TY - JOUR A1 - Adhami, Forogh A1 - Safavi, Maliheh A1 - Ehsani, Maryam A1 - Ardestani, Sussan K. A1 - Emmerling, Franziska A1 - Simyari, Farzaneh T1 - Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes N2 - Three N-(pyridine-2-ylcarbamothioyl)benzamide derivatives were synthesized by the reaction of potassium thiocyanate, benzoyl chloride, and 2-amino pyridine derivatives in one pot. The obtained derivatives were oxidized using copper(II) chloride. During the oxidation, two hydrogen atoms were removed, cyclization of the derivatives occurred, and finally, three new N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives were produced. Coordination of these three new derivative ligands to the copper(II) ion resulted in the formation of three new complexes: dichlorobis(N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide)copper(II), dichlorobis(N-(7-methyl-2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2ylidene)benzamide)copper(II), and dichlorobis(N-(5-methyl-2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide)copper(II). All the synthesized products were characterized by IR, 1H NMR, and 13C NMR spectroscopies. Crystal structures of the obtained N-(pyridine-2-ylcarbamothioyl)benzamide derivatives, N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives, and complexes were determined using X-ray single-crystal diffraction; the positions of atoms, bond lengths, bond angles, and dihedral angles were also determined. In all complexes, the coordination of two large monodentate ligands and two chloride anions to the copper(II) ion resulted in the formation of a stable planar geometry around the central ion. Three N-(pyridine-2-ylcarbamothioyl)benzamide derivatives, three N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives, and three complexes were evaluated for their cytotoxicity against five human cancer cell lines (breast cancer cell line MDA-MB-231, neuroblastoma cell line SK-N-MC, prostate adenocarcinoma cell line LNCap, nasopharyngeal epidermoid carcinoma cell line KB, and liver cancer cell line HEPG-2) using an in vitro analysis. The N-(pyridine-2-ylcarbamothioyl)benzamide derivatives showed no cytotoxic activity, whereas the N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives and their complexes showed significant cytotoxicity, especially against MDA-MB-231 and LNCap cell lines. The complexes demonstrated smaller IC50 values than N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives. KW - Copper complexes PY - 2014 DO - https://doi.org/10.1039/c3dt52905c SN - 1477-9226 VL - 43 IS - 21 SP - 7945 EP - 7957 PB - Royal Society of Chemistry (RSC) AN - OPUS4-65449 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dittrich, Bettina A1 - Wartig, K.-A. A1 - Mülhaupt, R. A1 - Schartel, Bernhard T1 - Flame-retardancy properties of intumescent ammonium poly(phosphate) and mineral filler magnesium hydroxide in combination with graphene N2 - Thermally reduced graphite oxide (TRGO), containing only four single carbon layers on average, was combined with ammonium polyphosphate (APP) and magnesium hydroxide (MH), respectively, in polypropylene (PP). The nanoparticle's influence on different flame-retarding systems and possible synergisms in pyrolysis, reaction to small flame, fire behavior and mechanical properties were determined. TRGO has a positive effect on the yield stress, which is decreased by both flame-retardants and acts as a synergist with regard to Young's modulus. The applicability and effects of TRGO as an adjuvant in combination with conventional flame-retardants depends strongly on the particular flame-retardancy mechanism. In the intumescent system, even small concentrations of TRGO change the viscosity of the pyrolysing melt crucially. In case of oxygen index (OI) and UL 94 test, the addition of increasing amounts of TRGO to PP/APP had a negative impact on the oxygen index and the UL 94 classification. Nevertheless, systems with only low amounts (≤1 wt%) of TRGO achieved V-0 classification in the UL 94 test and high oxygen indices (>31 vol%). TRGO strengthens the residue structure of MH and therefore functions as a strong synergist in terms of OI and UL 94 classification (from HB to V-0). KW - Graphene KW - Intumescence KW - Ammonium polyphosphate KW - Magnesium hydroxide KW - Synergy KW - Polypropylene PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-320685 DO - https://doi.org/10.3390/polym6112875 SN - 2073-4360 VL - 6 IS - 11 SP - 2875 EP - 2895 PB - MDPI CY - Basel AN - OPUS4-32068 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Österle, Werner T1 - Modelling the sliding behaviour of tribofilms forming during automotive braking: impact of loading parameters and property range of constituents N2 - The impact of pressure, sliding velocity and property variation of constituents on the sliding behaviour of a model tribofilm was studied with the method of movable cellular automata (MCA). Whereas a clear pressure dependency of the coefficient of friction (COF) was always observed and could be correlated with the structure formation in terms of varying thickness of a mechanically mixed layer, the impact of the other parameters was either negligible or rather weak. Only if a brittle-to-ductile Transition of the oxide-based tribofilm was assumed, a significant decrease in the COF level was predicted. Temperature-dependent property changes can be neglected during MCA modelling, unless this transition takes place. For magnetite-based tribofilms, the transition temperature is beyond 800 °C, i.e. a temperature leading to fading effects during braking anyway. Thus, it could be concluded that, except for very severe braking conditions, sliding simulations with the MCA method yield meaningful results without considering temperature-dependent mechanical properties. KW - Tribofilm KW - Sliding behaviour KW - Friction KW - Movable cellular automata KW - Mechanically mixed layer PY - 2014 DO - https://doi.org/10.1007/s11249-013-0274-z SN - 1023-8883 SN - 1573-2711 VL - 53 IS - 1 SP - 337 EP - 351 PB - Springer AN - OPUS4-38548 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Epishin, A. I. A1 - Link, T. A1 - Nolze, Gert A1 - Svetlov, I. L. A1 - Bokshtein, B. S. A1 - Rodin, A. O. A1 - Saliwan Neumann, Romeo A1 - Oder, Gabriele T1 - Diffusion processes in multicomponent nickel-base superalloy-nickel system N2 - Optical and scanning electron microscopy, as well as electron microprobe analysis and electron backscatter diffraction, have been used to study diffusion processes that occur in a diffusion pair that consistsof a single-crystal CMSX-10 nickel-base superalloy and polycrystalline nickel, at temperatures of 1050–1250°C. It has been found that, in this system, the distributions of γ-stabilizing elements (Cr, Co, W, and Re) are described by the Boltzmann solution for diffusion between two semiinfinite plates of a binary alloy. The processing of these distributions has shown that the diffusion coefficients of Cr, Co, W, and Re in the multicomponent system are close to those in binary alloys of these elements with Ni. The diffusion redistribution of the elements leads to the dissolution of the γ′ phase in the nickel-base superalloy, growth of nickel grains toward the superalloy constituent of the diffusion pair, and the formation of porosity on both sides of the migrating interface, which is determined from a crystal misorientation of the alloy single crystal and nickel grains. KW - Ni-base superalloy KW - Interface KW - Diffusion KW - Phase transformation KW - Porosity PY - 2014 SN - 0031-918X VL - 115 IS - 1 SP - 21 EP - 29 AN - OPUS4-37980 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Griesche, Axel T1 - Hydrogen in Iron visualized in 3D by neutron tomography N2 - Presented are neutron tomographies on hydrogen charged iron samples. T2 - RACIRI Summer School 2015 CY - Sellin, Rügen, Germany DA - 22.08.2015 KW - Tomographie KW - Wasserstoff KW - Neutronen KW - Hydrogen KW - Neutron KW - Tomography PY - 2014 AN - OPUS4-44838 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Madia, Mauro A1 - Zerbst, Uwe A1 - Beier, H.T. T1 - A model for the determination of the fatigue life in technical alloys containing large and small defects N2 - The determination of the fatigue life in technical alloys containing large and small defects must rely on a propagation model which accounts for short and long crack growth. Recently an analytical model which incorporates propagation in the short crack regime and plastic correction for the crack driving force has been presented by two of the authors. This work is intended to show further validation of the model, taking into account data sets for different materials with different testing conditions. Despite the assumptions about missing parameters, the value of which had to be taken from the literature, the predictions showed a fairly good approximation of the fatigue lives. A possible interpretation of the results in terms of multiple crack initiation and propagation at higher loads is proposed. T2 - EFC20 - 20th European conference on fracture CY - Trondheim, Norway DA - 30.06.2014 KW - Fatigue strength KW - Crack propagation KW - Short cracks PY - 2014 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-311961 DO - https://doi.org/10.1016/j.mspro.2014.06.082 SN - 2211-8128 VL - 3 SP - 493 EP - 498 PB - Curran CY - Red Hook, NY, USA AN - OPUS4-31196 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mair, Georg W. A1 - Scherer, Florian A1 - Scholz, Irene A1 - Schönfelder, Thorsten T1 - The residual strength of breathing air composite cylinders towards the end of their service life - A first assessment of a real-life sample N2 - Emergency response units increasingly use pressure cylinders made from fibre composites for breathing air as elements of personal protective equipment (PPE). Such applications expose the composite cylinders to harsh temperature and handling conditions. At least in Europe, standards have been used for certifying PPE, which are designed and mandatory for the approval of pressure receptacles for the transport of dangerous goods. Therefore, service conditions specific to PPEs are not accounted for in these standards. In this paper, BAM (Federal Institute for Materials Research and Testing) investigates the residual safety of a composite cylinder design at the end of their designated service life of 15 years. The cylinders (test pressure PH 450 bars; 6.8 Litres) are of one design type with aluminium liner and fully wrapped with carbon fibres, which is commonly considered a “Type III” cylinder. All cylinders were used as PPE by the Berlin fire department and randomly picked in three samples of 25 cylinders each before tested. At BAM, the cylinder samples underwent hydraulic load cycle tests (LCT), conventional burst tests (BT) and so called slow burst tests (SBT). A concept for quantification of strength degradation already introduced by BAM was applied. This concept is based on a probabilistic assessment of the average strength and scatter of each sample of cylinders. The strength distributions of the used PPEcylinders is shown and analysed. Some unexpected effects are shown and a refinement of the statistical assessment is introduced. T2 - ASME 2014 Pressure Vessels and Piping Conference CY - Anaheim, CA, USA DA - 20.07.2014 KW - Composite KW - Assessment KW - Cylinder KW - Residual strenght PY - 2014 SN - 978-0-7918-4603-2 SP - PVP2014-28168, 1 EP - 9 AN - OPUS4-40173 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maurer, G. T1 - High-pressure gas solubility in mixtures with one compound being an „alternative“ solvent N2 - The term „Alternative Solvents“ often refers to ionic liquids (ILs), mainly to distinguish these substances from traditional (i.e., molecular) solvents. In applications, any „alternative“ is required to perform better than something that is proven and tested. To bring ILs into practical use, availability and costs are the fundamental points to be addressed. There are two ways to proceed: ▬ tailoring a molecule, implanting the expected characteristics advantage: optimization of the targeted performance possible risks: outcome not always foreseeable, costly and time-intensive (“trial and error“) ▬ to target on mixtures of well-characterized ILs with molecular solvents advantage: substance characteristics are known, less costly, less time-consuming, mixture composition another tunable parameter risks: the same but with less impact For the basic engineering of technical processes, knowledge of phase equilibria, particularly of mixtures, over a broad (p,T) range is mandatory. This contribution reports on recent experimental results from our laboratory: ▬ the solubility of CO2 in a mixture of water and [bmim][CH3SO4] ▬ the solubility of CO2 in a mixture of methanol and [bmim][PF6] T2 - EUCHEM 2014 5th Conference on Molten Salts and Ionic Liquids CY - Tallinn, Estonia DA - 06.07.2014 KW - Ionic liquids KW - Gas solubility KW - Henry's constant PY - 2014 AN - OPUS4-35944 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Nolze, Gert T1 - Computational Advances N2 - The EBSD signal provides more information than the used Kikuchi pattern. The presentation discusses several parts of the detected signal and how they can be interpreted. T2 - EBSD 2014 CY - Pittsburgh, Pennsylvania, USA DA - 17.06.2014 KW - Electron backscatter diffraction KW - Simulation KW - Kikuchi pattern KW - Magnetite KW - Maghemite KW - Hematite PY - 2014 AN - OPUS4-37899 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pfretzschner, Beate T1 - Hydrogen in blistered iron visualized in 3D by neutron tomography N2 - Presented are neutron tomographies on hydrogen charged iron samples. T2 - RACIRI Summerschool CY - Sellin, Germany DA - 22.08.2015 KW - Eisen KW - Neutronenradiographie KW - Wasserstoff PY - 2014 AN - OPUS4-47786 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -