doi.org/10.1016/S0969-8051(01)00313-4 SN - 0883-2897 VL - 29 SP - 375 EP - 387 PB - Elsevier Science Inc. CY - New York, NY AN - OPUS4-1554 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cuéllar, Pablo A1 - Mira, P. A1 - Pastor, M. A1 - Merodo, J.A.F. A1 - Baeßler, Matthias A1 - Rücker, Werner T1 - A numerical model for the transient analysis of offshore foundations under cyclic loading N2 - A comprehensive numerical model for the analysis of offshore foundations under a general transient loading is presented here. The theoretical basis of the model lies on the Swansea formulation of Biot's equations of dynamic poroelasticity combined with a constitutive model that reproduces key aspects of cyclic soil behaviour in the frame of the theory of generalised plasticity. On the practical side, the adoption of appropriate finite element formulations may prevent the appearance of spurious numerical instabilities of the pore pressure field. In this respect, the use of a coupled enhanced-strain element is here proposed. On the other hand, the practicality of the presented model depends ultimately on its computational efficiency. Some practical recommendations concerning the solution strategies, the matrix storage/handling procedures and the parallel multi-processor computation are here provided. Finally, the performance of the model with a benchmark study case and its practical application to analyse the soil–structure interaction of an offshore monopile under a realistic transient storm loading are discussed. KW - Offshore foundations KW - Cyclic loading KW - Numerical model KW - Pore pressure accumulation KW - Liquefaction analysis PY - 2014 DO - https://doi.org/10.1016/j.compgeo.2014.02.005 SN - 0266-352x VL - 59 SP - 75 EP - 86 PB - Elsevier Ltd. CY - Barking AN - OPUS4-30490 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Cuéllar, Pablo A1 - Pastor, M. A1 - Mira, P. A1 - Fernández-Merodo, J.A. A1 - Baeßler, Matthias A1 - Rücker, Werner ED - Benz, T. ED - Nordal, S. T1 - Numerical investigations for the pile foundation of an offshore wind turbine under transient lateral load N2 - Numerical analysis can be useful for the investigation of important aspects of offshore foundation prototypes that otherwise could hardly be studied experimentally, like the evolution of pore-water pressure around the monopile foundation of an offshore wind turbine under extreme loading. A combination of mixed pressuredisplacement formulations along with a constitutive model for sands based on the Generalized Plasticity Theory can replicate accurately the soil behaviour in saturated conditions. However, additional issues must be taken into account in order to perform numerical simulations of offshore piles. Some implications of the Babuska-Brezzi restriction, as well as considerations about the pile-soil interface and suitable solution strategies are discussed here. Due to the high cost of the transient analysis, the parallel computation offers a promising perspective, but can be complex and needs to be implemented carefully in order to avoid a performance deterioration. A brief overview on current trends and functional software is given here. T2 - 7th European conference on numerical methods in geotechnical engineering (NUMGE 2010) CY - Trondheim, Norway DA - 2010-06-02 KW - Offshore pile foundation KW - Cyclic lateral load KW - Pore pressure accumulation PY - 2010 SN - 978-0-415-59239-0 SP - 913 EP - 919 PB - Taylor & Francis AN - OPUS4-21572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - López, J.P. A1 - Kraus, Werner A1 - Reck, Günter A1 - Thünemann, Andreas A1 - Kurth, D.G. T1 - Alternating perpendicular 1-D channels in the supramolecular structure of the copper(II) complex [Cu(pyterpy)2](PF6)2 . CH3OH . 0.5 CH2Cl2 (pyterpy = 4'-(4'''-pyridyl)-2,2':6',2''-terpyridine) KW - 4´-(4´´´-pyridyl)-2,2´:6´2´´-terpyridine KW - Copper complexes KW - Crystal structure KW - Supramolecular chemistry KW - Pi-pi stacking PY - 2005 SN - 1387-7003 VL - 8 SP - 281 EP - 284 PB - Elsevier CY - Amsterdam AN - OPUS4-6301 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mantouvalou, I. A1 - Bauer, L.J. A1 - Truong, V.-B. A1 - Wagener, Y. A1 - Förste, F. A1 - Maruchenko, O. A1 - Werner, S. A1 - Lizzi, F. A1 - Wieder, Frank A1 - Wolff, T. A1 - Kanngießer, B. A1 - Zaslansky, P. T1 - Quantitative micro-XRF combined with X-ray imaging reveals correlations between Zn concentration and dentin tubule porosity across entire teeth N2 - Bony materials are biogenic composites of protein fibers and mineral that create hierarchical structures. In the case of teeth, dentin is the main component and similar to other bones, it contains porosity at multiple length scales. It is traversed by micron-sized hollow channels known as dentinal tubules, essential for temperature and pain sensation. Tubule density and thus porosity vary throughout the macroscopic three-dimensional (3D) structure, with porosity increasing toward the pulp. The different densities in teeth are easily revealed non-destructively in 3D by X-ray imaging using computer tomography (CT). Yet elemental composition analysis is more difficult to obtain from within the centimeter-sized heterogeneous bulk material. We describe an approach of merging CT measurements of healthy, intact bovine teeth with micro-X-ray fluorescence (micro-XRF) images of matching serially sectioned slices. Through the combination of multi-resolution quantitative CT measurements with elemental mass fraction derivation, gradients in density and element distributions such as calcium (Ca), phosphorus (P), and zinc (Zn) are revealed across entire teeth in 3D. While the main constituents (Ca and P) are homogeneously distributed in the matrix, Zn concentration increases significantly and exponentially toward the pulp. We find an inverse association between dentin tissue density and Zn concentration localizing this element in or around tubules. Our data serve as a quantitative reference for density and Zn mass fractions in healthy, neither carious nor hypermineralized dentin, as a basis for comparisons across species in health and disease states. KW - Dentin density KW - Micro-computer tomography KW - Quantitative micro-X-ray fluorescence KW - Tubule porosity KW - Zn distribution PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654215 DO - https://doi.org/10.1002/VIW.20250173 SN - 2688-3988 SN - 2688-268X SP - 1 EP - 14 PB - Wiley Online Library AN - OPUS4-65421 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - López, J.P. A1 - Kraus, Werner A1 - Reck, Günter A1 - Thünemann, Andreas A1 - Kurth, D.G. T1 - Synthesis, structure and reactivity of the homoleptic iron(II) complex of the novel 4'-(4'''-pyridyl-N-oxide)-2,2':6',2''-terpyridine ligand N2 - The new ligand 4´-(4´´´-pyridyl-N-oxide)-2,2´:6´,2´´-terpyridine (pyNoxterpy) and its homoleptic iron(II) complex have been synthesised, and structural and spectroscopic studies have been carried out. The obtained results have been compared with the reported data for the parent ligand 4´-(4´´´-pyridyl)-2,2´:6´,2´´-terpyridine (pyterpy) and its homoleptic iron(II) complex. Significant differences between the spectral and electrochemical properties of the metal complexes have been found, derived from the changes in the electronic properties of the coordinated ligands. KW - Terpyridine KW - Pyridine N-oxide KW - Iron complexes KW - Crystal structure PY - 2005 SN - 0020-1693 SN - 1873-3255 VL - 358 IS - 12 SP - 3384 EP - 3390 PB - Elsevier Sequoia CY - Lausanne AN - OPUS4-10908 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kraus, Werner A1 - Walther, M. A1 - Jung, C. M. A1 - Emmerling, Franziska A1 - Pietzsch, H.-J. T1 - Bromotricarbonyl{15-[2-(methylsulfanyl)ethylsulfanyl]pentadecanoic acid-kappa2S,S'}rhenium(I) N2 - The title compound, [ReBr(C18H36O2S2)(CO)3], was synthesized and characterized as a non-radioactive surrogate of a novel Tc-containing fatty acid derivative prepared according to the tricarbonyl/dithioether design with the objective of developing new Tc-based radiopharmaceuticals for the non-invasive diagnosis of myocardial metabolism. The Re chelate contains the metal in the oxidation state +1 and is attached to the terminal position of a fatty acid. The complex formation was accomplished by a ligand exchange reaction using [NBu4]2[Re(CO)3Br3] as starting material. KW - Fatty acid KW - Tc-compound KW - Radio-pharmaceutical PY - 2006 DO - https://doi.org/10.1107/S1600536806024081 SN - 1600-5368 VL - 62 IS - 7 SP - m1660 EP - m1662 PB - Munksgaard CY - Copenhagen AN - OPUS4-12529 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kraus, Werner A1 - Emmerling, Franziska A1 - Noll, B. A1 - Noll, S. A1 - Pietzsch, H.-J. T1 - (4-Methoxybenzenethiolato-kS)oxido[2,2'-(propylimino)bis-(ethanethiolato)-k3S,N,S']rhenium(V) N2 - The central Re atom of the mononuclear title complex, [Re(C8H18NS2)(C6H4OS)O], is five-coordinate (ReNOS3) with a square-pyramidal geometry comprising a tridentate 2,2'-(propylimino)diethanethiolate ligand, a 4-methoxybenzenethiolate ligand and a doubly-bonded O atom. PY - 2007 DO - https://doi.org/10.1107/S1600536807056814 SN - 1600-5368 VL - 63 IS - 12 SP - m3018 PB - Munksgaard CY - Copenhagen AN - OPUS4-16196 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Emmerling, Franziska A1 - Kraus, Werner A1 - Noll, B. A1 - Noll, S. A1 - Pietzsch, H.-J. T1 - Two mononuclear Tc complexes: [2,2'-(3-phenylpropylimino)- and [2,2'-(propylimino)bis(ethanethiolato)](4-methoxybenzenethiolato)-oxidotechnate(V) PY - 2007 DO - https://doi.org/10.1107/S0108270107052870 SN - 0108-2701 SN - 1600-5759 VL - 63 IS - 12 SP - m579 EP - m582 PB - Blackwell Publ. CY - Oxford AN - OPUS4-16283 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -