TY - JOUR A1 - Yagdjian, H. A1 - Lecompagnon, Julien A1 - Hirsch, Philipp Daniel A1 - Gurka, M. T1 - Optimization of thermal shock response spectrum as infrared thermography post-processing methodology using Latin hypercube sampling and analytical thermal N-layer model N2 - In this work, we continue to develop and investigate the Thermal Shock Response Spectrum (TSRS) method as an alternative data processing method for infrared thermography (IRT). We focus on improving the current TSRS algorithm and present an optimization methodology for finding the optimal thermal Q-factor and characteristic frequency pair, which is based on the widely applied random sampling method. We show the qualitative relationship between the determined optimal characteristic frequency and the corresponding maximum difference in diffusion length between reference and defective models, as calculated by selecting a specific one-dimensional thermal N-layer model. The investigations were performed on an inhomogeneous plate made of carbon fiber reinforced polymer (CFRP) with artificial square defects at different depths. Furthermore, two different heat sources were used: a xenon flash lamp and a laser. These sources are not only distinct by their underlying physics but also generate inherently different pulse shapes. To quantitatively estimate the contrast between defect and non-defect areas, and to compare these results with commonly used infrared thermography (IRT) data postprocessing methods such as Pulse Phase Thermography (PPT) and Thermographic Signal Reconstruction (TSR), the Tanimoto criterion (TC) and signal-to-noise ratio (SNR) were used. KW - infrared thermography KW - Composite materials KW - TSRS optimization KW - Defect identification KW - Heat source shape KW - N-layers model KW - Latin Hypercube Sampling PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614283 DO - https://doi.org/10.1016/j.infrared.2024.105582 SN - 1350-4495 VL - 143 SP - 1 EP - 15 PB - Elsevier B.V. AN - OPUS4-61428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bianchi, M. A1 - Cascavilla, A. A1 - Clavell Diaz, J. A1 - Ladu, Luana A1 - Palacino Blazquez, Barbara A1 - Menger, Pierre A1 - Staffieri, Eleonora A1 - Yilan, Gülsah Yilan T1 - Circular bioeconomy: A review of empirical practices across implementation scales N2 - The European Commission has endorsed the transition to a circular bioeconomy as a crucial initiative to achieve a sustainable and climate-neutral European Union. However, this transition is inherently complex, as it involves environmental and social risks, physical limitations, and trade-offs between different dimensions of sustainability. In this context, effective monitoring and modelling of the bioeconomy are essential tools to inform decision-making at various implementation scales. This article reviews empirical research on the monitoring and modelling of the bioeconomy and their implications for decision-making across three main implementation scales: macro (national-global level); meso (regional-city level); and micro (single product, company level). The contribution of this research is twofold: First, it explores existing gaps in the field through the lens of policy implementation levels. Research gaps include the uneven distribution of indicators among sustainability pillars, the lack of standardised monitoring frameworks at the meso and micro levels, and attribution issues in bioeconomy modelling. Second, the article outlines a comprehensive research agenda, indicating specific research lines and their relevance to different implementation scales. Key research avenues, significant at all implementation scales, include enhancing the life cycle perspective, visualising trade-offs and synergies between Sustainable Development Goals, monetising externalities, and further delving into social aspects. KW - Bioeconomy KW - Circular Economy KW - Sustainable Transition KW - Bioeconomy Monitoring Framework KW - Bioeconomy Indicators KW - Life cycle management PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612357 DO - https://doi.org/10.1016/j.jclepro.2024.143816 VL - 477 SP - 1 EP - 16 PB - Elsevier AN - OPUS4-61235 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - D'Agostino, Giancarlo A1 - Oelze, Marcus A1 - Vogl, Jochen A1 - Ghestem, Jean-Philippe A1 - Lafaurie, Nicolas A1 - Klein, Ole A1 - Pröfrock, Daniel A1 - Di Luzio, Marco A1 - Bergamaschi, Luigi A1 - Jaćimović, Radojko A1 - Oster, Caroline A1 - Irrgeher, Johanna A1 - Lancaster, Shaun T. A1 - Walch, Anna A1 - Röthke, Anita A1 - Michaliszyn, Lena A1 - Pramann, Axel A1 - Rienitz, Olaf A1 - Sara-Aho, Timo A1 - Cankur, Oktay A1 - Kutan, Derya A1 - Noireaux, Johanna T1 - Development and application of reference and routine analytical methods providing SI-traceable results for the determination of technology-critical elements in PCB from WEEE N2 - The recovery and reprocessing of technology-critical elements (TCE) present in printed circuit boards (PCB) from electrical and electronic waste is essential both for recycling valuable materials subject to supply risk and for reducing the environmental impact. Although the quantitative knowledge of TCE amounts in endof- life PCB plays a key role, there are neither matrix certified reference materials nor harmonized analytical methods available to establish the traceability of the results to the International System of Units. To fill these gaps, we developed and applied five reference analytical methods based on ICP-MS standard addition calibrations and INAA k0- and relative calibrations suitable to certify reference materials. In addition, we developed and tested six analytical methods based on more commonly used ICP-MS external standard calibrations to provide industry with routine analysis methods. Twenty TCE (Ag, Au, Co, Cu, Dy, Ga, Gd, Ge, In, La, Li, Nd, Ni, Pd, Pr, Pt, Rh, Sm, Ta and Ti) were selected as target analytes and a batch of powdered PCB was used as measurement material. An overall mutual agreement was observed among data collected by reference methods at a few percent relative uncertainty levels. Moreover, all but one of the methods developed for routine analysis demonstrated their suitability in industrial applications by producing data within ± 20% of the values established with reference methods. KW - Technology critical elements KW - Electronic waste KW - Printed circuit boards KW - Traceability KW - Uncertainty PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612416 DO - https://doi.org/10.1039/d4ja00235k SN - 1364-5544 VL - 39 IS - 11 SP - 2809 EP - 2823 PB - Royal Society of Chemistry (RSC) AN - OPUS4-61241 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lancaster, Shaun T. A1 - Sahlin, Eskil A1 - Oelze, Marcus A1 - Ostermann, Markus A1 - Vogl, Jochen A1 - Laperche, Valérie A1 - Touze, Solène A1 - Ghestem, Jean-Philippe A1 - Dalencourt, Claire A1 - Gendre, Régine A1 - Stammeier, Jessica A1 - Klein, Ole A1 - Pröfrock, Daniel A1 - Košarac, Gala A1 - Jotanovic, Aida A1 - Bergamaschi, Luigi A1 - Di Luzio, Marco A1 - D’Agostino, Giancarlo A1 - Jaćimović, Radojko A1 - Eberhard, Melissa A1 - Feiner, Laura A1 - Trimmel, Simone A1 - Rachetti, Alessandra A1 - Sara-Aho, Timo A1 - Roethke, Anita A1 - Michaliszyn, Lena A1 - Pramann, Axel A1 - Rienitz, Olaf A1 - Irrgeher, Johanna T1 - Evaluation of X-ray fluorescence for analysing critical elements in three electronic waste matrices: A comprehensive comparison of analytical techniques N2 - As the drive towards recycling electronic waste increases, demand for rapid and reliable analytical methodology to analyse the metal content of the waste is increasing, e.g. to assess the value of the waste and to decide the correct recycling routes. Here, we comprehensively assess the suitability of different x-ray fluorescence spectroscopy (XRF)-based techniques as rapid analytical tools for the determination of critical raw materials, such as Al, Ti, Mn, Fe, Co, Ni, Cu, Zn, Nb, Pd and Au, in three electronic waste matrices: printed circuit boards (PCB), light emitting diodes (LED), and lithium (Li)-ion batteries. As validated reference methods and materials to establish metrological traceability are lacking, several laboratories measured test samples of each matrix using XRF as well as other independent complementary techniques (instrumental neutron activation analysis (INAA), inductively coupled plasma mass spectrometry (ICP-MS) and ICP optical emission spectrometry (OES)) as an inter-laboratory comparison (ILC). Results highlighted key aspects of sample preparation, limits of detection, and spectral interferences that affect the reliability of XRF, while additionally highlighting that XRF can provide more reliable data for certain elements compared to digestion-based approaches followed by ICP-MS analysis (e.g. group 4 and 5 metals). A clear distinction was observed in data processing methodologies for wavelength dispersive XRF, highlighting that considering the metals present as elements (rather than oxides) induces overestimations of the mass fractions when compared to other techniques. Eventually, the effect of sample particle size was studied and indicated that smaller particle size (<200 μm) is essential for reliable determinations. KW - XRF KW - WEEE KW - PCB KW - Battery KW - LED KW - Recycling PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614060 DO - https://doi.org/10.1016/j.wasman.2024.10.015 VL - 190 SP - 496 EP - 505 PB - Elsevier B.V. AN - OPUS4-61406 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lengas, Nikolaos A1 - Müller, Karsten A1 - Schlick‐Hasper, Eva A1 - Neitsch, Marcel A1 - Johann, Sergej A1 - Zehn, Manfred W. T1 - Drop Test Simulation of Packaging for Dangerous Goods: An Investigation of Appropriate Drop Height Adjustment in Case of Deviating Packaging Gross Mass N2 - In the approval process of dangerous goods packagings, drop tests onto a flat, essentially unyielding surface are used to assess resistance against mechanical damage. International adopted regulations like ADR and RID define filling good dependent drop heights and filling degrees whilst the user needs to define the maximum gross mass to be tested and approved. Maximum packaging gross mass is defined conservatively and not reached in practice. To meet the defined gross mass in testing, using additives is permitted. However, in some cases, additives are not desirable due to packaging design or filling substance properties. This leads to deviations from the initial gross mass definition. Hence, a certain drop height adjustment is necessary to achieve the required impact loading. Laboratories frequently adjust drop height assuming a perfectly elastic collision that is inaccurate. Appropriate adjustment is not trivial due to energy conversion processes, for example, plastic deformation. In this work, a test stand KW - Corrugated fibreboard box KW - Dangerous goods packagings KW - Drop test KW - Impact target KW - Mechanical response KW - Structural dynamics PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614138 DO - https://doi.org/10.1002/pts.2858 SP - 1 EP - 18 PB - Wiley AN - OPUS4-61413 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cios, G. A1 - Winkelmann, A. A1 - Nolze, Gert A1 - Tokarski, T. A1 - Jany, B. R. A1 - Bala, P. T1 - EBSD and TKD analyses using inverted contrast Kikuchi diffraction patterns and alternative measurement geometries N2 - Electron backscatter diffraction (EBSD) patterns can exhibit Kikuchi bands with inverted contrast due to anomalous absorption. This can be observed, for example, on samples with nanoscale topography, in case of a low tilt backscattering geometry, or for transmission Kikuchi diffraction (TKD) on thicker samples. Three examples are discussed where contrast-inverted physics-based simulated master patterns have been applied to find the correct crystal orientation. As first EBSD example, self-assembled gold nanostructures made of Au fcc and Au hcp phases on single-crystal germanium were investigated. Gold covered about 12% of the mapped area, with only two thirds being successfully interpreted using standard Hough-based indexing. The remaining third was solved by brute force indexing using a contrast-inverted master pattern. The second EBSD example deals with maps collected at a non-tilted surface instead of the commonly used 70◦ tilted one. As TKD example, a jet-polished foil made of duplex stainless steel 2205 was examined. The thin part close to the hole edge producing normal-contrast patterns were standard indexed. The areas of the foil that become thicker with increasing distance from the edge of the hole produce contrast-inverted patterns. They covered three times the evaluable area and were successfully processed using the contrast-inverted master pattern. In the last example, inverted patterns collected at a non-tiled sample were mathematically inverted to normal contrast, and Hough/Radon-based indexing was successfully applied. KW - EBSD KW - TKD KW - Contrast inversion KW - Topography KW - Kikuchi diffraction PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613862 VL - 267 SP - 1 EP - 8 PB - Elsevier CY - Amsterdam AN - OPUS4-61386 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weichert, Dorina A1 - Kister, Alexander A1 - Houben, Sebastian A1 - Link, Patrick A1 - Ernis, Gunar ED - Kiyavash, Negar ED - Mooij, Joris M. T1 - Robust Entropy Search for Safe Efficient Bayesian Optimization N2 - The practical use of Bayesian Optimization (BO) in engineering applications imposes special requirements: high sampling efficiency on the one hand and finding a robust solution on the other hand. We address the case of adversarial robustness, where all parameters are controllable during the optimization process, but a subset of them is uncontrollable or even adversely perturbed at the time of application. To this end, we develop an efficient information-based acquisition function that we call Robust Entropy Search (RES). We empirically demonstrate its benefits in experiments on synthetic and real-life data. The results show that RES reliably finds robust optima, outperforming state-of-the-art algorithms. T2 - UAI 2024 CY - Barcelona, Spain DA - 15.07.2024 KW - Bayesian Optimization KW - Gaussian process KW - Active learning PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613523 UR - https://proceedings.mlr.press/v244/weichert24a.html SN - 2640-3498 VL - 244 SP - 3711 EP - 3729 PB - Proceedings of Machine Learning Research AN - OPUS4-61352 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kader, A. A1 - Snellings, J. A1 - Adams, L. C. A1 - Gottheil, P. A1 - Mangarova, D. B. A1 - Heyl, J. L. A1 - Kaufmann, Jan Ole A1 - Moeckel, J. A1 - Brangsch, J. A1 - Auer, T. A. A1 - Collettini, F. A1 - Sauer, F. A1 - Hamm, B. A1 - Käs, J. A1 - Sack, I. A1 - Makowski, M. R. A1 - Braun, J. T1 - Sensitivity of magnetic resonance elastography to extracellular matrix and cell motility in human prostate cancer cell line-derived xenograft models N2 - Prostate cancer (PCa) is a significant health problem in the male population of the Western world. Magnetic resonance elastography (MRE), an emerging medical imaging technique sensitive to mechanical properties of biological tissues, detects PCa based on abnormally high stiffness and viscosity values. Yet, the origin of these changes in tissue properties and how they correlate with histopathological markers and tumor aggressiveness are largely unknown, hindering the use of tumor biomechanical properties for establishing a noninvasive PCa staging system. To infer the contributions of extracellular matrix (ECM) components and cell motility, we investigated fresh tissue specimens from two PCa xenograft mouse models, PC3 and LNCaP, using magnetic resonance elastography (MRE), diffusion-weighted imaging (DWI), quantitative histology, and nuclear shape analysis. Increased tumor stiffness and impaired water diffusion were observed to be associated with collagen and elastin accumulation and decreased cell motility. Overall, LNCaP, while more representative of clinical PCa than PC3, accumulated fewer ECM components, induced less restriction of water diffusion, and exhibited increased cell motility, resulting in overall softer and less viscous properties. Taken together, our results suggest that prostate tumor stiffness increases with ECM accumulation and cell adhesion - characteristics that influence critical biological processes of cancer development. MRE paired with DWI provides a powerful set of imaging markers that can potentially predict prostate tumor development from benign masses to aggressive malignancies in patients. Statement of significance: Xenograft models of human prostate tumor cell lines, allowing correlation of microstructure-sensitive biophysical imaging parameters with quantitative histological methods, can be investigated to identify hallmarks of cancer. KW - Magnetic resonance elastography KW - Quantitative histology KW - Prostate cancer KW - Stiffness KW - Fluidity KW - Apparent diffusion coefficient KW - Collagen KW - Elastin KW - Nuclear shape PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618361 DO - https://doi.org/10.1016/j.bioadv.2024.213884 SN - 2772-9508 VL - 161 SP - 1 EP - 12 PB - Elsevier CY - Amsterdam AN - OPUS4-61836 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schilling, Markus A1 - Bruns, Sebastian A1 - Bayerlein, Bernd A1 - Kryeziu, Jehona A1 - Schaarschmidt, Jörg A1 - Waitelonis, Jörg A1 - Dolabella Portella, Pedro A1 - Durst, Karsten T1 - Seamless Science: Lifting Experimental Mechanical Testing Lab Data to an Interoperable Semantic Representation N2 - The scientific landscape is undergoing rapid transformations with the advent of the digital age which revolutionizes research methodologies. In materials science and engineering, an adoption of modern data management techniques is desirable to maximize the efficiency and accessibility of research efforts. Traditional practices in testing laboratories are usually inadequate for efficient data acquisition and utilization as they lead to local storage and difficulty in publication and correlation with other results. Electronic laboratory notebooks (ELNs) are promising prospects in this respect. Semantic concepts and ontologies enhance interoperability by standardizing experimental data representation. An in‐laboratory pipeline seamlessly integrating an ELN with transformation scripts to convert experimental into interoperable data in a machine‐actionable format is created in this study as a proof of concept. Tensile test results and the corresponding tensile test ontology are used exemplary. Linking ELN data to semantic concepts enriches the stored information while improving interpretability and reusability. Involving undergraduate students builds a bridge between theory and practice during their training and promotes their digital skills. This study underscores the potential of ELNs and knowledge representations as beneficial means toward improved data management practices that enhance collaborative research and education while ensuring compatibility with evolving standards and technologies. KW - Semantic Data KW - Data Integration KW - Tensile Test Ontology KW - Electronic Lab Notebook KW - Wissensrepräsentation KW - Education PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-618251 DO - https://doi.org/10.1002/adem.202401527 SP - 1 EP - 13 PB - Wiley VHC-Verlag AN - OPUS4-61825 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bosc-Bierne, Gaby A1 - Ewald, Shireen A1 - Kreuzer, Oliver J. A1 - Weller, Michael G. T1 - Efficient Quality Control of Peptide Pools by UHPLC and Simultaneous UV and HRMS Detection N2 - Peptide pools consist of short amino acid sequences and have proven to be versatile tools in various research areas in immunology and clinical applications. They are commercially available in many different compositions and variants. However, unlike other reagents that consist of only one or a few compounds, peptide pools are highly complex products which makes their quality control a major challenge. Quantitative peptide analysis usually requires sophisticated methods, in most cases isotope-labeled standards and reference materials. Usually, this would be prohibitively laborious and expensive. Therefore, an approach is needed to provide a practical and feasible method for quality control of peptide pools. With insufficient quality control, the use of such products could lead to incorrect experimental results, worsening the well-known reproducibility crisis in the biomedical sciences. Here we propose the use of ultra-high performance liquid chromatography (UHPLC) with two detectors, a standard UV detector at 214 nm for quantitative analysis and a high-resolution mass spectrometer (HRMS) for identity confirmation. To be cost-efficient and fast, quantification and identification are performed in one chromatographic run. An optimized protocol is shown, and different peak integration methods are compared and discussed. This work was performed using a peptide pool known as CEF advanced, which consists of 32 peptides derived from cytomegalovirus (CMV), Epstein–Barr virus (EBV) and influenza virus, ranging from 8 to 12 amino acids in length. N2 - Peptidpools bestehen aus kurzen Aminosäuresequenzen und haben sich als vielseitige Werkzeuge in verschiedenen Forschungsbereichen der Immunologie und bei klinischen Anwendungen erwiesen. Sie sind in vielen verschiedenen Zusammensetzungen und Varianten im Handel erhältlich. Im Gegensatz zu anderen Reagenzien, die nur aus einer oder wenigen Verbindungen bestehen, sind Peptidpools jedoch hochkomplexe Produkte, was ihre Qualitätskontrolle zu einer großen Herausforderung macht. Die quantitative Peptidanalyse erfordert in der Regel ausgefeilte Methoden, in den meisten Fällen isotopenmarkierte Standards und Referenzmaterialien. Dies ist in der Regel sehr aufwändig und teuer. Daher wird ein Ansatz benötigt, der eine praktische und praktikable Methode zur Qualitätskontrolle von Peptidpools bietet. Bei unzureichender Qualitätskontrolle könnte die Verwendung solcher Produkte zu falschen Versuchsergebnissen führen, was das bekannte Problem der Reproduzierbarkeit in den biomedizinischen Wissenschaften noch verschärfen würde. Hier schlagen wir die Verwendung der Ultrahochleistungs-Flüssigkeitschromatographie (UHPLC) mit zwei Detektoren vor, einem Standard-UV-Detektor bei 214 nm für die quantitative Analyse und einem hochauflösenden Massenspektrometer (HRMS) für die Identitätsbestätigung. Um kosteneffizient und schnell zu sein, werden Quantifizierung und Identifizierung in einem einzigen chromatographischen Lauf durchgeführt. Es wird ein optimiertes Protokoll gezeigt, und es werden verschiedene Peak-Integrationsmethoden verglichen und diskutiert. Für diese Arbeit wurde ein Peptidpool verwendet, der als CEF advanced bekannt ist und aus 32 Peptiden besteht, die vom Cytomegalovirus (CMV), Epstein-Barr-Virus (EBV) und Influenzavirus stammen und zwischen 8 und 12 Aminosäuren lang sind. KW - Synthetic peptides KW - Quality control KW - Impurites KW - Byproducts KW - Degradation KW - Mass spectrometry KW - Orbitrap PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602299 DO - https://doi.org/10.3390/separations11050156 SN - 2297-8739 VL - 11 IS - 5 SP - 1 EP - 18 PB - MDPI CY - Basel AN - OPUS4-60229 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -