TY - JOUR A1 - Kuhlich, Paul A1 - Emmerling, Franziska A1 - Kraus, Werner A1 - Nehls, Irene A1 - Piechotta, Christian T1 - 1-(4-bromo-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN N2 - The title compound, C18H25BrO, crystallized as a racemate with four independent molecules in the asymmetric unit. In the crystal, three of these four molecules are linked via C-Br...Br-C halogen bonds [Br...Br = 3.662 (2) and 3.652 (2) Å], forming dimers. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-279935 DO - https://doi.org/10.1107/S1600536813006934 SN - 1600-5368 VL - 69 IS - 4 SP - o545, sup-1 EP - sup-17 PB - Munksgaard CY - Copenhagen AN - OPUS4-27993 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kasper, J. A1 - Hermanns, M. A1 - Bantz, C. A1 - Maskos, Michael A1 - Stauber, R. A1 - Pohl, C. A1 - Unger, R. E. A1 - Kirkpatrick, J.C. T1 - Inflammatory and cytotoxic responses of an alveolar-capillary coculture model to silica nanoparticles: comparison with conventional monocultures N2 - To date silica nanoparticles (SNPs) play an important role in modern technology and nanomedicine. SNPs are present in various materials (tyres, electrical and thermal insulation material, photovoltaic facilities). They are also used in products that are directly exposed to humans such as cosmetics or toothpaste. For that reason it is of great concern to evaluate the possible hazards of these engineered particles for human health. Attention should primarily be focussed on SNP effects on biological barriers. Accidentally released SNP could, for example, encounter the alveolar-capillary barrier by inhalation. In this study we examined the inflammatory and cytotoxic responses of monodisperse amorphous silica nanoparticles (aSNPs) of 30 nm in size on an in vitro coculture model mimicking the alveolar-capillary barrier and compared these to conventional monocultures. Methods Thus, the epithelial cell line, H441, and the endothelial cell line, ISO-HAS-1, were used in monoculture and in coculture on opposite sides of a filter membrane. Cytotoxicity was evaluated by the MTS assay, detection of membrane integrity (LDH release), and TER (Transepithelial Electrical Resistance) measurement. Additionally, parameters of inflammation (sICAM-1, IL-6 and IL-8 release) and apoptosis markers were investigated. Results Regarding toxic effects (viability, membrane integrity, TER) the coculture model was less sensitive to apical aSNP exposure than the conventional monocultures of the appropriate cells. On the other hand, the in vitro coculture model responded with the release of inflammatory markers in a much more sensitive fashion than the conventional monoculture. At concentrations that were 10-100fold less than the toxic concentrations the apically exposed coculture showed a release of IL-6 and IL-8 to the basolateral side. This may mimic the early inflammatory events that take place in the pulmonary alveoli after aSNP inhalation. Furthermore, a number of apoptosis markers belonging to the intrinsic pathway were upregulated in the coculture following aSNP treatment. Analysis of the individual markers indicated that the cells suffered from DNA damage, hypoxia and ER-stress. Conclusion We present evidence that our in vitro coculture model of the alveolar-capillary barrier is clearly advantageous compared to conventional monocultures in evaluating the extent of damage caused by hazardous material encountering the principle biological barrier in the lower respiratory tract. KW - Silica nanoparticles KW - Alveolar-capillary coculture model KW - Cytotoxicity PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-254217 DO - https://doi.org/10.1186/1743-8977-8-6 SN - 1743-8977 VL - 8 IS - 6 SP - 1 EP - 16(?) PB - BioMed Central CY - London AN - OPUS4-25421 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ehrig, Karsten A1 - Goebbels, Jürgen A1 - Meinel, Dietmar A1 - Paetsch, O. A1 - Prohaska, S. A1 - Zobel, Valentin T1 - Comparison of crack detection methods for analyzing damage processes in concrete with computed tomography N2 - Analyzing damages at concrete structures due to physical, chemical, and mechanical exposures need the application of innovative non-destructive testing methods that are able to trace spatial changes of microstructures. Here, the utility of three different crack detection methods for the analysis of computed tomograms of various cementitious building materials is evaluated. Due to the lack of reference samples and standardized image quality evaluation procedures, the results are compared with manually segmented reference data sets. A specific question is how automatic crack detection can be used for the quantitative characterization of damage processes, such as crack length and volume. The crack detection methods have been integrated into a scientific visualization system that allows displaying the tomography images as well as presenting the results. T2 - DIR 2011 - International symposium on digital industrial raidology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Crack detection KW - Computed tomography KW - Data visualization PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-243569 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (Poster 2) SP - 1 EP - 8 PB - Deutsche Gesellscahft für Zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24356 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kupsch, Andreas A1 - Hentschel, Manfred P. A1 - Lange, Axel A1 - Grothausmann, R. A1 - Manke, I. T1 - Application of the DIRECTT algorithm to sub-nanometer electron tomography N2 - Tomography data obtained from transmission electron microscopes are especially attractive due to their unrivaled spatial resolution in the nanometer range or even less, but they require enormous efforts in sample preparation and suffer from a diverse accumulation of experimental restrictions, which unavoidably result in fundamental reconstruction artifacts. These restrictions refer to: partial opacity, a limited view (limited angle or missing wedge), very few angles (with respect to the detector size), limited to a region of interest (ROI; due to the sample size), variable angular increments as well as sample degradation due the interactions with the electron beam. An advanced version of the DIRECTT (Direct Iterative Reconstruction of Computed Tomography Trajectories) algorithm proves to cope with most of these severe deviations from ideal CT measuring conditions. However, careful data preprocessing is required in order to exploit the capabilities of the algorithm. Nanometer sized Ruthenium catalyst particles for fuel cell applications are 3D imaged at a few Ångström resolution in order to estimate their partial free surface on carbon black supports, which rule the efficiency of the catalytic activity. Comparisons of DIRECTT reconstructions to the conventional filtered back projection, prove the significant improvements. T2 - DIR 2011 - International symposium on digital industrial raidology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Electron tomography KW - Computed tomography KW - Reconstruction algorithms PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-243577 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (Tu.3.3) SP - 1 EP - 6 PB - Deutsche Gesellscahft für Zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24357 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gollwitzer, Christian A1 - Bellon, Carsten A1 - Deresch, Andreas A1 - Ewert, Uwe A1 - Jaenisch, Gerd-Rüdiger T1 - On POD estimations with radiographic simulator aRTist N2 - The computer simulation of radiography is applicable for different purposes in NDT such as for the qualification of NDT systems, the optimization of system parameters, feasibility analysis, model-based data interpretation, education and training of NDT/NDE personnel, and others. Within the framework of the European project PICASSO simulators will be adapted to support reliability assessments of NDT tasks. The radiographic simulator aRTist developed by BAM is well suited for this task. It combines analytical modelling of the RT inspection process with the CAD-orientated object description applicable to various industrial sectors such as power generation, aerospace, railways and others. The analytic model includes the description of the radiation source, the interaction of Radiation with the material of the part, and the detection process with special focus to DIR. To support reliability estimations the simulation tool is completed by a tool for probability of detection (POD) estimation. It consists of a user interface for planning automatic simulation runs with varying parameters, specifically defect variations. Further, an automatic image analysis procedure is included to evaluate the defect visibility and calculate the POD therefrom. T2 - International symposium on digital industrial radiology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Radiographie KW - Computersimulation KW - Probability of detection PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-245092 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (Tu.2.3) SP - 1 EP - 8 PB - Deutsche Gesellschaft für zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24509 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bartscher, M. A1 - Ehrig, Karsten A1 - Staude, Andreas A1 - Goebbels, Jürgen A1 - Neuschaefer-Rube, U. T1 - Application of an industrial CT reference standard for cast freeform shaped workpieces N2 - Industrial computed tomography (CT) today is an important method to analyze defects and to measure the geometry of technical products. The measurement capability of industrial CT often depends on the knowledge of the measurement errors being present. Only with this knowledge, effective corrections are possible by manufacturers, or adapted measurement procedures become possible for the customers. Thus, there is the strong need to have adequate reference standards both for the assessment of general dependencies and for the measurement of task-specific effects. Especially the latter are difficult to assess. This paper shows the application of a versatile dismountable workpiece-near reference body for the use with CT. The reference standard was made from a miniaturized cast aluminium (one-)cylinder head. It can be dismounted into four segments, each featuring reference geometries which enable a registration of CT measured and other reference datasets (e.g. from tactile CMM). The reference standard embodies complex freeform surfaces which are a challenging measurement task for CT and other sensors. Here the application of the reference standard is the study of the influence of material mixes. This is realized by adding pieces of other materials which disturb the mono-material measurement. Results of the application of the reference standard are presented using data from industrial micro-CT systems and CMM reference data. A special emphasis is given on the workflow of the data processing and the data analysis. T2 - International symposium on digital industrial radiology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Industrial reference standard KW - Computed tomographie KW - Freeform shaped workpieces PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-245532 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (We.4.3) SP - 1 EP - 12 PB - Deutsche Gesellschaft für zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24553 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mishra, Kirti Bhushan A1 - Wehrstedt, Klaus-Dieter T1 - An efficient and clean fuel for high temperature process industries N2 - The use of energetic materials as a main fuel in high temperature process industries are not known to the scientific community as such. This paper highlights some of the features and advantages of using organic peroxides especially di-tert-butyl peroxide (DTBP) in high temperature process industries. The feasibility of using DTBP as a main or supporting fuel in process industries have also been justified with the help of Computational Fluid Dynamics (CFD) simulations. For peroxides requirement of less fuel and air for the same amount of heat flux has been shown. The resulted emission from the combustion of DTBP is also discussed. T2 - 11th Conference on Energy for a Clean Environment CY - Lisbon, Portugal DA - 2011-07-05 KW - Energetic materials KW - Process industries KW - Organic peroxide KW - Di-tert-butylperoxide (DTBP) KW - CFD simulation KW - Emission PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-247071 SP - 1 EP - 10 AN - OPUS4-24707 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mishra, Kirti Bhushan A1 - Wehrstedt, Klaus-Dieter T1 - Combustion of peroxy-fuels N2 - The diffusion flames of organic peroxides exhibit quite different characteristics than hydrocarbons. What makes them interesting to study is their fast burning behaviour. As a result the flame temperature enhances and so does the thermal radiation. Due to all these they demand safe handling during processing. However, they can be utilised at several places in different industries where a fuel with fast burning, high temperature and intense radiation are desired. Some of the possibilities to use them as a main or supporting fuel in a wide range of industrial utilities are the major content of this paper. T2 - ERCOFTAC conference - Highly resolved experimental and numerical diagnostics for turbulent combustion CY - Rouen, France DA - 25.05.2011 KW - Energetic materials KW - Process industries KW - Organic peroxide KW - Di-tert-butyl peroxide (DTBP) KW - CFD simulation KW - Emission PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-247083 SP - 1 EP - 5 AN - OPUS4-24708 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Osterloh, Kurt A1 - Fratzscher, Daniel A1 - Jechow, Mirko A1 - Bücherl, T. A1 - Schillinger, B. A1 - Hasenstab, A. A1 - Zscherpel, Uwe A1 - Ewert, Uwe T1 - Limited view tomography of wood with fast and thermal neutrons N2 - Neutrons are absorbed particularly by hydrogen containing materials so they can be used as a tool for visualising heterogeneous density distributions of organic materials. Penetration limits are set by the layer thicknesses and the neutron energies applied. In case of specimens with a flat shape the situation may be encountered that the object only could be penetrated in selected directions. In addition, the overall size may exceed the beam diameter and thus the viewing window if a certain region of interest should be studied by tomography without destroying the integrity of the specimen. This study shows the capabilities and limits of thermal and fast neutrons to investigate flat wooden specimens such as boards and girders by neutron tomography under such circumstances. Taking projections was impaired either by the limits of penetrability or by the total size of the object. As a consequence, projections were included for reconstruction only from a limited angular range of 90°. It could be shown that an approach based on the slice theorem was capable to visualise structural features along the beam directions while simply omitting the perpendicular ones without causing additional artefacts. Small samples with a thickness of up to 2 cm but several times broader could be studied with the ANTARES facility of the FRM II neutron source in Garching providing thermal neutrons while larger objects required a beam of higher energy as available in the NECTAR facility of the same institution. The fast (fission) neutrons (1.5 – 2 MeV) of this site allowed investigating an area of interest inside a girder with a cross section of 23.5 x 49 cm². Internal features such as inclusions could be detected as well as a heterogeneous density distribution in glue layers. T2 - International symposium on digital industrial radiology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Computed tomography KW - Slice theoreme KW - Limited angle tomography PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-250663 SN - 978-3-940283-34-4 VL - 128 SP - 1 EP - 5 PB - Deutsche Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) CY - Berlin AN - OPUS4-25066 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lange, Axel A1 - Hentschel, Manfred P. A1 - Kupsch, Andreas A1 - Müller, Bernd R. T1 - Correction of diffuse X-ray detector based background N2 - A novel approach to strongly suppress artifacts in radiography and computed tomography caused by the effect of diffuse background Signals (“backlight”) of 2D X-ray detectors is suggested. Depending on the detector geometry the mechanism may be different, either based on the optical scattering of the fluorescent screen materials into optical detection devices or Compton or X-ray fluorescence scattering by the detector components. Consequently, these erroneous intensity portions result in locally different violations of Lambert Beer’s law in single projections (radiographs). When used as input data for computed tomography these violations are directly observed via modulation of the projected mass as a function of the rotation Phase and the sample’s aspect ratio (dynamics). The magnitude of the diffuse Background signal depends on the detector area covered by the projected sample. They are more pronounced the smaller the shaded area and the stronger the total attenuation. Moreover, the local intensity mismatch depends on the attenuation of the sample. We present very basic reference data measured with multiple metal foils at a synchrotron radiation source. Beam hardening artifacts can be excluded due to the monochromatic radiation. The proposed correction procedure assumes a constant (non-local) scattering mechanism. T2 - DIR 2011 - International symposium on digital industrial raidology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Backlight KW - X-ray detector KW - Fluorescence screen KW - Synchrotron radiography KW - Computed tomography PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-243589 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (Poster 24) SP - 1 EP - 7 PB - Deutsche Gesellscahft für Zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bellon, Carsten A1 - Gollwitzer, Christian A1 - Fratzscher, Daniel A1 - Ewert, Uwe A1 - Jaenisch, Gerd-Rüdiger T1 - Simulation of complex scan paths for 3D reconstruction N2 - X-ray computed tomography (CT) is a volumetric (3D) Imaging diagnostic method, well established in the medical field, and in industrial NDE as well. Developments in industrial CT aim to extent the applicability to complex structures, which do not allow the access of all directions. This are e.g. limited view, data and angle CT applications. New reconstruction algorithms are required on one side, and the accuracy has to be improved on the other side. Numerical Simulation can support such developments by providing well defined data sets for the testing of reconstruction algorithms. This approach of virtual CT is realized within the radiographic simulator aRTist, developed by BAM. The poster shows the possibilities of this tool to consider complex scan paths. Simulated data sets have been reconstructed by an versatile backprojection algorithm. T2 - International symposium on digital industrial radiology and computed tomography CY - Berlin, Germany DA - 20.06.2011 KW - Radiographie KW - Computer-Simulation KW - 3D-Rekonstruktion PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-243928 SN - 978-3-940283-34-4 IS - DGZfP-BB 128 (Poster 17) SP - 1 EP - 4 PB - Deutsche Gesellschaft für zerstörungsfreie Prüfung e.V. (DGZfP) AN - OPUS4-24392 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schukar, Vivien A1 - Kusche, Nadine A1 - Kalinka, Gerhard A1 - Habel, Wolfgang T1 - Field deployable fiber bragg grating strain patch for long-term stable health monitoring applications N2 - A fiber Bragg grating (FBG) strain patch specially adapted for long-term and high-strain applications has been developed and characterized. The design concept for the patch is based on a glass-fiber reinforced plastic (gfrp) carrier material. The developed concept for the FBG integration into the carrier material was derived from reliable integration procedure of FBG sensors into composite structures. The patches' temperature sensitivity, strain gauge factor, fiber–matrix interface adhesion and fatigue behavior were characterized. As a result, FBG strain patches with linear temperature and strain behavior, as well as excellent fatigue resistance, were developed and can be used as part of a monitoring system for advanced composite materials in aerospace structures or wind turbine power plants. KW - Fiber Bragg grating KW - Patch KW - Strain gauge factor KW - Temperature sensitivity KW - Push-out test KW - Validation KW - Fatigue behavior PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-276271 DO - https://doi.org/10.3390/app3010039 SN - 2076-3417 VL - 3 IS - 1 SP - 39 EP - 54 PB - MDPI CY - Basel AN - OPUS4-27627 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CHAP A1 - Krebber, Katerina ED - Harun, S.W. ED - Arof, H. T1 - Smart technical textiles based on fiber optic sensors N2 - Smart technical textiles are by definition textiles that can interact with their environment. They can sense and react to environmental conditions and external stimuli from mechanical, thermal, chemical or other sources. Such textiles are multifunctional or even “intelligent” which is fulfilled by a number of sensors incorporated in the textiles. The embedded sensors are sensitive to various parameters such as temperature, strain, chemical, biological and other substances. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-289397 SN - 978-953-51-1148-1 DO - https://doi.org/10.5772/54244 IS - Section 3 / Chapter 12 SP - 319 EP - 344 PB - InTech AN - OPUS4-28939 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wiggenhauser, Herbert A1 - Niederleithinger, Ernst T1 - Innovative ultrasonic techniques for inspection and monitoring of large concrete structures N2 - Ultrasonic echo and transmission techniques are used in civil engineering on a regular basis. New sensors and data processing techniques have lead to many new applications in the structural investigation as well as quality control. But concrete structures in the nuclear sector have special features and parameters, which pose problems for the methods and instrumentation currently available, e.g. extreme thickness, dense reinforcement, steel liners or special materials. Several innovative ultrasonic techniques have been developed to deal with these issues at least partly in lab experiments and pilot studies. Modern imaging techniques as multi-offset SAFT have been used e. g. to map delaminations. Thick concrete walls have successfully been inspected, partly through a steel liner. Embedded ultrasonic sensors have been designed which will be used in monitoring networks of large concrete structures above and below ground. In addition, sensitive mathematical methods as coda wave interferometry have been successfully evaluated to detect subtle changes in material properties. Examples of measurements and data evaluation are presented. KW - Automated scanning systems KW - Multi-Offset Array KW - Enhanced Imaging KW - Embedded ultrasonic sensors PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-290513 DO - https://doi.org/10.1051/epjconf/20135604004 SN - 2100-014X VL - 56 SP - 04004-1 EP - 04004-9 PB - EDP Sciences CY - Les Ulis AN - OPUS4-29051 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Orts Gil, Guillermo A1 - Natte, Kishore A1 - Österle, Werner T1 - Multi-parametric reference nanomaterials for toxicology: state of the art, future challenges and potential candidates N2 - A major requirement for the validation of methods assessing the risk associated with engineered nanoparticles (ENPs) is the use of reference materials (RMs). In the present contribution we review available RMs, ongoing projects and characterisation trends in the field. The conclusion is that actual approaches to RMs mostly deal with metrological considerations about single properties of the ENPs, typically their primary size, which can hardly be representative of nanoparticles characteristics in real testing media and therefore, not valid for reliable and comparable toxicological studies. As an alternative, we discussed the convenience and feasibility of establishing multi-parametric RMs for a series of ENPs, focusing on silica nanoparticles (SNPs). As a future perspective, the need to develop RMs based on hybrid nanoparticles is also discussed. KW - Referenzmaterialien KW - Nanopartikel KW - Toxikologie KW - Metrologie PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-292997 DO - https://doi.org/10.1039/c3ra42112k SN - 2046-2069 VL - 3 IS - 40 SP - 18202 EP - 18215 PB - RSC Publishing CY - London AN - OPUS4-29299 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moreira, E.V. A1 - Rabello, J.M.B. A1 - Pereira, M.d.S. A1 - Lopes, R.T. A1 - Zscherpel, Uwe T1 - Digital radiography using digital detector arrays fulfills critical applications for offshore pipelines N2 - Digital radiography in the inspection of welded pipes to be installed under deep water offshore gas and oil pipelines, like a presalt in Brazil, in the paper has been investigated. The aim is to use digital radiography for nondestructive testing of welds as it is already in use in the medical, aerospace, security, automotive, and petrochemical sectors. Among the current options, the DDA (Digital Detector Array) is considered as one of the best solutions to replace industrial films, as well as to increase the sensitivity to reduce the inspection cycle time. This paper shows the results of this new technique, comparing it to radiography with industrial films systems. In this paper, 20 test specimens of longitudinal welded pipe joints, specially prepared with artificial defects like cracks, lack of fusion, lack of penetration, and porosities and slag inclusions with varying dimensions and in 06 different base metal wall thicknesses, were tested and a comparison of the techniques was made. These experiments verified the purposed rules for parameter definitions and selections to control the required digital radiographic image quality as described in the draft international standard ISO/DIS 10893-7. This draft is first standard establishing the parameters for digital radiography on weld seam of welded steel pipes for pressure purposes to be used on gas and oil pipelines. KW - Zerstörungsfreie Prüfung von Schweißnähten KW - Durchstrahlungsprüfung KW - Digitale Radiologie PY - 2010 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-225319 DO - https://doi.org/10.1155/2010/894643 SN - 1687-6172 VL - 2010 IS - Article ID 894643 SP - 1 EP - 7 PB - Hindawi Publ. CY - New York, NY, USA AN - OPUS4-22531 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tölle, Florian A1 - Gumenyuk, Andrey A1 - Gebhardt, Moritz Oliver A1 - Rethmeier, Michael T1 - Post-weld residual stress mitigation by scanning of a defocused laser beam N2 - High welding residual stresses can cause service life reducing consequences. Even though many processes have been developed to reduce these stresses, they are only applicable for wider welds and simple component geometries or are cost-intensive, respectively. The presented method uses a defocused beam after welding for heating the material regions on both sides of the weld. In this way, the welding stresses are decreased without contacting the surfaces using the available equipment. Different process parameters could be used depending on the component geometry and the laser power. The mechanism and the influence of the process parameters were investigated by FEM-simulation and experiments on S355J2+N steel and showed a stress reduction of about 73%. T2 - Lasers in Manufacturing 2011 - Proceedings of the Sixth International WLT Conference on Lasers in Manufacturing CY - Munich, Germany DA - 23.05.2011 KW - Residual stresses KW - Stress reduction KW - High energy beam welding KW - Post-weld heat treatment KW - Laser scanner optics PY - 2011 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-238482 DO - https://doi.org/10.1016/j.phpro.2011.03.052 SN - 1875-3892 VL - 12 IS - 1 SP - 410 EP - 418 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-23848 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pelkner, Matthias A1 - Neubauer, Andreas A1 - Reimund, Verena A1 - Kreutzbruck, Marc T1 - Routes for GMR-sensor design in non-destructive testing N2 - GMR sensors are widely used in many industrial segments such as information technology, automotive, automation and production, and safety applications. Each area requires an adaption of the sensor arrangement in terms of size adaption and alignment with respect to the field source involved. This paper deals with an analysis of geometric sensor parameters and the arrangement of GMR sensors providing a design roadmap for non-destructive testing (NDT) applications. For this purpose we use an analytical model simulating the magnetic flux leakage (MFL) distribution of surface breaking defects and investigate the flux leakage signal as a function of various sensor parameters. Our calculations show both the influence of sensor length and height and that when detecting the magnetic flux leakage of µm sized defects a gradiometer base line of 250 µm leads to a signal strength loss of less than 10% in comparison with a magnetometer response. To validate the simulation results we finally performed measurements with a GMR magnetometer sensor on a test plate with artificial µm-range cracks. The differences between simulation and measurement are below 6%. We report on the routes for a GMR gradiometer design as a basis for the fabrication of NDT-adapted sensor arrays. The results are also helpful for the use of GMR in other application when it comes to measure positions, lengths, angles or electrical currents. KW - Giant magneto resistance KW - Non-destructive testing KW - Magnetic flux leakage KW - Sensor array PY - 2012 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-271325 DO - https://doi.org/10.3390/s120912169 SN - 1424-8220 VL - 12 IS - 9 SP - 12169 EP - 12183 PB - MDPI CY - Basel AN - OPUS4-27132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lopez-Heredia, M.A. A1 - Gildenhaar, Renate A1 - Berger, Georg A1 - Linow, Ulf A1 - Wirth, Cynthia A1 - Günster, Jens A1 - Houshmand, A. A1 - Stiller, M. A1 - Knabe-Ducheyne, C. T1 - Effect of stressed and unstressed cell culture environments on the viability of MC3T3 cells with calcium phosphates T2 - ISACB-6 - International symposium on apatite and correlative biomaterials CY - Nantes, France DA - 2013-06-05 KW - Cell culture media KW - Fetal bovine serum KW - Stressed KW - Unstressed KW - Calcium alkaline orthophosphates PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-299387 DO - https://doi.org/10.4172/2090-5025.S1-002 SN - 2090-5017 SN - 2090-5025 N1 - Geburtsname von Wirth, Cynthia: Gomes, C. M. - Birth name of Wirth, Cynthia: Gomes, C. M. SP - 1 EP - 3(?) PB - Ashdin AN - OPUS4-29938 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hanelt, Sven A1 - Friedrich, Jörg Florian A1 - Meyer-Plath, Asmus T1 - UV spectrometric indirect analysis of brominated MWCNTs with UV active thiols and an alkene-reaction kinetics, quantification and differentiation of adsorbed bromine and oxygen N2 - Indirect UV-absorption spectrometry was shown to be a valuable tool for chemical characterization of functionalized carbon nanotubes (CNTs). It complements data from X-ray photoelectron spectroscopy (XPS) or FTIR analysis since it helps to clarify the type and concentration of functional groups. The principles of indirect application of UV-spectrometry and its mathematical interpretation are discussed. Their facile application, together with their adequate sensitivity and high flexibility, make UV-absorption-based approaches a valuable alternative to fluorescence spectrometry. Here, the approach was applied to the chemical analysis of oxidizing substances on CNTs. For this, pristine CNTs of low but finite oxygen content as well as brominated CNTs were analyzed by reaction in suspension with UV-active thiol reagents and a styrene derivative. It was shown that carefully selected reagents allow differentiation and quantification of bromine and generally oxidizing entities like oxygen. For brominated CNTs, it was shown that physisorbed bromine may dominate the overall bromine content. KW - Carbon nanotubes KW - CNTs KW - UV-spectrometry KW - Bromination KW - Thiols KW - Mercaptans KW - Disulfides KW - Quantification KW - Kinetics PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-289077 DO - https://doi.org/10.3390/ma6083035 SN - 1996-1944 VL - 6 IS - 8 SP - 3035 EP - 3063 PB - MDPI CY - Basel AN - OPUS4-28907 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neumann, Patrick P. A1 - Asadi, S. A1 - Hernandez Bennetts, V. A1 - Lilienthal, A.J. A1 - Bartholmai, Matthias T1 - Monitoring of CCS areas using micro unmanned aerial vehicles (MUAVs) N2 - Carbon capture & storage (CCS) is one of the most promising technologies for greenhouse gas (GHG) management. However, an unsolved issue of CCS is the development of appropriate long-term monitoring systems for leak detection of the stored CO2. To complement already existing monitoring infrastructure for CO2 storage areas, and to increase the granularity of gas concentration measurements, a quickly deployable, mobile measurement device is needed. In this paper, we present an autonomous gas-sensitive micro-drone, which can be used to monitor GHG emissions, more specifically, CO2. Two different measurement strategies are proposed to address this task. First, the use of predefined sensing trajectories is evaluated for the task of gas distribution mapping using the micro-drone. Alternatively, we present an adaptive strategy, which suggests sampling points based on an artificial potential field (APF). The results of real-world experiments demonstrate the feasibility of using gas-sensitive micro-drones for GHG monitoring missions. Thus, we suggest a multi-layered surveillance system for CO2 storage areas. T2 - GHGT 11 - Greenhouse gas control technologies conference CY - Kyoto, Japan DA - 18.11.2012 KW - Gas-sensitive micro-drone KW - Gas distribution mapping KW - Sensor planning KW - Artificial potential field KW - CCS PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-289119 DO - https://doi.org/10.1016/j.egypro.2013.06.320 SN - 1876-6102 VL - 37 SP - 4182 EP - 4190 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-28911 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Würth, Christian A1 - Grabolle, Markus A1 - Pauli, Jutta A1 - Spieles, Monika A1 - Resch-Genger, Ute T1 - Relative and absolute determination of fluorescence quantum yields of transparent samples N2 - Luminescence techniques are among the most widely used detection methods in the life and material sciences. At the core of these methods is an ever-increasing variety of fluorescent reporters (i.e., simple dyes, fluorescent labels, probes, sensors and switches) from different fluorophore classes ranging from small organic dyes and metal ion complexes, quantum dots and upconversion nanocrystals to differently sized fluorophore-doped or fluorophore-labeled polymeric particles. A key parameter for fluorophore comparison is the fluorescence quantum yield (Φf), which is the direct measure for the efficiency of the conversion of absorbed light into emitted light. In this protocol, we describe procedures for relative and absolute determinations of Φf values of fluorophores in transparent solution using optical methods, and we address typical sources of uncertainty and fluorophore class-specific challenges. For relative determinations of Φf, the sample is analyzed using a conventional fluorescence spectrometer. For absolute determinations of Φf, a calibrated stand-alone integrating sphere setup is used. To reduce standard-related uncertainties for relative measurements, we introduce a series of eight candidate quantum yield standards for the wavelength region of ~350–950 nm, which we have assessed with commercial and custom-designed instrumentation. With these protocols and standards, uncertainties of 5–10% can be achieved within 2 h. PY - 2013 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-294202 DO - https://doi.org/10.1038/nprot.2013.087 SN - 1754-2189 SN - 1750-2799 VL - 8 IS - 8 SP - 1535 EP - 1550 PB - Nature Publishing Group CY - Basingstoke AN - OPUS4-29420 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lengas, Nikolaos A1 - Schlick-Hasper, Eva A1 - Müller, Karsten A1 - Neitsch, Marcel A1 - Johann, Sergej A1 - Zehn, M. T1 - Development of an analysis and testing concept for the evaluation of impact targets in the mechanical safety testing of dangerous goods packagings N2 - The mechanical and geometrical properties of impact targets greatly influence the outcome of a drop test. The International Agreement concerning the International Carriage of Dangerous Goods by Road (ADR) as well as ISO 2248 describe the characteristics of impact targets for drop tests of dangerous goods packagings. According to these regulations, the impact target’s surface needs to be unyielding, under testing conditions non-deformable, flat, and integral with a mass at least 50 times that of the heaviest packaging to be tested. The problem is that many production facilities, especially manufacturers of corrugated fibreboard boxes, do not have their own testing device with the required 50 times mass ratio of the impact target for a regulation compliant drop test during series production. Furthermore, at UN level it is considered necessary to revise these requirements. In the present paper, the impact target requirements are examined in detail and compared with those in other technical areas (e.g., impact target for container for the transport of radioactive materials). A research method is being developed to investigate the dependency between the mass ratio of the packaging and the target as well as the damage resistance of a drop tested package in relation to specific design characteristics. The results are of high relevance for industry purposes and intended to ensure a uniform level of safety assessment for the mechanical testing of dangerous goods packagings. KW - Corrugated fibreboard boxes KW - Dangerous goods packagings KW - Drop test KW - Impact target KW - Structural dynamics PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-549660 DO - https://doi.org/10.1002/pts.2656 SN - 0894-3214 SN - 1099-1522 VL - 35 IS - 9 SP - 689 EP - 700 PB - Wiley CY - New York, NY AN - OPUS4-54966 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arinchtein, A. A1 - Ye, M.-Y. A1 - Yang, Q. A1 - Kreyenschulte, C. A1 - Wagner, Andreas A1 - Frisch, M. A1 - Brückner, A. A1 - Kondratenko, E. A1 - Kraehnert, R. T1 - Dynamics of Reaction-Induced Changes of Model-Type Iron Oxide Phases in the CO2-Fischer-Tropsch-Synthesis N2 - Iron-based catalysts are employed in CO2-FTS due to their ability to convert CO2 into CO in a first step and their selectivity towards higher hydrocarbons in a second CO hydrogenation step. According to the literature, iron carbides represent the active phase for hydrocarbon formation and are claimed to emerge in the presence of CO. We propose nanostructured FeOx films as model systems to assess information about the complex phase transformations during CO2-FTS. Mesoporous hematite, ferrihydrite, maghemite, maghemite/magnetite films were exposed to CO2-FTS atmospheres at 20 bar and 300°C. Up to three distinct phases were observed depending on the timeon-stream (TOS): a sintered maghemite/magnetite phase, a carbidic core-shell structure, and a low-crystalline, needle-type oxide phase. Our findings indicate that the formation of an intermediary maghemite/magnetite phase, predominant after short TOS (30 h), precedes the evolution of the carbide phase. Yet, even after prolonged TOS (185 h), no full conversion into a bulk carbide is observed. KW - Nanostructured FeOx films KW - CO2 KW - Scanning Auger Spectroscopy PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-549709 DO - https://doi.org/10.1002/cctc.202200240 SN - 1867-3880 VL - 14 IS - 14 SP - 1 EP - 11 PB - Wiley-VCH AN - OPUS4-54970 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Koyutürk, B. A1 - Farber, E. A1 - Wagner, F. A1 - Fellinger, Tim-Patrick A1 - Eisenberg, D. T1 - A simple decagram-scale synthesis of an atomically dispersed, hierarchically porous Fe–N–C catalyst for acidic ORR N2 - Carbons doped with iron and nitrogen (Fe–N–Cs) are highly promising electrocatalysts for energy conversion reactions in the oxygen, nitrogen and carbon cycles. Containing no platinum group metals, they nevertheless compete with platinum-based catalysts in crucial fuel cell reactions, such as oxygen reduction in acid. Yet deployment of Fe–N–Cs in fuel cells requires also a flow-enhancing pore structure, and a scalable synthesis procedure – a rarely-met combination of requirements. We now report such a simple synthesis of over 10 g of an Fe–N–C catalyst with high activity towards oxygen reduction in acid. Atomically-dispersed Fe–N4 active sites were designed orthogonally and simultaneously with hierarchical micro-, meso- and macroporosity, by exploiting a dual role of magnesium ions during pyrolysis. Combining the “active site imprinting” and “self-templating” strategies in a single novel magnesium iminodiacetate precursor yielded a catalyst with high specific surface area (SSA > 1600 m2 g−1), a flow-enhancing hierarchical porosity, and high relative abundance of the most desirable D1-type Fe–N4 sites (43%, by Mössbauer spectroscopy at 4.2 K). Despite the relatively low iron contents, the catalysts feature halfwave potentials up to 0.70 V vs. RHE at pH 1 and a mass activity of 1.22 A g−1 at 0.8 V vs. RHE in RDE experiments. Thanks to the simple and scalable synthesis, this active and stable catalyst may serve as a workhorse in academic and industrial research into atomically-dispersed ORR electrocatalysis. KW - Catalysis KW - Fe-N-C catalysts KW - Fuel Cells KW - Electrochemistry PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-550113 DO - https://doi.org/10.1039/d2ta00925k SN - 2050-7488 SP - 1 EP - 10 PB - Royal Society of Chemistry AN - OPUS4-55011 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Titirici, M. A1 - Baird, S. G. A1 - Sparks, T. D. A1 - Yang, S. M. A1 - Brandt-Talbot, A. A1 - Hosseinaei, O. A1 - Harper, D. P. A1 - Parker, R. M. A1 - Vignolini, S. A1 - Berglund, L. A. A1 - Li, Y. A1 - Gao, H.-L. A1 - Mao, L.-B. A1 - Yu, S.-H. A1 - Díez, N. A1 - Ferrero, G. A. A1 - Sevilla, M. A1 - Szilágyi, P. Á. A1 - Stubbs, C. J. A1 - Worch, J. C. A1 - Huang, Y. A1 - Luscombe, C. K. A1 - Lee, K.-Y. A1 - Luo, H. A1 - Platts, M. J. A1 - Tiwari, D. A1 - Kovalevskiy, D. A1 - Fermin, D. J. A1 - Au, H. A1 - Alptekin, H. A1 - Crespo-Ribadeneyra, M. A1 - Ting, V. P. A1 - Fellinger, Tim-Patrick A1 - Barrio, J. A1 - Westhead, O. A1 - Roy, C. A1 - Stephens, I. E. L. A1 - Nicolae, S. A. A1 - Sarma, S. C. A1 - Oates, R. P. A1 - Wang, C.-G. A1 - Li, Z. A1 - Loh, X. J. A1 - Myers, R. J. A1 - Heeren, N. A1 - Grégoire, A. A1 - Périssé, C. A1 - Zhao, X. A1 - Vodovotz, Y. A1 - Earley, B. A1 - Finnveden, G. A1 - Björklund, A. A1 - Harper, G. D. J. A1 - Walton, A. A1 - Anderson, P. A. T1 - The sustainable materials roadmap N2 - Our ability to produce and transform engineered materials over the past 150 years is responsible for our high standards of living today, especially in the developed economies. Yet, we must carefully think of the effects our addiction to creating and using materials at this fast rate will have on the future generations. The way we currently make and use materials detrimentally affects the planet Earth, creating many severe environmental problems. It affects the next generations by putting in danger the future of economy, energy, and climate. We are at the point where something must drastically change, and it must change NOW. We must create more sustainable materials alternatives using natural raw materials and inspiration from Nature while making sure not to deplete important resources, i.e. in competition with the food chain supply. We must use less materials, eliminate the use of toxic materials and create a circular materials economy where reuse and recycle are priorities. We must develop sustainable methods for materials recycling and encourage design for disassembly. We must look across the whole materials life cycle from raw resources till end of life and apply thorough life cycle assessments based on reliable and relevant data to quantify sustainability. KW - Electrochemistry KW - Fe-N-C catalysts KW - Fuel cells KW - Catalysis PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-550126 DO - https://doi.org/10.1088/2515-7639/ac4ee5 SN - 2515-7639 VL - 5 IS - 3 SP - 1 EP - 98 PB - IOP Publishing CY - Bristol AN - OPUS4-55012 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Belenguer, A. A1 - Lampronti, G. A1 - Michalchuk, Adam A1 - Emmerling, Franziska A1 - Sanders, J. T1 - Quantitative reversible one pot interconversion of three crystalline polymorphs by ball mill grinding N2 - We demonstrate here using a disulfide system the first example of reversible, selective, and quantitative transformation between three crystalline polymorphs by ball mill grinding. This includes the discovery of a previously unknown polymorph. Each polymorph is reproducibly obtained under well-defined neat or liquid-assisted grinding conditions, revealing subtle control over the apparent thermodynamic stability. We discovered that the presence of a contaminant as low as 1.5% mol mol−1 acting as a template is required to enable all these three polymorph transformations. The relative stabilities of the polymorphs are determined by the sizes of the nanocrystals produced under different conditions and by surface interactions with small amounts of added solvent. For the first time, we show evidence that each of the three polymorphs is obtained with a unique and reproducible crystalline size. This mechanochemical approach gives access to bulk quantities of metastable polymorphs that are inaccessible through recrystallisation. KW - Mechanochemistry KW - Polymorph KW - XRD PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-549934 DO - https://doi.org/10.1039/D2CE00393G SP - 1 EP - 7 PB - Royal Society of Chemistry AN - OPUS4-54993 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tengattini, A A1 - Kardjilov, N A1 - Helfen, L A1 - Douissard, P A A1 - Lenoir, N A1 - Markötter, Henning A1 - Hilger, A A1 - Arlt, T A1 - Paulisch, M A1 - Turek, T A1 - Manke, Ingo T1 - Compact and versatile neutron imaging detector with sub-4μm spatial resolution based on a single-crystal thin-film scintillator N2 - A large and increasing number of scientific domains pushes for high neutron imaging resolution achieved in reasonable times. Here we present the principle, design and performance of a detector based on infinity corrected optics combined with a crystalline Gd3Ga5O12 : Eu scintillator, which provides an isotropic sub-4 μm true resolution. The exposure times are only of a few minutes per image. This is made possible also by the uniquely intense cold neutron flux available at the imaging beamline NeXT-Grenoble. These comparatively rapid acquisitions are compatible with multiple high quality tomographic acquisitions, opening new venues for in-operando testing, as briefly exemplified here. KW - Neutron imaging KW - Scintillator KW - Resolution PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-549836 DO - https://doi.org/10.1364/oe.448932 VL - 30 IS - 9 SP - 14461 EP - 14477 PB - Optica CY - Washington, DC AN - OPUS4-54983 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weise, Frank A1 - von Werder, Julia A1 - Manninger, Tanja A1 - Maier, Bärbel A1 - Fladt, Matthias A1 - Simon, Sebastian A1 - Gardei, Andre A1 - Höhnel, Desirée A1 - Pirskawetz, Stephan A1 - Meng, Birgit T1 - A multiscale and multimethod approach to assess and mitigate concrete damage due to alkali-silica reaction N2 - Alkali-silica reaction (ASR) is a chemical reaction within concrete which can lead over time to cracking and spalling. Due to the complexity of the problem, it still causes damage to concrete constructions worldwide. The publication aims to illustrate the interdisciplinary research of the German Federal Institute for Materials Research and Testing (BAM) within the last 20 years, considering all aspects of ASR topics from the macro to the micro level. First, methods for characterization and assessment of ASR risks and reaction products used at BAM are explained and classified in the international context. Subsequently the added value of the research approach by combining different, preferably nondestructive, methods across all scales is explained using specific examples from a variety of research projects. Aspects covered range from the development of new test-setups to assess aggregate reactivity, to analysis of microstructure and reaction products using microscopical, spectroscopical and X-ray methods, to the development of a testing methodology for existing concrete pavements including in-depth analysis of the visual damage indicator and the de-icing salt input using innovative testing techniques. Finally, research regarding a novel avoidance strategy that makes use of internal hydrophobization of the concrete mix is presented. KW - Mitigation strategies KW - Concrete KW - Damage analysis KW - Alkali silica reaction KW - Road pavement KW - Accelerated testing KW - Non-destructive testing KW - Microstructure PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:101:1-2022052515100075090235 DO - https://doi.org/10.1002/adem.202101346 SN - 1527-2648 VL - 24 IS - 6 SP - 1 EP - 36 PB - Wiley-VCH CY - Weinheim AN - OPUS4-54951 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Accorsi, M. A1 - Tiemann, M. A1 - Wehrhan, L. A1 - Finn, Lauren M. A1 - Cruz, R. A1 - Rautenberg, Max A1 - Emmerling, Franziska A1 - Heberle, J. A1 - Keller, B. G. A1 - Rademann, J. T1 - Pentafluorophosphato-Phenylalanines: Amphiphilic Phosphotyrosine Mimetics Displaying Fluorine-Specific Protein Interactions N2 - Phosphotyrosine residues are essential functional switches in health and disease. Thus, phosphotyrosine biomimetics are crucial for the development of chemical tools and drug molecules. We report here the discovery and investigation of pentafluorophosphato amino acids as novel phosphotyrosine biomimetics. A mild acidic pentafluorination protocol was developed and two PF5-amino acids were prepared and employed in peptide synthesis. Their structures, reactivities, and fluorine-specific interactions were studied by NMR and IR spectroscopy, X-ray diffraction, and in bioactivity assays. The mono-anionic PF5 motif displayed an amphiphilic character binding to hydrophobic surfaces, to water molecules, and to protein-binding sites, exploiting charge and H−F-bonding interactions. The novel motifs bind 25- to 30-fold stronger to the phosphotyrosine binding site of the protein tyrosine phosphatase PTP1B than the best current biomimetics, as rationalized by computational methods, including molecular dynamics simulations. KW - Chemical Biology KW - Drug Development KW - Pentafluorophosphates KW - Phosphotyrosine Biomimetics KW - Protein Tyrosine Phosphatases PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-549984 DO - https://doi.org/10.1002/anie.202203579 SN - 1433-7851 VL - 134 IS - 25 SP - 1 EP - 6 PB - Wiley-VCH GmbH AN - OPUS4-54998 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sieksmeyer, T. A1 - He, S. A1 - Esparza-Mora, M. A. A1 - Jiang, S. A1 - Petrasiunaite, V. A1 - Kuropka, B. A1 - Banasiak, Robert A1 - Julseth, M. J. A1 - Weise, C. A1 - Johnston, P. R. A1 - Rodriguez-Rojas, A. A1 - McMahon, Dino Peter T1 - Eating in a losing cause: Limited benefit of modifed macronutrient consumption following infection in the oriental cockroach Blatta orientalis N2 - Background: Host–pathogen interactions can lead to dramatic changes in host feeding behaviour. One aspect of this includes self-medication, where infected individuals consume substances such as toxins or alter their macronutrient consumption to enhance immune competence. Another widely adopted animal response to infection is illness-induced anorexia, which is thought to assist host immunity directly or by limiting the nutritional resources available to pathogens. Here, we recorded macronutrient preferences of the global pest cockroach, Blatta orientalis to investigate how shifts in host macronutrient dietary preference and quantity of carbohydrate (C) and protein (P) interact with immunity following bacterial infection. Results: We fnd that B. orientalis avoids diets enriched for P under normal conditions, and that high P diets reduce cockroach survival in the long term. However, following bacterial challenge, cockroaches signifcantly reduced their overall nutrient intake, particularly of carbohydrates, and increased the relative ratio of protein (P:C) consumed. Surprisingly, these behavioural shifts had a limited efect on cockroach immunity and survival, with minor changes to immune protein abundance and antimicrobial activity between individuals placed on diferent diets, regardless of infection status. Conclusions: We show that cockroach feeding behaviour can be modulated by a pathogen, resulting in an illness-induced anorexia-like feeding response and a shift from a C-enriched to a more P:C equal diet. However, our results also indicate that such responses do not provide signifcant immune protection in B. orientalis, suggesting that the host’s dietary shift might also result from random rather than directed behaviour. The lack of an apparent beneft of the shift in feeding behaviour highlights a possible reduced importance of diet in immune regulation in these invasive animals, although further investigations employing pathogens with alternative infection strategies are warranted. KW - Animal immune system KW - A key interface KW - Host and symbiont ecology KW - Behavioural mechanisms KW - Biotic environment PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-550022 DO - https://doi.org/10.1186/s12862-022-02007-8 SN - 2730-7182 VL - 22 IS - 1 SP - 1 EP - 14 PB - Springer Nature CY - London, UK AN - OPUS4-55002 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lamoriniere, S. A1 - Mitchell, P. J. A1 - Ho, K. A1 - Kalinka, Gerhard A1 - Shaffer, M. S. P. A1 - Bismarck, A. T1 - Carbon nanotube enhanced carbon Fibre-Poly(ether ether ketone) interfaces in model hierarchical composites N2 - Poly (ether ether ketone) (PEEK) has a high continuous service temperature, excellent mechanical properties, and good solvent and abrasion resistance, which can be further improved through the addition of carbon nanotubes (CNTs). CNT-PEEK nanocomposites are promising matrices for continuous carbon fibre composites; powder processing can mitigate the high melt viscosities in these systems. In this study, model single fibre (hierarchical) composites were produced by embedding sized and desized carbon fibres in nanocomposite CNTPEEK powders followed by single fibre pull-out tests to assess interfacial characteristics. Carbon fibre-PEEK interfacial shear strength is typically 40–45 MPa. Increasing CNT loadings increased fibre-matrix interfacial shear strength linearly up to ~70 MPa at 5.0 wt%, which was attributed to the CNT-based mechanical modification of the PEEK matrix. Apparent interfacial shear strength was inversely correlated with the embedded fibre length irrespective of carbon fibre sizing or CNT loading, indicating brittle fracture of the fibre-matrix interface. Pulled out carbon fibres were still coated with the matrix, which indicated strong adhesion at the interface in all samples, likely related to a transcrystalline region. Adhesion was, however, negatively affected by the presence of epoxy sizings. Frictional shear strength was independent of embedded fibre length and CNT content for all samples. KW - Keywords: Poly(ether ether ketone) KW - Carbon fibres KW - Carbon nanotubes KW - Interfacial strength KW - Debonding PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-550052 DO - https://doi.org/10.1016/j.compscitech.2022.109327 SN - 0266-3538 VL - 221 SP - 1 EP - 8 PB - Elsevier Ltd. CY - Niederlande AN - OPUS4-55005 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kader, A. A1 - Kaufmann, Jan Ole A1 - Mangarova, D. B. A1 - Moeckel, J. A1 - Brangsch, J. A1 - Adams, L. C. A1 - Zhao, J. A1 - Reimann, C. A1 - Saatz, Jessica A1 - Traub, Heike A1 - Buchholz, R. A1 - Karst, U. A1 - Hamm, B. A1 - Makowski, M. R. T1 - Iron Oxide Nanoparticles for Visualization of Prostate Cancer in MRI N2 - Prostate cancer (PCa) is one of the most common cancers in men. For detection and diagnosis of PCa, non-invasive methods, including magnetic resonance imaging (MRI), can reduce the risk potential of surgical intervention. To explore the molecular characteristics of the tumor, we investigated the applicability of ferumoxytol in PCa in a xenograft mouse model in two different tumor volumes, 500 mm3 and 1000 mm3. Macrophages play a key role in tumor progression, and they are able to internalize iron-oxide particles, such as ferumoxytol. When evaluating T2*-weighted sequences on MRI, a significant decrease of signal intensity between pre- and post-contrast images for each tumor volume (n = 14; p < 0.001) was measured. We, furthermore, observed a higher signal loss for a tumor volume of 500 mm3 than for 1000 mm3. These findings were confirmed by histological examinations and laser ablation inductively coupled plasma-mass spectrometry. The 500 mm3 tumors had 1.5% iron content (n = 14; sigma = 1.1), while the 1000 mm3 tumors contained only 0.4% iron (n = 14; sigma = 0.2). In vivo MRI data demonstrated a correlation with the ex vivo data (R2 = 0.75). The results of elemental analysis by inductively coupled plasma-mass spectrometry correlated strongly with the MRI data (R2 = 0.83) (n = 4). Due to its long retention time in the blood, biodegradability, and low toxicity to patients, ferumoxytol has great potential as a contrast agent for visualization PCa. KW - Imaging KW - Nanoparticle KW - Cancer KW - Iron oxide KW - ICP-MS KW - Magnetic resonance imaging PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-550075 DO - https://doi.org/10.3390/cancers14122909 VL - 14 IS - 12 SP - 1 EP - 13 PB - MDPI CY - Basel, Switzerland AN - OPUS4-55007 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mehri, S. A1 - Kolmangadi, Mohamed Aejaz A1 - Dyre, J.C. A1 - Ingebrigtsen, T.S. T1 - Lines of invariant physics in the isotropic phase of the discotic Gay-Berne model N2 - The Gay-Berne model is studied numerically with a choice of parameters allowing for the formation of a discotic liquid crystal at low temperatures. We show that the model has strong virial potential-energy correlations in the isotropic phase at high temperatures, i.e., it obeys the criterion for the existence of isomorphs, which are curves of approximately invariant structure and dynamics. These properties are demonstrated to be approximately invariant in reduced units along the isomorph studied. The isomorph is described well by the constant density-scaling exponent 11.5, a number that is significantly larger than the density-scaling exponents of various Lennard-Jones models that are always below 6. KW - Liquid Crystal KW - Molecular Dynamics PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547611 DO - https://doi.org/10.1016/j.nocx.2022.100085 VL - 14 SP - 1 EP - 7 PB - Elsevier B.V. AN - OPUS4-54761 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bugel, S. A1 - Hahnel, M. A1 - Kunde, T. A1 - de Sousa Amadeu, Nadar A1 - Sun, Y. A1 - Spieß, A. A1 - Beglau, T. H. Y. A1 - Janiak, C. A1 - Schmidt, B. M. T1 - Synthesis and Characterization of a Crystalline Imine-Based Covalent Organic Framework with Triazine Node and Biphenyl Linker and Its Fluorinated Derivate for CO2/CH4 Separation N2 - A catalyst-free Schiff base reaction was applied to synthesize two imine-linked covalent organic frameworks (COFs). The condensation reaction of 1,3,5-tris-(4-aminophenyl)triazine (TAPT) with 4,4′-biphenyldicarboxaldehyde led to the structure of HHU-COF-1 (HHU = Heinrich-Heine University). The fluorinated analog HHU-COF-2 was obtained with 2,2′,3,3′,5,5′,6,6′-octafluoro-4,4′-biphenyldicarboxaldehyde. Solid-state NMR, infrared spectroscopy, X-ray photoelectron spectroscopy, and elemental analysis confirmed the successful formation of the two network structures. The crystalline materials are characterized by high Brunauer–Emmett–Teller surface areas of 2352 m2/g for HHU-COF-1 and 1356 m2/g for HHU-COF-2. The products of a larger-scale synthesis were applied to prepare mixed-matrix membranes (MMMs) with the polymer Matrimid. CO2/CH4 permeation tests revealed a moderate increase in CO2 permeability at constant selectivity for HHU-COF-1 as a dispersed phase, whereas application of the fluorinated COF led to a CO2/CH4 selectivity increase from 42 for the pure Matrimid membrane to 51 for 8 wt% of HHU-COF-2 and a permeability increase from 6.8 to 13.0 Barrer for the 24 wt% MMM. KW - MOF KW - Filter PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547632 DO - https://doi.org/10.3390/ma15082807 SN - 1996-1944 VL - 15 IS - 8 SP - 1 EP - 18 PB - MDPI AN - OPUS4-54763 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, G. A1 - Marquardt, Julien A1 - Emmerling, Franziska T1 - Structural changes in Ba-compounds of different hardness induced by high-energy ball milling – evidenced by 137Ba NMR and X-ray powder diffraction N2 - Changes in the global bulk and local structures, of three different barium compounds (BaZrO3, BaF2, and BaFCl),were induced by mechanical milling and followed using X-ray powder diffraction (PXRD), subsequent microstructure analysis, and 137Ba solid state NMR spectroscopy. Harder materials like BaZrO3 experience significantly higher structural changes upon milling than softer materials like BaF2. Moreover, soft materials with layered structures, like BaFCl, show a pronounced structural change during the milling process. By combining PXRD and solid state NMR, detailed information on the changes to the global and local structures were obtained, which are of interest for mechanochemical synthesis, mechanically treated catalysts or ionic conductors. KW - Mechanochemistry KW - X-ray diffraction KW - Solid state NMR PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547397 DO - https://doi.org/10.1002/zaac.202200026 SN - 0044-2313 VL - 648 IS - 10 SP - 1 EP - 8 PB - Wiley-VCH CY - Weinheim AN - OPUS4-54739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishurova, Tatiana A1 - Evsevleev, Sergei A1 - Artzt, K. A1 - Haubrich, J. A1 - Sevostianov, I. A1 - Requena, G. A1 - Bruno, Giovanni T1 - Micromechanical behavior of annealed Ti-6Al-4V produced by Laser Powder Bed Fusion N2 - The micromechanical behavior of an annealed Ti-6Al-4V material produced by Laser Powder Bed Fusion was characterized by means of in-situ synchrotron X-ray diffraction during a tensile test. The lattice strain evolution was obtained parallel and transversal to the loading direction. The elastic constants were determined and compared with the conventionally manufactured alloy. In the plastic regime, a lower plastic anisotropy exhibited by the lattice planes was observed along the load axis (parallel to the building direction) than in the transverse direction. Also, the load transfer from α to β phase was observed, increasing global ductility of the material. The material seems to accumulate a significant amount of intergranular strain in the transverse direction. KW - Additive manufacturing KW - Ti-6Al-4V KW - Anisotropy KW - Intergranular strain KW - Synchrotron X-ray diffraction PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547406 DO - https://doi.org/10.1080/26889277.2022.2063763 VL - 2 IS - 1 SP - 186 EP - 201 PB - Taylor & Francis AN - OPUS4-54740 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishurova, Tatiana A1 - Stegemann, R. A1 - Lyamkin, V. A1 - Cabeza, S. A1 - Evsevleev, S. A1 - Pelkner, Matthias A1 - Bruno, Giovanni T1 - Subsurface and Bulk Residual Stress Analysis of S235JRC + C Steel TIG Weld by Diffraction and Magnetic Stray Field Measurements N2 - Background Due to physical coupling between mechanical stress and magnetization in ferromagnetic materials, it is assumed in the literature that the distribution of the magnetic stray field corresponds to the internal (residual) stress of the specimen. The correlation is, however, not trivial, since the magnetic stray field is also influenced by the microstructure and the geometry of component. The understanding of the correlation between residual stress and magnetic stray field could help to evaluate the integrity of welded components. Objective This study aims at understanding the possible correlation of subsurface and bulk residual stress with magnetic stray field in a low carbon steel weld. Methods The residual stress was determined by synchrotron X-ray diffraction (SXRD, subsurface region) and by neutron diffraction (ND, bulk region). SXRD possesses a higher spatial resolution than ND. Magnetic stray fields were mapped by utilizing high-spatial-resolution giant magneto resistance (GMR) sensors. Results The subsurface residual stress overall correlates better with the magnetic stray field distribution than the bulk stress. This correlation is especially visible in the regions outside the heat affected zone, where the influence of the microstructural features is less pronounced but steep residual stress gradients are present. Conclusions It was demonstrated that the localized stray field sources without any obvious microstructural variations are associated with steep stress gradients. The good correlation between subsurface residual stress and magnetic signal indicates that the source of the magnetic stray fields is to be found in the range of the penetration depth of the SXRD measurements. KW - Residual stress KW - Magnetic stray field KW - Synchrotron X-ray diffraction KW - Neutron diffraction KW - TIG welding PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547419 DO - https://doi.org/10.1007/s11340-022-00841-x VL - 62 IS - 6 SP - 1017 EP - 1025 PB - Springer AN - OPUS4-54741 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lu, Xin A1 - Chruscicki, Sebastian A1 - Schukar, Marcus A1 - Münzenberger, Sven A1 - Krebber, Katerina T1 - Application of Intensity-Based Coherent Optical Time Domain Reflectometry to Bridge Monitoring N2 - Although distributed fiber sensing techniques have been widely used in structural health monitoring, the measurement results of bridge monitoring, particularly under destructive testing, have rarely been reported. To the best of our knowledge, this paper is the first report of distributed vibration measurement results, which we obtained during a three-day destructive test on an abolished bridge. A coherent optical time domain reflectometry (COTDR) was used to acquire the vibration information while the bridge was being sawed. The obtained signal was analyzed in time and frequency domain. Some characteristics of the sawing-induced vibration were retrieved by the short-time Fourier transform; the vibration exhibited several high frequency components within the measured range up to 20 kHz and all the components appeared in the same time slot. Some unexpected signals were also detected. Thorough analysis showed that they are quite different from the sawing-induced vibration and are believed to originate from internal damage to the bridge (probably the occurrence of cracks). KW - Destructive testing KW - Structural health monitoring KW - Distributed fiber sensing KW - Distributed acoustic sensing PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547451 DO - https://doi.org/10.3390/s22093434 VL - 22 IS - 9 SP - 3434 PB - MDPI AN - OPUS4-54745 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schneider, Beate A1 - Pfeiffer, F. A1 - Dyall-Smith, M. A1 - Kunte, Hans-Jörg T1 - Genome Sequence of Micromonospora aurantiaca Strain G9, a Member of a Bacterial Consortium Capable of Polyethylene Degradation N2 - Nine different bacterial isolates were recovered from landfills. Each isolate was obtained in pure culture. As a consortium, the bacteria degrade polyethylene. The complete genome sequence of strain G9 was determined by PacBio sequencing. Using the TYGS server for taxonomic classification, strain G9 was assigned to the species Micromonospora aurantiaca. KW - Polyethylene KW - Micromonospora aurantiaca KW - Degradation KW - iChip PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547181 DO - https://doi.org/10.1128/mra.01148-21 SN - 2576-098X VL - 11 IS - 5 SP - 1 EP - 2 PB - American Society for Microbiology CY - Washington, DC AN - OPUS4-54718 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hübler, Daniela A1 - Gradt, Thomas T1 - Effect of different binders and secondary carbides on NbC cermets T1 - Einfluss unterschiedlicher Binder und Sekundärkarbide auf NbC-Hartmetalle N2 - Due to the rapidly increasing price of tungsten carbide and the significant health risks associated with the wear products of WC-Co (Co3O4 and Wo3), an alternative is required. Niobium carbide (NbC) is well suited as a cutting tool due to its high melting point and low solubility in iron. So far, NbC-Ni cermets best met the requirements of high hardness and toughness. Various secondary carbides such as VC, Mo2C, TiC, but also WC were added to further improve the hardness. N2 - Aufgrund des rasanten Preisanstiegs von Wolframcarbid und signifikanter Gesundheitsrisiken, die mit den Verschleißprodukten von WC-Co-Hartmetallen (Co3O4 and Wo3) einhergehen, wird eine Alternative benötigt. Niobcarbid (NbC) ist als Zerspanwerkzeug aufgrund seiner hohen Schmelztemperatur und seiner geringen Löslichkeit in Eisen gut geeignet. Im Vergleich zu reinem NbC, führte eine vollständige Substitution von WC zu NbC-Co zu einem Anstieg der Zähigkeit und Festigkeit. Als alternative Binder wurden anschließend Nickel- und Eisengebundene Binder untersucht. Obwohl eisengebundene Hartmetalle im Vergleich zu NbC-Ni Hartmetallen eine ökonomische und kostengünstigere Alternative darstellen würden, zeigten sie einen höheren Reibkoeffizienten und eine höhere Verschleißrate. Bisher erfüllen die NbC-Ni-Hartmetalle die Anforderungen hinsichtlich einer hohen Härte und Zähigkeit am besten. Verschiedene Sekundärkarbide, wie VC, Mo2C, TiC, aber auch WC wurden zusätzlich hinzugefügt, um die Härte weiter zu steigern. Elementanalysen der NbC-Ni-MeC Hartmetalle (Me = Metall) zeigten, dass der Binder eine kubisch-flächenzentrierter Mischkristall ist, während die NbC Phase ein Mischkristall des Typs (Nb, Me)C ist. KW - Niobium carbide (NbC) KW - Cutting tool KW - Binders PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547202 DO - https://doi.org/10.1007/s10010-022-00583-1 SN - 0015-7899 VL - 86 IS - 2 SP - 197 EP - 211 PB - Springer CY - Berlin AN - OPUS4-54720 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Altenburg, T. A1 - Giese, S. A1 - Wang, S. A1 - Muth, Thilo A1 - Renard, B.Y. T1 - Ad hoc learning of peptide fragmentation from mass spectra enables an interpretable detection of phosphorylated and cross-linked peptides N2 - Mass spectrometry-based proteomics provides a holistic snapshot of the entire protein set of living cells on a molecular level. Currently, only a few deep learning approaches exist that involve peptide fragmentation spectra, which represent partial sequence information of proteins. Commonly, these approaches lack the ability to characterize less studied or even unknown patterns in spectra because of their use of explicit domain knowledge. Here, to elevate unrestricted learning from spectra, we introduce ‘ad hoc learning of fragmentation’ (AHLF), a deep learning model that is end-to-end trained on 19.2 million spectra from several phosphoproteomic datasets. AHLF is interpretable, and we show that peak-level feature importance values and pairwise interactions between peaks are in line with corresponding peptide fragments. We demonstrate our approach by detecting post-translational modifications, specifically protein phosphorylation based on only the fragmentation spectrum without a database search. AHLF increases the area under the receiver operating characteristic curve (AUC) by an average of 9.4% on recent phosphoproteomic data compared with the current state of the art on this task. Furthermore, use of AHLF in rescoring search results increases the number of phosphopeptide identifications by a margin of up to 15.1% at a constant false discovery rate. To show the broad applicability of AHLF, we use transfer learning to also detect cross-linked peptides, as used in protein structure analysis, with an AUC of up to 94%. KW - Mass spectrometry KW - Machine learning KW - Deep learning KW - Peptide identification PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547580 DO - https://doi.org/10.1038/s42256-022-00467-7 SN - 2522-5839 VL - 4 SP - 378 EP - 388 PB - Springer Nature CY - London AN - OPUS4-54758 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Langenhan, Jennifer A1 - Jaeger, Carsten A1 - Baum, K. A1 - Simon, M. A1 - Lisec, Jan T1 - A Flexible Tool to Correct Superimposed Mass Isotopologue Distributions in GC‐APCI‐MS Flux Experiments N2 - The investigation of metabolic fluxes and metabolite distributions within cells by means of tracer molecules is a valuable tool to unravel the complexity of biological systems. Technological advances in mass spectrometry (MS) technology such as atmospheric pressure chemical ionization (APCI) coupled with high resolution (HR), not only allows for highly sensitive analyses but also broadens the usefulness of tracer‐based experiments, as interesting signals can be annotated de novo when not yet present in a compound library. However, several effects in the APCI ion source, i.e., fragmentation and rearrangement, lead to superimposed mass isotopologue distributions (MID) within the mass spectra, which need to be corrected during data evaluation as they will impair enrichment calculation otherwise. Here, we present and evaluate a novel software tool to automatically perform such corrections. We discuss the different effects, explain the implemented algorithm, and show its application on several experimental datasets. This adjustable tool is available as an R package from CRAN. KW - Mass Spectrometry KW - Isotopologue Distribution KW - Metabolic Flux KW - R package PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547318 DO - https://doi.org/10.3390/metabo12050408 VL - 12 IS - 5 SP - 1 EP - 10 PB - MDPI AN - OPUS4-54731 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hirschberg, L. A1 - Bake, Friedrich A1 - Knobloch, K. A1 - Hulshoff, S. A1 - Hirschberg, A. T1 - Experimental investigations of indirect noise due to modulation of axial vorticity and entropy upstream of a choked nozzle N2 - An experimental cold-gas study of the response of a choked convergent–divergent nozzle to swirl perturbations is presented. The perturbations were obtained by means of upstream unsteady tangential injections into initially steady flows with different values of steady background swirl. The swirl perturbations induced changes in the axial mass-flow rate, due to either their ingestion or evacuation by the nozzle. This in turn caused a downstream acoustic response. For low-intensity background swirl the responses were found to be similar to those obtained without steady background swirl. Perturbations of a high-intensity background swirl led to different effects. For long injection times, the negative mass-flow rate modulation occurred in two stages. The first stage was similar to that of the background-swirl free case. The second stage occurred after a short time delay, and induced a much stronger negative acoustic response. This unexpected behavior suggests that a significant part of the tangentially injected fluid flows upstream inducing an accumulation of swirl, which is – after tangential injection is ceased – suddenly cleared out through the nozzle. A scaling rule for the amplitudes of these acoustic responses is reported. Furthermore, quasi-steady models, based on steady-state measurements are proposed. These models predict the downstream acoustic response amplitude within a factor two. Additionally, preliminary empirical evidence of the effect of swirl on the downstream acoustic response due to the interaction of entropy patches with a choked nozzle is reported. This was obtained by comparison of sound produced by abrupt radial or tangential sonic injection, upstream from the choked nozzle, of air from a reservoir at room temperature to that from a reservoir with a higher stagnation temperature. Because the mass flow through the nozzle does not increase instantaneously, the injected higher-enthalpy air accumulates upstream of the injection-port position in the main flow. This eventually induces a large downstream acoustic pulse when tangential injection is interrupted. The magnitude of the resulting sound pulse can reach that of a quasi-steady response of the nozzle to a large air patch with a uniform stagnation temperature equal to that of the upstream-injected heated air. This hypothesis is consistent with the fact that the initial indirect-sound pulse is identical to one obtained with unheated air injection. The authors posit that – given all of the insight gleaned from them in this case – acoustic measurements of indirect sound appear to be a potentially useful diagnostic tool. KW - Aeroacoustics KW - Indirect combustion noise KW - Vorticity noise KW - Entropy noise KW - Swirl PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-548331 DO - https://doi.org/10.1016/j.jsv.2022.116989 SN - 0022-460X VL - 532 SP - 1 EP - 22 PB - Elsevier Ltd. AN - OPUS4-54833 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jaeger, Carsten A1 - Lisec, Jan T1 - Towards Unbiased Evaluation of Ionization Performance in LC-HRMS Metabolomics Method Development N2 - As metabolomics increasingly finds its way from basic science into applied and regulatory environments, analytical demands on nontargeted mass spectrometric detection methods continue to rise. In addition to improved chemical comprehensiveness, current developments aim at enhanced robustness and repeatability to allow long-term, inter-study, and meta-analyses. Comprehensive metabolomics relies on electrospray ionization (ESI) as the most versatile ionization technique, and recent liquid chromatography-high resolution mass spectrometry (LC-HRMS) instrumentation continues to overcome technical limitations that have hindered the adoption of ESI for applications in the past. Still, developing and standardizing nontargeted ESI methods and instrumental setups remains costly in terms of time and required chemicals, as large panels of metabolite standards are needed to reflect biochemical diversity. In this paper, we investigated in how far a nontargeted pilot experiment, consisting only of a few measurements of a test sample dilution series and comprehensive statistical analysis, can replace conventional targeted evaluation procedures. To examine this potential, two instrumental ESI ion source setups were compared, reflecting a common scenario in practical method development. Two types of feature evaluations were performed, (a) summary statistics solely involving feature intensity values, and (b) analyses additionally including chemical interpretation. Results were compared in detail to a targeted evaluation of a large metabolite standard panel. We reflect on the advantages and shortcomings of both strategies in the context of current harmonization initiatives in the metabolomics field. KW - Mass Spectrometry KW - Non-targeted analysis KW - Method development PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-548065 DO - https://doi.org/10.3390/metabo12050426 VL - 12 IS - 5 SP - 1 EP - 13 PB - MDPI AN - OPUS4-54806 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Straße, Anne A1 - Gumenyuk, Andrey A1 - Rethmeier, Michael T1 - Study on Duplex Stainless Steel Powder Compositions for the Coating of thick Plates of Laser Beam Welding N2 - Duplex stainless steels combine the positive properties of its two phases, austenite and ferrite. Due to its good corrosion resistance, high tensile strength, and good ductility, it has multiple applications. But laser beam welding of duplex steels changes the balanced phase distribution in favor of ferrite. This results in a higher vulnerability to corrosion and a lower ductility. Herein, different powder combinations consisting of duplex and nickel for coating layers by laser metal deposition (LMD) are investigated. Afterward, laser tracks are welded, and the temperature cycles are measured. The ferrite content of the tracks is analyzed by feritscope, metallographic analysis, and electron backscatter diffraction. The goal is the development of a powder mixture allowing for a duplex microstructure in a two-step process, where first the edges of the weld partners are coated with the powder mixture by LMD and second those edges are laser beam welded. The powder mixture identified by the pretests is tested in the two-step process and analyzed by metallographic analysis, energy-dispersive X-ray spectroscopy, and Vickers hardness tests. The resulting weld seams show a balanced duplex microstructure with a homogenous nickel distribution and a hardness of the weld seam similar to the base material. KW - Duplex AISI 2205 KW - Laser metal deposition KW - Laser beam welding KW - Nickel KW - Stainless steels PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547024 DO - https://doi.org/10.1002/adem.202101327 SN - 1438-1656 SP - 1 EP - 11 PB - Wiley-VCH CY - Weinheim AN - OPUS4-54702 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Marko, A. A1 - Bähring, S. A1 - Raute, J. A1 - Biegler, M. A1 - Rethmeier, Michael T1 - Quality Prediction in Directed Energy Deposition Using Artificial Neural Networks Based on Process Signals N2 - The Directed Energy Deposition process is used in a wide range of applications including the repair, coating or modification of existing structures and the additive manufacturing of individual parts. As the process is frequently applied in the aerospace industry, the requirements for quality assurance are extremely high. Therefore, more and more sensor systems are being implemented for process monitoring. To evaluate the generated data, suitable methods must be developed. A solution, in this context, was the application of artificial neural networks (ANNs). This article demonstrates how measurement data can be used as input data for ANNs. The measurement data were generated using a pyrometer, an emission spectrometer, a camera (Charge-Coupled Device) and a laser scanner. First, a concept for the extraction of relevant features from dynamic measurement data series was presented. The developed method was then applied to generate a data set for the quality prediction of various geometries, including weld beads, coatings and cubes. The results were compared to ANNs trained with process parameters such as laser power, scan speed and powder mass flow. It was shown that the use of measurement data provides additional value. Neural networks trained with measurement data achieve significantly higher prediction accuracy, especially for more complex geometries. KW - DED KW - Artificial neural network KW - Process monitoring KW - Quality assurance KW - Data preparation PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547039 DO - https://doi.org/10.3390/app12083955 VL - 12 IS - 8 SP - 1 EP - 13 PB - MDPI AN - OPUS4-54703 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Geisen, O. A1 - Müller, V. A1 - Graf, B. A1 - Rethmeier, Michael T1 - Integrated weld preparation designs for the joining of L‑PBF and conventional components via TIG welding N2 - size limitations and high production costs of L-PBF make it competitive for smaller, highly complex components, while the less complex elements of an assembly are manufactured conventionally. This leads to scenarios that use L-PBF only where it’s beneficial, and it require an integration and joining to form the final product. For example, L-PBF combustion swirlers are welded onto cast parts to produce combustion systems for stationary gas turbines. Today, the welding process requires complex welding fixtures and tack welds to ensure the correct alignment and positioning of the parts for repeatable weld results. In this paper, L-PBF and milled weld preparations are presented as a way to simplify the Tungsten inert gas (TIG) welding of rotationally symmetrical geometries using integrated features for alignment and fixation. Pipe specimens with the proposed designs are manufactured in Inconel 625 using L-PBF and milling. The pipe assembly is tested and TIG welding is performed for validation. 3D scans of the pipes before and after welding are evaluated, and the weld quality is examined via metallography and computed tomography (CT) scans. All welds produced in this study passed the highest evaluation group B according to DIN 5817. Thanks to good component alignment, safe handling, and a stable welding process, the developed designs eliminate the need for part-specific fixtures, simplify the process chain, and increase the process reliability. The results are applicable to a wide range of components with similar requirements. KW - L-PBF KW - AM feature integration KW - TIG welding KW - Integrated alignment features KW - Pipe weld preparation KW - Dissimilar joints KW - Inconel 625 PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547042 DO - https://doi.org/10.1007/s40964-021-00221-2 SN - 2363-9512 SP - 1 EP - 11 PB - Springer AN - OPUS4-54704 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Anderhalten, L. A1 - Silva, R. V. A1 - Morr, A. A1 - Wang, S. A1 - Smorodchenko, A. A1 - Saatz, Jessica A1 - Traub, Heike A1 - Mueller, S. A1 - Boehm-Sturm, P. A1 - Rodriguez-Sillke, Y. A1 - Kunkel, D. A1 - Hahndorf, J. A1 - Paul, F. A1 - Taupitz, M. A1 - Sack, I. A1 - Infante-Duarte, C. T1 - Different Impact of Gadopentetate and Gadobutrol on Inflammation-Promoted Retention and Toxicity of Gadolinium Within the Mouse Brain N2 - Objectives: Using a murine model of multiple sclerosis, we previously showed that repeated administration of gadopentetate dimeglumine led to retention of gadolinium (Gd) within cerebellar structures and that this process was enhanced with inflammation. This study aimed to compare the kinetics and retention profiles of Gd in inflamed and healthy brains after application of the macrocyclic Gd-based contrast agent (GBCA) gadobutrol or the linear GBCA gadopentetate. Moreover, potential Gd-induced neurotoxicity was investigated in living hippocampal slices ex vivo. Materials and Methods: Mice at peak of experimental autoimmune encephalomyelitis (EAE; n = 29) and healthy control mice (HC; n = 24) were exposed to a cumulative dose of 20 mmol/kg bodyweight of either gadopentetate dimeglumine or gadobutrol (8 injections of 2.5 mmol/kg over 10 days). Magnetic resonance imaging (7 T) was performed at baseline as well as at day 1, 10, and 40 post final injection (pfi) of GBCAs. Mice were sacrificed after magnetic resonance imaging and brain and blood Gd content was assessed by laser ablation-inductively coupled plasma (ICP)-mass spectrometry (MS) and ICP-MS, respectively. In addition, using chronic organotypic hippocampal slice cultures, Gd-induced neurotoxicity was addressed in living brain tissue ex vivo, both under control or inflammatory (tumor necrosis factor α [TNF-α] at 50 ng/μL) conditions. Results: Neuroinflammation promoted a significant decrease in T1 relaxation times after multiple injections of both GBCAs as shown by quantitative T1 mapping of EAE brains compared with HC. This corresponded to higher Gd retention within the EAE brains at 1, 10, and 40 days pfi as determined by laser ablation-ICP-MS. In inflamed cerebellum, in particular in the deep cerebellar nuclei (CN), elevated Gd retention was observed until day 40 after last gadopentetate application (CN: EAE vs HC, 55.06 ± 0.16 μM vs 30.44 ± 4.43 μM). In contrast, gadobutrol application led to a rather diffuse Gd content in the inflamed brains, which strongly diminished until day 40 (CN: EAE vs HC, 0.38 ± 0.08 μM vs 0.17 ± 0.03 μM). The analysis of cytotoxic effects of both GBCAs using living brain tissue revealed an elevated cell death rate after incubation with gadopentetate but not gadobutrol at 50 mM. The cytotoxic effect due to gadopentetate increased in the presence of the inflammatory mediator TNF-α (with vs without TNF-α, 3.15% ± 1.18% vs 2.17% ± 1.14%; P = 0.0345). Conclusions: In the EAE model, neuroinflammation promoted increased Gd retention in the brain for both GBCAs. Whereas in the inflamed brains, efficient clearance of macrocyclic gadobutrol during the investigated time period was observed, the Gd retention after application of linear gadopentetate persisted over the entire observational period. Gadopentetate but not gadubutrol appeared to be neurotoxic in an ex vivo paradigm of neuronal inflammation. KW - Imaging KW - ICP-MS KW - Gadolinium KW - Contrast agent KW - Laser ablation KW - Brain KW - Multiple sclerosis PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546910 DO - https://doi.org/10.1097/RLI.0000000000000884 SN - 0020-9996/22/0000–0000 VL - 57 IS - 10 SP - 677 EP - 688 PB - Wolters Kluwer N.V. CY - Alphen aan den Rijn, The Netherlands AN - OPUS4-54691 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Almalla, A. A1 - Özcan Sandikcioglu, Özlem A1 - Witt, Julia T1 - In Situ Atomic Force Microscopy Analysis of the Corrosion Processes at the Buried Interface of an Epoxy-like Model Organic Film and AA2024-T3 Aluminum Alloy N2 - The application of characterization methods with high spatial resolution to the analysis of buried coating/metal interfaces requires the design and use of model systems. Herein, an epoxy-like thin film is used as a model coating resembling the epoxy-based coatings and adhesives widely used in technical applications. Spin coating is used for the deposition of a 30 nm-thin bilayer (BL) composed of poly-(ethylenimine) (PEI) and poly[(o-cresyl glycidyl ether)-co-formaldehyde] (CNER). Fourier-transform infrared spectroscopy (FTIR) results confirm that the exposure of coated AA2024-T3 (AA) samples to the corrosive electrolyte solution does not cause the degradation of the polymer layer. In situ atomic force microscopy (AFM) studies are performed to monitor local corrosion processes at the buried interface of the epoxy-like film and the AA2024-T3 aluminum alloy surface in an aqueous electrolyte solution. Hydrogen evolution due to the reduction of water as the cathodic corrosion reaction leads to local blister formation. Based on the results of the complementary energy-dispersive X-ray spectroscopy (EDX) analysis performed at the same region of interest, most of the hydrogen evolved originates at the vicinity of Mg-containing intermetallic particles. KW - Scanning Kelvin probe force microscopy KW - Aluminum alloys KW - Buried interfaces KW - In situ atomic force microscopy KW - Local corrosion PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546932 DO - https://doi.org/10.1002/adem.202101342 SN - 1438-1656 SP - 1 EP - 9 PB - Wiley VHC-Verlag AN - OPUS4-54693 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -