TY - GEN A1 - Dittmann, Daniel T1 - Experimental raw data for "Specific adsorption sites and conditions derived by thermal decomposition of activated carbons and adsorbed carbamazepine" N2 - This is the repository of all experimental raw data used in the Scientific Reports publication "Specific adsorption sites and conditions derived by thermal decomposition of activated carbons and adsorbed carbamazepine" by Daniel Dittmann, Paul Eisentraut, Caroline Goedecke, Yosri Wiesner, Martin Jekel, Aki Sebastian Ruhl, and Ulrike Braun. It includes - overview_measurements.xlsx and overview_measurements.ods containing a list of all TGA experiments (TGA, TGA-FTIR, TED-GC-MS, and ramp-kinetics) - TED-GC-MS.zip containing gas chromatography-mass spectrometry experimtent files for the Chemstation and OpenChrom - TGA.zip containing thermogravimetric analyses raw data on evolved gas analyses experiments (TGA-FTIR and TED-GC-MS) - TGA_kinetics.zip containing thermogravimetric analyses raw data on decomposition kinetic experiments (ramp-kinetics) - TGA-FTIR.zip containing Fourier-transform infrared spectroscopy series files for OMNIC - XRF.zip containing x-ray flourescence data on elemental composition KW - Adsorption KW - Aktivkohle KW - TED-GC/MS KW - Thermoanalytik PY - 2020 DO - https://doi.org/10.5281/zenodo.3716316 PB - Zenodo CY - Geneva AN - OPUS4-51902 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Waske, Anja T1 - X-ray Non-destructive testing of materials and composites N2 - Functional materials for energy conversion are important technology drivers needed for the implementation of low carbon energy. Therefore, researchers commonly focus on improving the intrinsic properties of a functional material. However, for applications, the extrinsic properties are at least as important as the intrinsic ones. Consequently, it is important to investigate and understand the external and internal structure of semi-finished products and especially defect dependent properties. The extrinsic properties may change during application and the life cycle of the material as well as through processing and molding steps. Our studies show how X-ray tomographic (XCT) investigations can contribute to structure investigations in composites and massive samples using the example of magnetic materials for energy conversion. T2 - Ruhr Universität Bochum - Seminar materials science and technology CY - Online meeting DA - 12.11.2020 KW - X-ray imaging KW - Non-destructuve testing KW - Functional materials PY - 2020 AN - OPUS4-51905 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schumacher, David T1 - From W. C. Röntgen to modern Tomography N2 - A not complete review of X-Ray related milestones from 1895 to the 21st century. T2 - ITN GW4SHM, First Training Event CY - Online Meeting DA - 23.11.2020 KW - X-Ray KW - Computed Tomography KW - Laminography KW - Digital Detector Arrays KW - Wilhelm Conrad Röntgen PY - 2020 AN - OPUS4-51881 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Ahmadi, Samim A1 - Lecompagnon, Julien A1 - Hirsch, Philipp Daniel A1 - Burgholzer, P. A1 - Jung, P. A1 - Caire, G. T1 - Laser excited super resolution thermal imaging for nondestructive inspection of internal defects N2 - A photothermal super resolution technique is proposed for an improved inspection of internal defects. To evaluate the potential of the laser-based thermographic technique, an additively manufactured stainless steel specimen with closely spaced internal cavities is used. Four different experimental configurations in transmission, reflection, stepwise and continuous scanning are investigated. The applied image post-processing method is based on compressed sensing and makes use of the block sparsity from multiple measurement events. This concerted approach of experimental measurement strategy and numerical optimization enables the resolution of internal defects and outperforms conventional thermographic inspection techniques. KW - Super resolution KW - Photothermal KW - Imaging KW - Compressed sensing KW - Internal defects KW - Nondestructive testing PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-518866 DO - https://doi.org/10.48550/arXiv.2007.03341 SN - 2331-8422 SP - 1 EP - 9 PB - Cornell University CY - Ithaca, NY AN - OPUS4-51886 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pelkner, Matthias T1 - Non-Destructive Testing - Electromagnetic Methods N2 - This presentation contains a short summary about the basics of eddy current testing and magnetic flux leakage testing. In addition, the main focus of the talk lies on the application of point-like sensors like GMR for NDT. T2 - 1st Training Event - ITN project GW4SHM CY - Online meeting DA - 23.11.2020 KW - GMR KW - Magnetic flux leakage testing KW - Eddy current testing PY - 2020 AN - OPUS4-51889 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Léonard, Fabien T1 - Overview of XCT data processing workflow for ammonium nitrate prills quantitative analysis N2 - This video presents the data processing workflow that was developed to perform the quantitative structural and morphological analysis of ammonium nitrate prills by x-ray computed tomography. KW - ANFO KW - Data processing KW - Explosives KW - Porosity KW - Surface area KW - XCT PY - 2020 DO - https://doi.org/10.5281/zenodo.3611339 PB - Zenodo CY - Geneva AN - OPUS4-51897 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Juds, Carmen A1 - Schmidt, J. A1 - Weller, Michael G. A1 - Lange, Thorid A1 - Beck, Uwe A1 - Conrad, T. A1 - Boerner, H. G. T1 - Combining phage display and next-generation sequencing for materials sciences: A case study on probing polypropylene surfaces N2 - Phage display biopanning with Illumina next-generation sequencing (NGS) is applied to reveal insights into peptide-based adhesion domains for polypropylene (PP). One biopanning round followed by NGS selects robust PP-binding peptides that are not evident by Sanger sequencing. NGS provides a significant statistical base that enables motif analysis, statistics on positional residue depletion/enrichment, and data analysis to suppress false-positive sequences from amplification bias. The selected sequences are employed as water-based primers for PP-metal adhesion to condition PP surfaces and increase adhesive strength by 100% relative to nonprimed PP. KW - Polymers KW - Polypropylene KW - Glue KW - Plastics KW - Surface Activation KW - Primer KW - Peptide Library KW - Epoxy KW - Solid-binding Peptides KW - Functionalization KW - Polymer-binding Peptides KW - Adhesion KW - Material-binding Peptides KW - Adhesives PY - 2020 DO - https://doi.org/10.1021/jacs.0c03482 SN - 0002-7863 SN - 1520-5126 VL - 142 IS - 24 SP - 10624 EP - 10628 PB - ACS CY - Washington, DC, USA AN - OPUS4-51123 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paul, Martin A1 - Tscheuschner, Georg A1 - Herrmann, Stefan A1 - Weller, Michael G. T1 - Fast Detection of 2,4,6-Trinitrotoluene (TNT) at ppt Level by a Laser-Induced Immunofluorometric Biosensor N2 - The illegal use of explosives by terrorists and other criminals is an increasing issue in public spaces, such as airports, railway stations, highways, sports venues, theaters, and other large buildings. Security in these environments can be achieved by different means, including the installation of scanners and other analytical devices to detect ultra-small traces of explosives in a very short time-frame to be able to take action as early as possible to prevent the detonation of such devices. Unfortunately, an ideal explosive detection system still does not exist, which means that a compromise is needed in practice. Most detection devices lack the extreme analytical sensitivity, which is nevertheless necessary due to the low vapor pressure of nearly all explosives. In addition, the rate of false positives needs to be virtually zero, which is also very difficult to achieve. Here we present an immunosensor system based on kinetic competition, which is known to be very fast and may even overcome affinity limitation, which impairs the performance of many traditional competitive assays. This immunosensor consists of a monolithic glass column with a vast excess of immobilized hapten, which traps the fluorescently labeled antibody as long as no explosive is present. In the case of the explosive 2,4,6-trinitrotoluene (TNT), some binding sites of the antibody will be blocked, which leads to an immediate breakthrough of the labeled protein, detectable by highly sensitive laser-induced fluorescence with the help of a Peltier-cooled complementary metal-oxide-semiconductor (CMOS) camera. Liquid handling is performed with high-precision syringe pumps and chip-based mixing-devices and flow-cells. The system achieved limits of detection of 1 pM (1 ppt) of the fluorescent label and around 100 pM (20 ppt) of TNT. The total assay time is less than 8 min. A cross-reactivity test with 5000 pM solutions showed no signal by pentaerythritol tetranitrate (PETN), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). This immunosensor belongs to the most sensitive and fastest detectors for TNT with no significant cross-reactivity by non-related compounds. The consumption of the labeled antibody is surprisingly low: 1 mg of the reagent would be sufficient for more than one year of continuous biosensor operation. KW - Airport KW - Aviation KW - Bombs KW - Terrorism KW - Biosensing KW - Continuous Sensor KW - High-Speed KW - Ultrasensitive PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-511245 DO - https://doi.org/10.3390/bios10080089 VL - 10 IS - 8 SP - 89 PB - MDPI CY - Basel AN - OPUS4-51124 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Grossegesse, M. A1 - Hartkopf, F. A1 - Nitsche, A. A1 - Schaade, L. A1 - Doellinger, J. A1 - Muth, Thilo T1 - Perspective on Proteomics for Virus Detection in Clinical Samples N2 - One of the most widely used methods to detect an acute viral infection in clinical specimens is diagnostic real-time polymerase chain reaction. However, because of the COVID-19 pandemic, mass-spectrometry-based proteomics is currently being discussed as a potential diagnostic method for viral infections. Because proteomics is not yet applied in routine virus diagnostics, here we discuss its potential to detect viral infections. Apart from theoretical considerations, the current status and technical limitations are considered. Finally, the challenges that have to be overcome to establish proteomics in routine virus diagnostics are highlighted. KW - COVID-19 KW - Mass spectrometry KW - Virus diagnostics KW - Virus detection KW - Targeted mass spectrometry KW - Proteomics PY - 2020 DO - https://doi.org/10.1021/acs.jproteome.0c00674 SN - 1535-3907 VL - 19 IS - 11 SP - 4380 EP - 4388 PB - ACS AN - OPUS4-51633 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sajulga, R. A1 - Easterly, C. A1 - Riffle, M. A1 - Mesuere, B. A1 - Muth, Thilo A1 - Mehta, S. A1 - Kumar, P. A1 - Johnson, J. A1 - Gruening, B. A1 - Schiebenhoefer, H. A1 - Kolmeder, C. A1 - Fuchs, S. A1 - Nunn, B. A1 - Rudney, J. A1 - Griffin, T. A1 - Jagtap, P. T1 - Survey of metaproteomics software tools for functional microbiome analysis N2 - To gain a thorough appreciation of microbiome dynamics, researchers characterize the functional relevance of expressed microbial genes or proteins. This can be accomplished through metaproteomics, which characterizes the protein expression of microbiomes. Several software tools exist for analyzing microbiomes at the functional level by measuring their combined proteome-level response to environmental perturbations. In this survey, we explore the performance of six available tools, to enable researchers to make informed decisions regarding software choice based on their research goals. Tandem mass spectrometry-based proteomic data obtained from dental caries plaque samples grown with and without sucrose in paired biofilm reactors were used as representative data for this evaluation. Microbial peptides from one sample pair were identified by the X! tandem search algorithm via SearchGUI and subjected to functional analysis using software tools including eggNOG-mapper, MEGAN5, MetaGOmics, MetaProteomeAnalyzer (MPA), ProPHAnE, and Unipept to generate functional annotation through Gene Ontology (GO) terms. Among these software tools, notable differences in functional annotation were detected after comparing differentially expressed protein functional groups. Based on the generated GO terms of these tools we performed a peptide-level comparison to evaluate the quality of their functional annotations. A BLAST analysis against the NCBI non-redundant database revealed that the sensitivity and specificity of functional annotation varied between tools. For example, eggNOG-mapper mapped to the most number of GO terms, while Unipept generated more accurate GO terms. Based on our evaluation, metaproteomics researchers can choose the software according to their analytical needs and developers can use the resulting feedback to further optimize their algorithms. To make more of these tools accessible via scalable metaproteomics workflows, eggNOG-mapper and Unipept 4.0 were incorporated into the Galaxy platform. KW - Bioinformatics KW - Metaproteomics KW - Mass spectrometry PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-516358 DO - https://doi.org/10.1371/journal.pone.0241503 SP - e0241503 AN - OPUS4-51635 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -