TY - JOUR A1 - Lederer, J. A1 - Syc, M. A1 - Simon, Franz-Georg A1 - Quina, M. A1 - Hyks, J. A1 - Huber, F. A1 - Funari, V. A1 - Fellner, J. A1 - Braga, R. A1 - Bontempi, E. A1 - Bogush, A. A1 - Blasenbauer, D. T1 - What waste management can learn from the traditional mining sector: Towards an integrated assessment and reporting of anthropogenic resources N2 - Many organizations in Europe collect data and perform research on municipal solid waste and the secondary raw materials that can be produced from them through recycling, urban mining, or landfill mining.However, the information generated and presented thereby is often highly aggregated, while research activities are many a time isolated. Both reduce the usability of the data and information generated. In order to better structure the knowledge generation on secondary raw materials production from municipal solid waste, we suggest to learn from the traditional raw materials mining Industry how to perform an integrated assessment and reporting of anthropogenic resources. This is exemplarily shown for the case of the anthropogenic resource municipal solid waste incineration bottom ash and airpollution control residues. A network of expert institutions from countries throughout Europe was build up to compile the information on legal and technological aspects for the recovery of different secondary raw materials from these residues, including construction minerals, metals, and salts. We highlight in our article the strength of the combined knowledge of an expert network not only on legal and technological, but also local and site-specific aspects of the recovery of secondary raw materials. By doing so, we hope to kick-off a discussion for how to organize and implement a structure for a better management of knowledge on anthropogenic resources, in order to provide a sustainable supply of secondary raw materials for a greener and more circular economy. KW - Waste management KW - Resources KW - Mining PY - 2020 DO - https://doi.org/10.1016/j.wasman.2020.05.054 VL - 113 SP - 154 EP - 156 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-50876 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scholz, Philipp A1 - Putna-Nimane, I. A1 - Barda, I. A1 - Liepina-Leimane, I. A1 - Strode, E. A1 - Kileso, A. A1 - Esiukova, E. A1 - Chubarenko, B. A1 - Purina, I. A1 - Simon, Franz-Georg T1 - Environmental impact of geosynthetics in coastal protection N2 - Geosynthetic materials are applied in measures for coastal protection. Weathering or any damage of constructions, as shown by a field study in Kaliningrad Oblast (Russia), could lead to the littering of the beach or the sea (marine littering) and the discharge of possibly harmful additives into the marine environment. The ageing behavior of a widely used geotextile made of polypropylene was studied by artificial accelerated ageing in water-filled autoclaves at temperatures of 30 to 80 °C and pressures of 10 to 50 bar. Tensile strength tests were used to evaluate the progress of ageing, concluding that temperature rather than pressure was the main factor influencing the ageing of geotextiles. Using a modified Arrhenius equation, it was possible to calculate the half-life for the loss of 50% of the strain, which corresponds to approximately 330 years. Dynamic surface leaching and ecotoxicological tests were performed to determine the possible release of contaminants. No harmful effects on the test organisms were observed. KW - Geosynthetics KW - Geotextiles KW - Dynamic surface leaching test KW - Artificial ageing KW - Marine littering PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520576 DO - https://doi.org/10.3390/ma14030634 SN - 1996-1944 VL - 14 IS - 3 (Special issue: Measurement of the environmental impact of materials) SP - 634-1 EP - 634-13 PB - MDPI CY - Basel AN - OPUS4-52057 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chubarenko, B. A1 - Kileso, A. A1 - Esiukova, E. A1 - Pinchuk, V. A1 - Simon, Franz-Georg T1 - Dataset on geosynthetic material debris contamination of the South-East Baltic shore N2 - The database gives information on the contamination of the shore of the South-Eastern Baltic with the debris of geosynthetic materials for the period 2018–2020. This new type of coastal pollution enters the natural environment due to the destruction of coastal protection structures and construction activities. The database contains sections: (1) a list of types of geosynthetic material residues, their photographic images and photographs illustrating examples of finds in natural conditions [1 List_geosynthetic_debris_SEB], (2) monitoring data on the contamination of the beach strip with the debris of geotextiles, braids from gabions, geocontainers (big bags), geocells and geogrids for the beaches of the South-Eastern Baltic for the period 2018–2020 [2 Monitoring_geosynthetic_debris_SEB]; (3) statistical distributions of the found geosynthetic debris by size [3 Scales_geosynthetic_debris_SEB] and (4) results of test surveys on the shores of Lithuania and Poland adjacent to Kaliningrad Oblast. All data refer to the beaches of the Kaliningrad Oblast (Russia), including the Russian parts of the Vistula and Curonian Spits, but also contains information on a one-time assessment of the pollution of the beaches of the adjacent territories: the Polish shore from the Poland-Russia border on the Vistula Spit to the mouth of the Vistula River, the Lithuanian shore from the border Lithuania-Russia on the Curonian Spit to the border of Latvia-Lithuania. Materials were collected during field surveys within the ERANET-RUS_Plus joint project EI-GEO, ID 212 (RFBR 18-55-76002 ERA_a, BMBF 01DJ18005). KW - Geosynthetics KW - Geotextiles KW - Contamination KW - Marine littering PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-541947 DO - https://doi.org/10.1016/j.dib.2021.107778 SN - 2352-3409 VL - 40 SP - 1 EP - 7 PB - Elsevier Inc. CY - Amsterdam AN - OPUS4-54194 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chubarenko, B. A1 - Domnin, D. A1 - Simon, Franz-Georg A1 - Scholz, Philipp A1 - Leitsin, V. A1 - Tovpinets, A. A1 - Karmanov, K. A1 - Esiukova, E. T1 - Change over Time in theMechanical Properties of Geosynthetics Used in Coastal Protection in the South-Eastern Baltic N2 - The most massive design on the Baltic shore used geosynthetic materials, the landslide protection construction in Svetlogorsk (1300 m long, 90,000 m2 area, South-Eastern Baltic, Kaliningrad Oblast, Russian Federation) comprises the geotextile and the erosion control geomat coating the open-air cliff slopes. Due to changes in elastic properties during long-term use in the open air, as well as due to its huge size, this structure can become a non-negligible source of microplastic pollution in the Baltic Sea. Weather conditions affected the functioning of the structure, so it was assessed that geosynthetic materials used in this outdoor (open-air) operation in coastal protection structures degraded over time. Samples taken at points with different ambient conditions (groundwater outlet; arid places; exposure to the direct sun; grass cover; under landslide) were tested on crystallinity and strain at break. Tests showed a 39–85% loss of elasticity of the polymer filaments after 3 years of use under natural conditions. Specimens exposed to sunlight are less elastic and more prone to fail, but not as much as samples taken from shaded areas in the grass and under the landslide, which were the most brittle. KW - Geosynthetics KW - Microplastic KW - Degradation PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567978 UR - https://www.mdpi.com/2077-1312/11/1/113 DO - https://doi.org/10.3390/jmse11010113 SN - 2077-1312 VL - 11 IS - 1 SP - 1 EP - 14 PB - MDPI CY - Basel AN - OPUS4-56797 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scheuschner, Nils A1 - Heinrichsdorff, F. A1 - Oster, Simon A1 - Uhlmann, E. A1 - Polte, J. A1 - Gordei, A. A1 - Hilgenberg, Kai T1 - In-situ monitoring of the laser powder bed fusion process by thermography, optical tomography and melt pool monitoring for defect detection N2 - For the wide acceptance of the use of additive manufacturing (AM), it is required to provide reliable testing methods to ensure the safety of the additively manufactured parts. A possible solution could be the deployment of in-situ monitoring during the build process. However, for laser powder bed fusion using metal powders (PBF-LB/M) only a few in-situ monitoring techniques are commercially available (optical tomography, melt pool monitoring), which have not been researched to an extent that allows to guarantee the adherence to strict quality and safety standards. In this contribution, we present results of a study of PBF-LB/M printed parts made of the nickel-based superalloy Haynes 282. The formation of defects was provoked by local variations of the process parameters and monitored by thermography, optical tomography and melt pool monitoring. Afterwards, the defects were characterized by computed tomography (CT) to identify the detection limits of the used in-situ techniques. T2 - Lasers in Manufacturing Conference 2023 CY - Munich, Germany DA - 26.06.2023 KW - Thermography KW - Optical tomography KW - Melt-pool-monitoring KW - Laser powder bed fusion KW - Haynes 282 KW - Additive Manufacturing PY - 2023 UR - https://www.wlt.de/lim2023-proceedings/system-engineering-and-process-control SP - 1 EP - 10 AN - OPUS4-58466 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - Becher, S. A1 - Dierckes, G. A1 - Langhammer, Nicole A1 - Cossmer, Antje A1 - von der Au, Marcus A1 - Göckener, B. A1 - Fliedner, A. A1 - Rüdel, H. A1 - Koschorreck, J. A1 - Meermann, Björn T1 - Quantification and characterization of PFASs in suspended particulate matter (SPM) of German rivers using EOF, dTOPA, (non-)target HRMS N2 - In this study, we compare analytical methods for PFAS determination–target analysis, non-target screening (NTS), direct total oxidizable precursor assay (dTOPA) and extractable organically bound fluorine (EOF). Therefore, suspended particulate matter (SPM) samples from German rivers at different locations in time series from2005 to 2020 were analyzed to investigate temporal and spatially resolved trends. In this study 3 PFAS mass balances approaches were utilized: (i) PFAA target vs. PFAS dTOPA, (ii) PFAS target vs. EOF and (iii) PFAS target vs. PFAS dTOPA vs. organofluorines NTS vs. EOF. Mass balance approach (i) revealed high proportions of precursor substances in SPM samples. For the time resolved analysis an increase from 94% (2005) to 97% in 2019 was observable. Also for the spatial resolved analysis precursor proportions were high with >84% at all sampling sites. Mass balance approach (ii) showed that the unidentified EOF (uEOF) fraction increased over time from82% (2005) to 99% (2019). Furthermore, along the river courses the uEOF increased. In the combined mass balance approach (iii) using 4 different analytical approaches EOF fractions were further unraveled. The EOF pattern was fully explainable at the sampling sites at Saar and Elbe rivers. For the time resolved analysis, an increased proportion of the EOF was now explainable. However, still 27% of the EOF for the time resolved analysis and 25% of the EOF for the spatial resolved analysis remained unknown. Therefore, in a complementary approach, both the EOF and dTOPA reveal unknown gaps in the PFAS mass balance and are valuable contributions to PFAS risk assessment. Further research is needed to identify organofluorines summarized in the EOF parameter. KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - SPM KW - LC-MS/MS PY - 2023 DO - https://doi.org/10.1016/j.scitotenv.2023.163753 SN - 1879-1026 SN - 0048-9697 VL - 885 SP - 1 EP - 12 PB - Elsevier Science CY - Amsterdam AN - OPUS4-57429 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zweigle, J. A1 - Schmidt, A. A1 - Bugsel, B. A1 - Vogel, Christian A1 - Simon, Fabian A1 - Zwiener, C. T1 - Perfluoroalkyl acid precursor or weakly fluorinated organic compound? A proof of concept for oxidative fractionation of PFAS and organofluorines N2 - Organofluorine mass balance approaches are increasingly applied to investigate the occurrence of per- and polyfluoroalkyl substances (PFAS) and other organofluorines in environmental samples more comprehensively. Usually, complex samples prevent the identification and quantification of every fluorine-containing molecule. Consequently, large unidentified fractions between fluorine sum parameters such as extractable organic fluorine (EOF) and the sum of quantified analytes are frequently reported. We propose using oxidative conversion to separate (unidentified) weakly fluorinated compounds (e.g., pesticides, pharmaceuticals) from PFAA-precursors (perfluoroalkyl chain lengths ≥ C6). We show with three organofluorine model substances (flufenamic acid, diflufenican, pantoprazole) that CF3-groups or aromatic fluorine can be quantitatively converted to inorganic fluoride and trifluoroacetic acid (TFA) by applying PhotoTOP oxidation (UV/TiO2). The principle of fluorine separation in mixtures is demonstrated by the oxidation of the three weakly fluorinated compounds together with the PFAA-precursor 6:2/6:2 fluorotelomer mercaptoalkyl phosphate diester (FTMAP). After oxidation, the products F− and TFA were separated from PFCAs ( C4) by SPE, and the fractions were analyzed individually. Closed mass balances both with and without the addition of organic matrix were achieved. Eventually, the fluorine balance was verified by total fluorine measurements with combustion ion chromatography (CIC). The proposed methods should be considered a proof of concept to potentially explain unidentified fractions of the EOF, especially if compounds with low fluorine content such as pesticides, pharmaceuticals, and their transformation products contribute largely to the EOF. Future studies are needed to show the applicability to the complexity of environmental samples. Graphical Abstract KW - Combustion Ion Chromatography KW - Per- and Polyfluoroalkyl substances (PFAS) PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613429 DO - https://doi.org/10.1007/s00216-024-05590-5 SP - 1 EP - 10 PB - Springer Science and Business Media LLC AN - OPUS4-61342 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Herbig, B. A1 - Jörres, R. A. A1 - Schierl, R. A1 - Simon, M. A1 - Langner, Jeanette A1 - Seeger, Stefan A1 - Nowak, D. A1 - Karrasch, S. T1 - Psychological and cognitive effects of laser printer emissions: A controlled exposure study N2 - The possible impact of ultrafine particles from laser printers on human health is controversially discussed although there are persons reporting substantial symptoms in relation to these emissions. A randomized, single-blinded, cross-over experimental design with two exposure conditions (high-level and low-level exposure) was conducted with 23 healthy subjects, 14 subjects with mild asthma, and 15 persons reporting symptoms associated with laser printer emissions. To separate physiological and psychological effects, a secondary physiologically based categorization of susceptibility to particle effects was used. In line with results from physiological and biochemical assessments, we found no coherent, differential, or clinically relevant effects of different exposure conditions on subjective complaints and cognitive performance in terms of attention, short-term memory, and psychomotor performance. However, results regarding the psychological characteristics of participants and their situational perception confirm differences between the participants groups: Subjects reporting symptoms associated with laser printer emissions showed a higher psychological susceptibility for adverse reactions in line with previous results on persons with multiple chemical sensitivity or idiopathic environmental intolerance. In conclusion, acute psychological and cognitive effects of laser printer emissions were small and could be attributed only to different participant groups but not to differences in exposure conditions in terms of particle number concentrations. KW - Cognitive performance KW - Exposure KW - Idiopathic environmental intolerance KW - Laser printer emission KW - Multiple chemical sensitivity KW - Subjective complaints PY - 2018 DO - https://doi.org/10.1111/ina.12429 SN - 1600-0668 SN - 0905-6947 VL - 28 IS - 1 SP - 112 EP - 124 PB - John Wiley & Sons, Inc. CY - 111 RIVER ST, HOBOKEN 07030-5774, NJ USA AN - OPUS4-43945 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rohn, H. A1 - Simon, Franz-Georg A1 - Schmidt, M. A1 - Giegrich, J. A1 - Oberender, C. A1 - Denz, W. A1 - Niebaum, A. ED - Ludwig, C. ED - Matasci, C. T1 - The Guideline Series VDI 4800 Resource Efficiency: An Approach for Increasing Resource Efficiency with Aim of Conservation of Natural Resources in the Industrial Sector N2 - In 2011, the Association of German Engineers (VDI) started working on a set of guidelines towards increased resource efficiency. These guidelines represent a framework that defines resource efficiency and outlines considerations for the producing industry. A special guideline for SMEs is included as well as guidelines on methodologies for evaluating resource use indicators, such as the cumulative raw material demand of products and production systems. Resource efficiency, defined here as the relationship between a specific benefit or use and the natural resources that need to be spent or consumed to attain this benefit or use. It can be evaluated by defining a function which expresses the specific benefit and quantifies the resource requirements through a set of indicators (use of raw materials, energy, water, land and ecosystem services including sinks). The results from this also depend on the system boundary parameters and the allocation rules for by-products and waste treatment options. Optimising resource use is possible at all stages of a product’s or production system’s life cycle chain (raw material extraction, production and manufacturing, use and consumption, and the end-of-life stage). VDI guidelines are widely accepted across Germany’s industrial sector and therefore represent an important means of mainstreaming resource efficiency in this target area. As well as providing a methodological framework, the guidelines describe strategies and measures towards increasing resource efficiency, and they enable industrial producers and service providers to identify potential areas of improvement. The full article presents an overview of the methodology and contents of these guidelines and discusses their impact in achieving absolute reductions in the industrial use of natural resources. KW - Resource efficiency KW - Life cycle thinking KW - Products and production systems KW - Standardization PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-426443 UR - https://www.wrforum.org/wrfpublicationspdf/boosting-resource-productivity/ SN - 978-3-9521409-7-0 SP - 125 EP - 132 PB - Paul Scherrer Institute CY - Villigen PSI, Switzerland ET - 1 AN - OPUS4-42644 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gottu Mukkula, A. R. A1 - Engell, S. A1 - Kern, Simon A1 - Guhl, Svetlana A1 - Meyer, Klas A1 - Maiwald, Michael T1 - PAT-basierte iterative Optimierung der Fahrweise eines kontinuierlichen organischen Syntheseprozesses N2 - Im Zuge der Digitalisierung der Prozessindustrie werden zunehmend modellbasiere Echtzeitoptimierungsverfahren eingesetzt, sog. „Advanced Process Control“. Mithilfe der sogenannten Modifier-Adaptation ist eine iterative Betriebspunktoptimierung auch mit ungenauen Modellen möglich, sofern zuverlässige Prozessdaten zur Verfügung stehen. Am Beispiel eines smarten Online-NMR-Sensors, der in einem EU-Projekt von der BAM entwickelt wurde, konnte das Konzept in einer modularen Produktionsanlage zur Herstellung eines pharmazeutischen Wirkstoffs erfolgreich getestet werden. T2 - ProcessNet-Jahrestagung und 33. DECHEMA-Jahrestagung der Biotechnologen CY - Aachen, Germany DA - 10.09.2018 KW - Prozessanalytik KW - Echtzeitoptimierungsverfahren KW - Modifier-Adaptation KW - Prozess-Steuerung KW - Betriebspunktoptimierung KW - CONSENS PY - 2018 UR - https://onlinelibrary.wiley.com/doi/abs/10.1002/cite.201855233 DO - https://doi.org/10.1002/cite.201855233 SN - 0009-286X VL - 90 SP - 1237 EP - 1237 PB - Wiley-VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-45902 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - King, R. A1 - Maiwald, Michael T1 - Raw data of pilot plant runs for CONSENS project (Case study 1) N2 - In case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and o-FNB) were mixed with Lithium-base (LiHMDS) in a continuous modular plant to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were subject to variation to drive the plant to its optimum. The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26, 2017-09-28, 2017-10-10, 2017-10-17. In the following the contents of the files are explained. KW - Process Analytical Technology KW - Multivariate Data Analysis KW - Nuclear Magnetic Resonance KW - Near Infrared Spectroscopy KW - Continuous Manufacturing KW - CONSENS PY - 2018 DO - https://doi.org/10.5281/zenodo.1438233 PB - Zenodo CY - Geneva AN - OPUS4-48063 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nusser, A. A1 - Osterloh, Kurt A1 - Freitag, M. A1 - Simon, S. ED - Reiche, I. T1 - Analyse von mit Carbolineum belastetem Kulturgut und modellhafte Erprobung konservatorischer Dekontaminierung N2 - The baroque epitaph Reyer (1704) at the St. Laurentius church in Tönning was treated with carbolineum as a wood preservation agent in 1903. The subsequent constant migration of carbolineum through the layers of paint to the surface has had a detrimental effect on the aesthetic appearance of the epitaph. Carbolineum is an oily, water-insoluble, flammable, dark brown mixture of coal tar oil components. Due to its content of polycyclic aromatic hydrocarbons (PAH), which are classified as carcinogenic and harmful to the environment, the use of carbolineum has been forbidden. The aim of the project is to develop an exemplary Conservation treatment (hat will reduce the toxic contents of the historical wooden object. The new method should be applicable to similar objects that are also contaminated with carbolineum. The historic carbolineum was identified by the GC-MS method and the X-Ray computed tomography revealed the biological wood damage and previous restoration measures. Several decontamination methods such as the extraction with supercritical C02, with dichloromethane vapour/fluids, with 1,3-dioxolane or with petrol ether by vaccum impregnation were investigated. This project is founded by the Deutsche Bundesstiftung Umwelt (DBU). KW - Kulturgut aus Holz KW - Holzschutz KW - Computertomographie PY - 2014 SN - 0344-5089 VL - 22 SP - 77 EP - 82 PB - Rathgen-Forschungslabor CY - Berlin AN - OPUS4-32516 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmitt, R. A1 - Koerfer, F. A1 - Sadowny, O. A1 - Zimmermann, J. A1 - Krüger-Sehm, R. A1 - Xu, M. A1 - Dziomba, T. A1 - Koenders, L. A1 - Goch, G. A1 - Tausendfreund, A. A1 - Patzelt, S. A1 - Simon, S. A1 - Rockstroh, L. A1 - Bellon, Carsten A1 - Staude, Andreas A1 - Woias, P. A1 - Goldschmidtböing, F. A1 - Rabold, M. T1 - Virtuelle Messgeräte - Definition und Stand der Entwicklung N2 - Die Mikro- und Nanotechnologie gehört zu den Schlüsseltechnologien des 21. Jahrhunderts mit hohen Wachstumsprognosen, wie auch die im Auftrag des BMBF durchgeführte Studie “Nanotechnologie als wirtschaftlicher Wachstumsmarkt” von 2004 ausführlich darstellt. Aus diesem Trend resultiert ein steigender Bedarf an Messsystemen, die Nanostrukturen prozessnah bzw. im Fertigungsprozess charakterisieren können. Virtuelle Messgeräte liefern Erkenntnisse zur Entwicklung neuartiger Messsysteme, Analyse und Optimierung bestehender Verfahren sowie die Bestimmung der Messunsicherheit und modellbasierten Korrektur systematischer Fehler. Der virtuelle Messprozess umfasst neben dem Messmittel auch die Probe und die Wechselwirkungen zwischen beiden. In diesem Beitrag werden virtuelle Messgeräte vorgestellt sowie deren Anwendung diskutiert. N2 - Micro- and nanotechnology experienced a high economic growth in recent years. This yields in a growing demand for measuring instruments which are closely linked to the production process. Virtual measuring instruments provide knowledge for the development of new systems, the analysis and optimization of established devices as well as the determination of the uncertainty in measurement. The virtual measuring process consists of the measuring instrument, the sample, and the interaction between both. In this article examples of current developments of virtual instruments are presented and their way of utilization is discussed. KW - Virtuelle Messtechnik KW - Simulation KW - Messunsicherheit KW - Virtual metrology KW - Measurement uncertainty PY - 2008 DO - https://doi.org/10.1524/teme.2008.0872 SN - 0340-837X SN - 0178-2312 SN - 0171-8096 VL - 75 IS - 5 SP - 298 EP - 310 PB - Oldenbourg CY - München AN - OPUS4-17569 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kienle, L. A1 - Duppel, V. A1 - Lembke, G. A1 - Mogwitz, B. A1 - Janek, J. A1 - Kreutzbruck, Marc A1 - Simon, A. T1 - Microstructure and magnetoresistance of heterogeneous gold-rich Ag3Au1.1Te2 N2 - Dispersions of very small non-magnetic metal particles or inclusions in a non-magnetic semiconductor matrix are well known to produce unusually large and linear magnetoresistance effects. So far these materials were limited to the binary silver-rich chalcogenides Ag2Se and Ag2Te. In this contribution Ag3AuTe2 was selected as a first candidate for a ternary matrix material, thus offering enhanced capabilities for the generation of heterogeneous microstructure and spatially varying composition on the nanoscale. In gold-rich Ag3Au1.1Te2 two kinds of inhomogeneities are present, namely Au deposits with a size on the micron scale and an inhomogeneous distribution of Au and Ag within the matrix. The matrix consists of micron-sized grains with the structure type of Ag3AuTe2 as studied by electron microscopy. Like the binary silver chalcogenide phases, the material also shows a large and linear magnetoresistance effect. The transversal magnetoresistance effect was measured between 20 K and 270 K in magnetic fields up to B = 5 T. The results are discussed on the basis of existing models for a large and linear positive MR effect. KW - Petzite KW - Magnetosensor KW - Electron microscopy KW - Nonstoichiometry KW - Magnetoresistance PY - 2010 DO - https://doi.org/10.1016/j.solidstatesciences.2010.07.029 SN - 1293-2558 SN - 1873-3085 VL - 12 IS - 10 SP - 1770 EP - 1778 PB - Elsevier CY - Amsterdam AN - OPUS4-22281 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Böhm, J. A1 - Debreczeni, Á. A1 - Gombkötö, I. A1 - Simon, Franz-Georg A1 - Csövári, M. ED - Roehl, K. T1 - Laboratory tests using natural groundwater KW - Groundwater remediation KW - Permeable Reactive Barrier KW - Long-term Performance KW - Elemental Iron KW - Hydroxyapatite PY - 2005 SN - 0-444-51536-4 N1 - Serientitel: Trace metals and other contaminates in the environment – Series title: Trace metals and other contaminates in the environment IS - 7 SP - 111 EP - 136 PB - Elsevier CY - Amsterdam AN - OPUS4-7545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Meggyes, Tamás A1 - Simon, Franz-Georg A1 - Tünnermeier, Torge A1 - Debreczeni, Á. T1 - Fortschritte in der Bautechnik der reaktiven Wände T2 - 10. Braunschweiger Deponieseminar ; 10. Braunschweiger Deponieseminar Qualitätssicherung und Innovation CY - Braunschweig, Deutschland DA - 2002-03-21 PY - 2002 SN - 3-927610-60-7 N1 - Serientitel: Mitteilung des Instituts für Grundbau und Bodenmechanik - Technische Universität Braunschweig – Series title: Mitteilung des Instituts für Grundbau und Bodenmechanik - Technische Universität Braunschweig IS - 69 SP - 453 EP - 474 PB - Inst. für Grundbau und Bodenmechanik, TU Braunschweig CY - Braunschweig AN - OPUS4-1599 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Scholz, Philipp A1 - Kalbe, Ute A1 - Caliebe, W. A1 - Tayal, A. A1 - Vasala, S. J. A1 - Simon, Franz-Georg T1 - Speciation of antimony and vanadium in municipal solid waste incineration ashes analyzed by XANES spectroscopy N2 - The use of ashes from municipal solid waste incineration as secondary building materials is an important pillar for the circular economy in Germany. However, leaching of potential toxic elements from these materials must be at environmentally acceptable levels. Normally, a three-month ageing period immobilizes most hazardous heavy metals, but antimony (Sb) and vanadium (V) showed previously unusual leaching. In order to clarify the mechanisms, we analyzed the Sb and V species in various bottom and fly ashes from municipal waste incineration by XANES spectroscopy. Antimony oxidizes from Sb(+ III) species used as flame retardants in plastics to Sb(+ V) compounds during waste incineration. However, owing to the similarity of different Sb(+ V) compound in the Sb K- and L-edge XANES spectra, it was not possible to accurately identify an exact Sb(+ V) species. Moreover, V is mainly present as oxidation state + V compound in the analyzed ashes. However, the coarse and magnetic fraction of the bottom ashes contain larger amounts of V(+ III) and V(+ IV) compounds which might enter the waste incineration from vanadium carbide containing steel tools. Thus, Sb and V could be critical potential toxic elements in secondary building materials and long-term monitoring of the release should be taken into account in the future. KW - Müllverbrennung KW - XANES spectroscopy PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-599841 DO - https://doi.org/10.1007/s10163-024-01954-2 SN - 1438-4957 VL - 26 SP - 2152 EP - 72158 PB - Springer Science and Business Media LLC AN - OPUS4-59984 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gottu Mukkula, A. R. A1 - Kern, Simon A1 - Salge, M. A1 - Holtkamp, M. A1 - Guhl, Svetlana A1 - Fleischer, C. A1 - Meyer, Klas A1 - Remelhe, M. A1 - Maiwald, Michael A1 - Engell, S. T1 - An Application of Modifier Adaptation with Quadratic Approximation on a Pilot Scale Plant in Industrial Environment N2 - The goal of this work is to identify the optimal operating input for a lithiation reaction that is performed in a highly innovative pilot scale continuous flow chemical plant in an industrial environment, taking into account the process and safety constraints. The main challenge is to identify the optimum operation in the absence of information about the reaction mechanism and the reaction kinetics. We employ an iterative real-time optimization scheme called modifier adaptation with quadratic approximation (MAWQA) to identify the plant optimum in the presence of plant-model mismatch and measurement noise. A novel NMR PAT-sensor is used to measure the concentration of the reactants and of the product at the reactor outlet. The experiment results demonstrate the capabilities of the iterative optimization using the MAWQA algorithm in driving a complex real plant to an economically optimal operating point in the presence of plant-model mismatch and of process and measurement uncertainties. KW - Process Analytical Technology KW - Online NMR Spectroscopy KW - Process Industry KW - Iterative real-time optimization KW - Modifier adaptation KW - Plant-model mismatch KW - Reactor control KW - CONSENS PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-524531 DO - https://doi.org/10.1016/j.ifacol.2020.12.685 SN - 1522-2640 VL - 53 IS - 2 SP - 11773 EP - 11779 PB - Elsevier CY - Amsterdam AN - OPUS4-52453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dal Molin, E. S. A1 - Henning, L. M. A1 - Müller, J. T. A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard A1 - Bekheet, M. F. A1 - Gurlo, A. A1 - Simon, U. T1 - Robocasting of ordered mesoporous silica‐based monoliths: Rheological, textural, and mechanical characterization N2 - Hierarchically porous, high‐surface‐area silica materials are excellent candidates for multiple applications like catalysis and environmental remediation. Shaping these materials with additive manufacturing (AM) techniques, like robocasting, could enable their use with the benefit of on‐demand, customized shaping and maximizing performance. Herein, ordered mesoporous silica COK‐12 slurries were robocasted into monoliths, containing different ratios of uncalcined COK‐12 and sodium bentonite (0–25 wt.%). The rheology of the mixed slurries is characterized by lower flow indexes (0.69 vs. 0.32) and higher yield stresses (96 vs. 259 Pa) compared to pure COK‐12 ones. Monoliths were printed in woodpile structures and calcined at 600°C. Micro‐CT measurements showed a linear shrinkage of 25% after calcination. Mechanical characterization showed increased uniaxial strength (0.20 ± 0.07 to 1.0 ± 0.3 MPa) with increasing binder/solids ratio from 13 to 25%. The amorphous, mesoporous structure of COK‐12 was retained. The structures exhibited open porosities of 52 ± 4% and showed higher specific mesopore volumes, and increased average mesopore size (6 vs. 8 nm) compared to COK‐12. Small‐angle x‐ray scattering analysis revealed an increased lattice parameter (10.3 vs. 11.0 nm) and reduced wall thickness (3.1 nm vs. 4.1 nm) of the COK‐12 in the monoliths. These properties indicate suitability for their application as porous supports and adsorbents. KW - Industrial and Manufacturing Engineering KW - Additive manufacturing KW - OMS KW - Porous materials KW - Robocasting KW - X-ray scattering KW - MOUSE PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-582503 DO - https://doi.org/10.1002/nano.202300109 VL - 4 IS - 11-12 SP - 615 EP - 631 PB - Wiley-VCH GmbH AN - OPUS4-58250 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Henning, L. M. A1 - Smales, Glen Jacob A1 - Colmenares, M. G. A1 - Bekheet, M. F. A1 - Simon, U. A1 - Gurlo, A. T1 - Synthesis and properties of COK-12 large-pore mesocellularsilica foam N2 - Large, ink-bottle-shaped pores in mesocellular foams (MCFs) are desired for various applications requiring enhanced mass transfer or the immobilization of larger compounds. Hence, the cylindrical pores of COK-12, an ordered mesoporous silica structurally comparable to SBA-15 but synthesized at room-temperature at quasi-neutral pH, are chemically swollen into ink-bottle pores. Therefore, p-xylene is used as a more sustainable swelling agent compared to popular alternatives. Its high boiling point allows for an additional thermal aging step to amplify the mesostructure enlargement without needing additional chemicals. For COK-12, the MCFs obtained at room temperature reach an unprecedented plateau for the modal mesopore cell and window diameter of 19.9 and 5.5 nm, respectively, with an underlying broad pore size distribution and distorted hexagonal lattice up to 14.5 nm, involving hexagonal and spherical structures. The combined chemical and thermal swelling resulted in the selective enlargement of the window diameter to more than 200% and a slightly increased cell diameter, pore size distribution, and hexagonal lattice distortion in comparison to the room temperature synthesis. Such materials are thought to be promising alternatives to SBA-15-based MCFs, often utilizing toxic catalysts during synthesis. The presented results pave the way for enhanced adsorptive, catalytic, and drug delivery performances for COK-12-based materials. KW - SAXS KW - MOUSE KW - Mesocellular foam KW - Mesoporous silica PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-569590 DO - https://doi.org/10.1002/nano.202200223 SP - 1 EP - 11 AN - OPUS4-56959 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tjaden, B. A1 - Baum, K. A1 - Marquardt, V. A1 - Simon, M. A1 - Trajkovic-Arsic, M. A1 - Kouril, T. A1 - Siebers, B. A1 - Lisec, Jan A1 - Siveke, J. T. A1 - Schulte, J. H. A1 - Benary, U. A1 - Remke, M. A1 - Wolf, J. A1 - Schramm, A. T1 - MYCN-induced metabolic rewiring creates novel therapeutic vulnerabilities in neuroblastoma N2 - MYCN is a transcription factor that is aberrantly expressed in many tumor types and is often correlated with poor patient prognosis. Recently, several lines of evidence pointed to the fact that oncogenic activation of MYC family proteins is concomitant with reprogramming of tumor cells to cope with an enhanced need for metabolites during cell growth. These adaptions are driven by the ability of MYC proteins to act as transcriptional amplifiers in a tissue-of-origin specific manner. Here, we describe the effects of MYCN overexpression on metabolic reprogramming in neuroblastoma cells. Ectopic expression of MYCN induced a glycolytic switch that was concomitant with enhanced sensitivity towards 2-deoxyglucose, an inhibitor of glycolysis. Moreover, global metabolic profiling revealed extensive alterations in the cellular metabolome resulting from overexpression of MYCN. Limited supply with either of the two main carbon sources, glucose or glutamine, resulted in distinct shifts in steady-state metabolite levels and significant changes in glutathione metabolism. Interestingly, interference with glutamine-glutamate conversion preferentially blocked proliferation of MYCN overexpressing cells, when glutamine levels were reduced. Thus, our study uncovered MYCN induction and nutrient levels as important metabolic master switches in neuroblastoma cells and identified critical nodes that restrict tumor cell proliferation. KW - Mass-spectrometry KW - Tumor metabolism KW - MYCN PY - 2018 DO - https://doi.org/10.1101/423756 SP - 1 EP - 21 PB - Cold Spring Harbor Laboratory CY - Cold Spring Harbor, NY AN - OPUS4-46815 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schraut, Katharina A1 - Adamczyk, Burkart A1 - Simon, Sebastian A1 - von Werder, Julia A1 - Meng, Birgit A1 - Stephan, D. A. A1 - Adam, Christian T1 - Zementklinker durch Nachbehandlung von Stahlwerksschlacken N2 - Die Klinkerphasenbildung durch Sinterung in Drehrohröfen bei der Herstellung von Portlandzementklinker (PZK) ist gründlich erforscht und optimiert. Im Hinblick auf mögliche ökonomische und ökologische Vorteile befassen sich aktuelle Forschungsvorhaben darüber hinaus mit der Herstellung von Klinkermineralen aus Stahlwerksschlacken, die eine vergleichbare chemische Zusammensetzung aufweisen. Neuste Untersuchungen zeigen, dass nach der reduzierenden Behandlung schmelzflüssiger Linz-Donawitz-(LD)-Schlacken und Abscheidung des gebildeten metallischen Eisens eine mineralische Schlacke entsteht, die unabhängig von ihren Abkühlbedingungen ca. 50–60 Gew.% des wichtigsten Klinkerminerals Alit (C3S) enthält und eine hohe hydraulische Reaktivität aufweist. Die Stabilität des Alits auch nach langsamer Abkühlung deutet auf eine Stabilisierung des Minerals durch Nebenelemente aus den LD-Schlacken hin. Ein sinkender Anteil an LD-Schlacke durch Zusatz synthetischer Schlackemischung, die sich hinsichtlich ihrer Hauptkomponenten wie eine ausreduzierte LD-Schlacke zusammensetzt, führt zu einem Rückgang des Alitgehaltes und dem Zerfall der Schlacke beim Erstarren. T2 - 5. Schlacken-Symposium CY - Meitingen, Germany DA - 25.10.2018 KW - LD-Schlacke KW - Zement KW - Tricalciumsilikat PY - 2018 SP - 219 EP - 229 PB - Max Aicher Unternehmensgruppe AN - OPUS4-46412 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Henning, L. M. A1 - Diaz Cubas, D. A1 - Colmenares, M. G. A1 - Schmidt, J. A1 - Bekheet, M. F. A1 - Pauw, Brian Richard A1 - Gurlo, A. A1 - Simon, U. T1 - High specific surface area ordered mesoporous silica COK-12 with tailored pore size N2 - Ordered mesoporous silica materials such as COK-12, analogous to the well-known SBA-15, are characterized by high surface areas and unique features such as defined pore sizes in the meso-size range and high pore ordering. The aim of this work was to prove the washing step and choice of calcination and aging temperature during the COK-12 synthesis as effective tools in tailoring, markedly improving the specific surface area, pore size, and pore volume. By controlling the aging temperature, the pore size was linearly adjusted between 5.7 and 8.1 nm, while preserving the hexagonal ordering of the pores. The synthesized COK-12 powders possess pore volumes and specific surface areas up to 1.23 cm3 g−1 and 860m2 g−1, respectively, which is markedly higher than what has previously been reported about COK-12. The presented results and the environmentally friendly character of the synthesis will make COK-12 more interesting for future adaption to the industrial processes, for example in catalysis, adsorption, or drug delivery. KW - Ordered mesoporous silica KW - Pore size tailoring KW - High specific surface area KW - SAXS KW - Small angle scattering PY - 2019 DO - https://doi.org/10.1016/j.micromeso.2019.01.050 SN - 1387-1811 VL - 280 SP - 133 EP - 143 PB - Elsevier AN - OPUS4-47378 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - King, R. A1 - Engell, S. A1 - Paul, Andrea A1 - Pereira Remelhe, M. A1 - Maiwald, Michael T1 - Flexible Automation with compact NMR instruments N2 - Modular plants using intensified continuous processes represent an appealing concept to produce pharmaceuticals. It can improve quality, safety, sustainability, and profitability compared to batch processes, and it enables plug-and-produce reconfiguration for fast product changes. To facilitate this flexibility by real-time quality control, we developed a solution that can be adapted quickly to new processes and includes a compact Nuclear Magnetic Resonance (NMR) spectrometer for online quality monitoring as well as a new model-based control approach. The NMR sensor is a benchtop device enhanced to the requirements of automated chemical production including ro-bust evaluation of sensor data. Here, we present alternatives for the quantitative determination of the analytes using modular, physically motivated models. These models can be adapted to new substances solely by the use of their corresponding pure component spectra, which can either be derived from experimental spectra as well as from quantum mechanical models or NMR predictors. Modular means that spec-tral models can simply be exchanged together with alternate reagents and products. Beyond that, we comprehensively calibrated an NIR spectrometer based on online NMR process data for the first time within an industrial plant. The integrated solution was developed for a metal organic reac-tion running on a commercial-scale modular pilot plant and it was tested under industrial conditions. T2 - 7th Annual PANIC Conference CY - Hilton Head Island, South Carolina, USA DA - 03.03.2019 KW - Online NMR Spectroscopy PY - 2019 AN - OPUS4-47715 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - Pereira Remelhe, M. A1 - Maiwald, Michael T1 - Flexible automation with compact NMR spectroscopy for continuous production of pharmaceuticals N2 - Modular plants using intensified continuous processes represent an appealing concept for the production of pharmaceuticals. It can improve quality, safety, sustainability, and profitability compared to batch processes; besides, it enables plug-and-produce reconfiguration for fast product changes. To facilitate this flexibility by real-time quality control, we developed a solution that can be adapted quickly to new processes and is based on a compact nuclear magnetic resonance (NMR) spectrometer. The NMR sensor is a benchtop device enhanced to the requirements of automated chemical production including robust evaluation of sensor data. Beyond monitoring the product quality, online NMR data was used in a new iterative optimization approach to maximize the plant profit and served as a reliable reference for the calibration of a near-infrared (NIR) spectrometer. The overall approach was demonstrated on a commercial-scale pilot plant using a metal-organic reaction with pharmaceutical relevance. KW - NMR Spectroscopy KW - NIR Spectroscopy KW - Real-time process monitoring KW - Real-time quality control KW - Continuous processes KW - CONSENS KW - Data Fusion PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-480623 DO - https://doi.org/10.1007/s00216-019-01752-y SN - 1618-2642 SN - 1618-2650 VL - 411 IS - 14 SP - 3037 EP - 3046 PB - Springer Nature CY - Heidelberg AN - OPUS4-48062 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Henning, L. M. A1 - Simon, U. A1 - Gurlo, A. A1 - Smales, Glen Jacob A1 - Bekheet, M. F. T1 - Grafting and stabilization of ordered mesoporous silica COK-12 with graphene oxide for enhanced removal of methylene blue N2 - Large-pore ordered mesoporous silica (OMS) COK-12, analogous to the well-known SBA-15, but synthesized in a more environmentally friendly way and exhibiting a shorter plate-like structure, was grafted with different amounts of graphene oxide (GO) for the first time in an inexpensive and rapid process, that was successfully upscaled. Samples were examined with nitrogen sorption analysis, SAXS, Raman spectroscopy, XPS, and zeta potential analysis. Adsorption experiments with the cationic dye methylene blue (MB) were conducted on the grafted materials and on pure COK-12, taking into account the influence of initial dye concentration (30–600 mg L-1), adsorbent dosage (0.2–14 g L-1), contact time (0.3–300 min), solution pH (4 10), and influence of salts and temperature (0–1 M NaCl, 80 C) to simulate industrial dye effluent. The adsorption process was found to be represented best by the Langmuir isotherm model, i.e., adsorption is a monolayer process. The calculated maximum Adsorption capacities were found to be 20.2 and 197.5 mg g-1 at dosages of 5 and 0.5 g L-1 for pure COK-12 and COK-12 grafted with 50 wt% GO, respectively, at pH 5.65 and MB concentration of 100 mg L-1. Adsorption kinetics were found to follow the pseudo-second order model, i.e., chemisorption is the rate controlling step. The adsorption performances could be well preserved at simulated dye effluent. Desorption was found to be most effective with hydrochloric acid. The COK-12 grafted with GO presented in this work shows superior adsorption properties in comparison to other grafted OMS materials. In addition, grafting with GO remarkably improved the stability of COK-12 in aqueous solution. KW - COK-12 KW - Mesoporous Silica KW - Graphene Oxide KW - Large-pore PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-497788 UR - https://pubs.rsc.org/en/content/articlehtml/2019/ra/c9ra05541j DO - https://doi.org/10.1039/c9ra05541j VL - 9 IS - 62 SP - 36271 EP - 36284 PB - Royal Society of Chemistry AN - OPUS4-49778 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Henning, L. M. A1 - Müller, J. T. A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard A1 - Schmidt, J. A1 - Bekheet, M. F. A1 - Gurlo, A. A1 - Simon, U. T1 - Hierarchically porous and mechanically stable monoliths from ordered mesoporous silica and their water filtration potential N2 - Mechanically stable structures with interconnected hierarchical porosity combine the benefits of both small and large pores, such as high surface area, pore volume, and good mass transport capabilities. Hence, lightweight micro-/meso-/macroporous monoliths are prepared from ordered mesoporous silica COK-12 by means of spark plasma sintering (SPS, S-sintering) and compared to conventionally (C-) sintered monoliths. A multi-scale model is developed to fit the small angle X-ray scattering data and obtain information on the hexagonal lattice parameters, pore sizes from the macro to the micro range, as well as the dimensions of the silica population. For both sintering techniques, the overall mesoporosity, hexagonal pore ordering, and amorphous character are preserved. The monoliths' porosity (77–49%), mesopore size (6.2–5.2 nm), pore volume (0.50–0.22 g cm-3 ), and specific surface area (451–180 m2 g-1) decrease with increasing processing temperature and pressure. While the difference in porosity is enhanced, the structural parameters between the C-and S-sintered monoliths are largely converging at 900 C, except for the mesopore size and lattice parameter, whose dimensions are more extensively preserved in the S-sintered monoliths, however, coming along with larger deviations from the theoretical lattice. Their higher mechanical properties (biaxial strength up to 49 MPa, 724 MPa HV 9.807 N) at comparable porosities and ability to withstand ultrasonic treatment and dead-end filtration up to 7 bar allow S-sintered monoliths to reach a high permeance (2634 L m-2 h-1 bar-1), permeability (1.25 x 10^-14 m2), and ability to reduce the chemical oxygen demand by 90% during filtration of a surfactant-stabilized oil in water emulsion, while indicating reasonable resistance towards fouling. KW - SAXS KW - Hierarchically porous KW - Silica KW - Water filtration PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-555928 DO - https://doi.org/10.1039/D2NA00368F SN - 2516-0230 SP - 1 EP - 17 PB - Royal Society of Chemistry CY - Cambridge AN - OPUS4-55592 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Simon, Sebastian A1 - Gluth, Gregor A1 - Peys, A. A1 - Onisei, S. A1 - Banerjee, D. A1 - Pontikes, Y. T1 - The fate of iron during the alkali-activation of synthetic (CaO-)FeOx-SiO2 slags: An Fe K-edge XANES study N2 - Slags from the nonferrous metals industry have great potential to be used as feedstocks for the production of alkali-activated materials. Until now, however, only very limited information has been available about the structural characteristics of these materials. In the work presented herein, synthetic slags in the CaO–FeOx–SiO2 system, representing typical compositions of Fe-rich slags, and inorganic polymers (IPs) produced from the synthetic slags by activation with alkali Silicate solutions have been studied by means of X-ray absorption near-edge structure (XANES) spectroscopy at the Fe K-edge. The iron in the slags was largely Fe2+, with an average coordination number of approximately 5 for the iron in the amorphous fraction. The increase in average oxidation number after alkali-activation was conceptualized as the consequence of slag dissolution and IP precipitation, and employed to calculate the degrees of reaction of the slags. The degree of reaction of the slags increased with increasing amorphous fraction. The iron in the IPs had an average coordination number of approximately 5; thus, IPs produced from the Fe-rich slags studied here are not Fe-analogs of aluminosilicate geopolymers, but differ significantly in terms of structure from the latter. KW - Alkali-activated slag KW - Inorganic polymers KW - Iron speciation KW - Nonferrous slag KW - X-ray absorption near-edge structure KW - X-ray absorption spectroscopy PY - 2018 DO - https://doi.org/10.1111/jace.15354 SN - 1551-2916 SN - 0002-7820 VL - 101 IS - 5 SP - 2107 EP - 2118 PB - John Wiley & Sons, Inc. AN - OPUS4-43880 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reiche, I. A1 - Berger, Achim A1 - Duval, A. A1 - Guicharnaud, H. A1 - Merchel, Silke A1 - Radtke, Martin A1 - Schäfer, D. A1 - Simon, R. T1 - SY-XRF study of Hans Baldung Grien silverpoint drawings and the silver stylus from the 'Karlsruhe sketchbook' N2 - We performed spatially resolved synchrotron-induced x-ray fluorescence analyses (SY-XRF) of five silverpoint drawings from the famous `Karlsruhe sketchbook´ and a silverpoint, which is assumed to be an original one used by the Renaissance artist Hans Baldung Grien (1484-1545) himself. The silverpoint, one out of a very small number of ancient styli conserved nowadays, is fixed on the so-called `Karlsruhe sketchbook´. Measurements were executed at the FLUO-TOPO beamline at the electron storage ring ANKA. It has been shown, that SY-XRF at this beamline is nondestructive and sensitive enough for the analysis of minor and major elements in the silver strokes. This study provides new insights into this graphical technique and ancient drawing instruments: results are that three drawings have been created with a common type of silverpoint containing about (10.4 ± 0.7) wt% of Cu. In all the cases, Hg at a 10% level by weight was identified in the strokes. Presence of Hg is not due to the original silver alloy, but is a result of a general alteration phenomenon of silverpoint drawings. This fact is confirmed by the analysis of the original silverpoint, which contains only small traces of Hg. The result for the copper content of the silverpoint (10.4 ± 1.7) wt% is in good agreement with that of these three drawings. It is supposable that the silverpoint found attached today served for the creation of the corresponding drawings. Moreover, the graphical technique of Baldung is found to be continual over three decades. Only one very late drawing dated to 1543 was probably realized with another silverpoint, containing about 3 wt% of Cu. This difference in the chemical composition of drawings from the late period might be used as a more precise dating indicator of Baldung drawings that are not clearly attributed to a certain period. KW - Synchrotron KW - XRF analysis KW - Drawings KW - Silver stylus PY - 2007 DO - https://doi.org/10.1002/xrs.963 SN - 0049-8246 VL - 36 IS - 3 SP - 173 EP - 177 PB - Wiley CY - Chichester AN - OPUS4-16150 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Berger, Wolfgang A1 - Simon, Franz-Georg A1 - Weimann, Karin A1 - Alsema, E. A. T1 - A novel approach for the recycling of thin film photovoltaic modules N2 - A sustainable recycling of photovoltaic (PV) thin film modules gains in importance due to the considerable growing of the PV market and the increasing scarcity of the resources for semiconductor materials. The paper presents the development of two strategies for thin film PV recycling based on (wet) mechanical processing for broken modules, and combined thermal and mechanical methods for end-of-life modules. The feasibility of the processing steps was demonstrated in laboratory scale as well as in semi-technical scale using the example of CdTe and CIS modules. Pre-concentrated valuables In and Te from wet mechanical processing can be purified to the appropriate grade for the production of new modules. An advantage of the wet mechanical processing in comparison to the conventional procedure might be the usage of no or a small amount of chemicals during the several steps. Some measures are necessary in order to increase the efficiency of the wet mechanical processing regarding the improvement of the valuable yield and the related enrichment of the semiconductor material. The investigation of the environmental impacts of both recycling strategies indicates that the strategy, which includes wet mechanical separation, has clear advantages in comparison to the thermal treatment or disposal on landfills. KW - Recycling KW - Photovoltaic KW - Thin film modules KW - CdTe KW - CIS KW - Mechanical processing KW - Life cycle analysis PY - 2010 DO - https://doi.org/10.1016/j.resconrec.2009.12.001 SN - 0921-3449 VL - 54 IS - 10 SP - 711 EP - 718 PB - Elsevier CY - Amsterdam [u.a.] AN - OPUS4-21439 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vasilescu, A. A1 - Constantinescu, B. A1 - Bugoi, R. A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Simon, R. ED - Denecke, M. ED - Walker, C. T1 - Gold provenance studies for Romanian archaeological objects using micro-SR-XRF N2 - Studies by Synchrotron Radiation-X-Ray Fluorescence (SR-XRF) for the search of the presence of trace elements like Sb, Sn, Te and Pb in archaeological metallic objects found on the territory of Romania-old coins and Bronze Age jewelry, aimed to determine the provenance of the gold used in their manufacture. The results are compared with the detailed elemental composition of alluvial or primary gold samples, obtained by the same technique. This work attempted to establish the origin of the gold used for the mint of two different types of koson coins. We found that the kosons with monogram are made of refined gold, while the one used for the kosons without monogram is mainly alluvial. The gold used in the manufacture of the Calarasi Vulchitrun-type disk and the Tauteu hair ring is also of alluvial origin. T2 - 20th International congress on X-ray optics and microanalysis CY - Karlsruhe, Germany DA - 2009-09-14 KW - Provenance KW - Gold KW - SR-XRF KW - Trace elements PY - 2010 UR - http://link.aip.org/link/?APCPCS/1221/139/1 SN - 978-0-7354-0764-0 DO - https://doi.org/10.1063/1.3399240 SN - 0094-243X SP - 139 EP - 143 PB - American Institute of Physics AN - OPUS4-21182 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, Cong A1 - Aumont, Cédric A1 - Mikhailova, Alina A. A1 - Audisio, Tracy A1 - Hellemans, Simon A1 - Weng, Yi-Ming A1 - He, Shulin A1 - Clitheroe, Crystal A1 - Wang, Zongqing A1 - Haifig, Ives A1 - Sillam-Dussès, David A1 - Buček, Aleš A1 - Tokuda, Gaku A1 - Šobotník, Jan A1 - Harrison, Mark C. A1 - McMahon, Dino P. A1 - Bourguignon, Thomas T1 - Unravelling the evolution of wood-feeding in termites with 47 high-resolution genome assemblies N2 - Termites are a lineage of social cockroaches abundant in tropical ecosystems where they are key decomposers of organic matter. Despite their ecological significance, only a handful of reference-quality termite genomes have been sequenced, which is insufficient to unravel the genetic mechanisms that have contributed to their ecological success. Here, we perform sequencing and hybrid assembly of 45 taxonomically and ecologically diverse termites and two cockroaches, resulting in haplotype-merged genome assemblies of 47 species, 22 of which were near-chromosome level. Next, we examine the link between termite dietary evolution and major genomic events. We find that Termitidae, which include ~80% of described termite species, have larger genomes with more genes and a higher proportion of transposons than other termites. Our analyses identify a gene number expansion early in the evolution of Termitidae, including an expansion of the repertoire of CAZymes, the genes involved in lignocellulose degradation. Notably, this expansion of genomes and gene repertoires coincided with the origin of soil-feeding in Termitidae and remained unchanged in lineages that secondarily reverted to a wood-based diet. Overall, our sequencing effort multiplies the number of available termite genomes by six and provides insights into the genome evolution of an ancient lineage of social insects. KW - Comparative genomics KW - Entomology KW - Genome evolution KW - Phylogenetics PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651719 DO - https://doi.org/10.1038/s41467-025-65969-5 SN - 2041-1723 VL - 16 SP - 1 EP - 14 PB - Springer Science and Business Media LLC AN - OPUS4-65171 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, Cong A1 - Hellemans, Simon A1 - Weng, Yi-Ming A1 - Mikhailova, Alina A. A1 - Aumont, Cédric A1 - Buček, Aleš A1 - Šobotník, Jan A1 - Harrison, Mark C. A1 - McMahon, Dino P. A1 - Bourguignon, Thomas T1 - Robust termite phylogenies built using transposable element composition and insertion events N2 - Phylogenetic trees are typically reconstructed using conserved sequence alignments. Other genomic elements, such as transposable elements (TEs), make up a large fraction of eukaryotic genomes but are ignored for phylogenetic reconstruction, despite potentially containing phylogenetic information, which could be used to resolve nodes that remain contentious. Here, we reconstructed accurate phylogenetic trees of 45 termites and two cockroaches using two types of characters derived from the TE landscape: (1) genome-wide presence and absence of 37,966 TE families and (2) presence/absence data of 37,966 TE families in the flanking regions of orthologous ultraconserved elements (UCEs), which was a proxy for TE insertions. The topologies of our TE-based phylogenetic trees were largely congruent with phylogenetic trees inferred from alignments of UCEs and single-copy orthologous genes, only differing for a few nodes variably reconstructed in other phylogenetic analyses. Notably, trees based on genome-wide TE family composition were more accurate than trees inferred from mitochondrial genome alignments, and trees based on TE family composition in regions flanking UCEs achieved comparable accuracy with trees inferred from single-copy orthologous gene alignments. Our results demonstrate that the TE landscape is phylogenetically informative, representing an additional set of markers for robust phylogenetic reconstructions, with potential use to resolve ambiguous nodes in the tree of life. KW - Comparative genomics KW - Genome evolution KW - Insects KW - Isoptera KW - Mitogenomes KW - Molecular markers KW - Phylogenomics KW - Transposons PY - 2025 DO - https://doi.org/10.1016/j.cub.2025.10.019 SN - 0960-9822 VL - 35 IS - 22 SP - 1 EP - 10 PB - Elsevier Inc. AN - OPUS4-64737 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Senges, Gene A1 - de Oliveira Guilherme Buzanich, Ana A1 - Lindič, Tilen A1 - Gully, Tyler A. A1 - Winter, Marlon A1 - Radtke, Martin A1 - Röder, Bettina A1 - Steinhauer, Simon A1 - Paulus, Beate A1 - Emmerling, Franziska A1 - Riedel, Sebastian T1 - Unravelling highly oxidized nickel centers in the anodic black film formed during the Simons process by in situ X-ray absorption near edge structure spectroscopy N2 - The electrofluorination after Simons has been used for the last century to produce everyday life materials. An in situ XANES investigation of the controversially debated black film apparent in the Simons process revealed high-valent nickel centers. KW - Synchrotron KW - BAMline KW - XANES PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608366 DO - https://doi.org/10.1039/d3sc06081k SN - 2041-6520 VL - 15 IS - 12 SP - 4504 EP - 4509 PB - Royal Society of Chemistry (RSC) AN - OPUS4-60836 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dietzmann, Simon A1 - Mehmood, Asad A1 - de Oliveira Guilherme Buzanich, Ana A1 - Emmerling, Franziska A1 - Fellinger, Tim-Patrick A1 - Thomas, A. T1 - Characterization of Solid-State Complexes by XAS N2 - Atomically dispersed metal-nitrogen doped carbons (M-N-C) are promising catalysts for the activation of small molecules such as O2 and CO2. These single atom catalysts (SAC) operate at the interface between homogenous and heterogenous catalysts. Currently, many examples of M-N-C are known with good oxygen reduction reaction activity but lacking a controlled synthesis of the specific active sites of the precatalyst. Recently, our group facilitated the synthesis of pure pyrrolic M-N4 sites using Zn ions as imprinters.[1] These amorphous materials obtained by active site imprinting method are characterized at the BAMline (Bessy II) by X-ray absorption spectroscopy (XAS). In-situ/operando measurements will be crucial in future work for a better understanding of the dynamic changes of the active site. T2 - InSynX Workshop 2023 CY - Sao Paulo, Brazil DA - 06.03.2023 KW - Solid-State Complexes PY - 2023 AN - OPUS4-58933 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, Cong A1 - Hellemans, Simon A1 - Kinjo, Yukihiro A1 - Mikhailova, Alina A A1 - Aumont, Cédric A1 - Weng, Yi-Ming A1 - Buček, Aleš A1 - Husnik, Filip A1 - Šobotník, Jan A1 - Harrison, Mark C A1 - McMahon, Dino P A1 - Bourguignon, Thomas T1 - Recurrent horizontal gene transfers across diverse termite genomes N2 - Horizontal gene transfer (HGT), the transmission of genetic material across species, is an important innovation source in prokaryotes. In contrast, its significance is unclear in many eukaryotes, including insects. Here, we used high-quality genomes of 45 termites and two cockroaches to investigate HGTs from non-metazoan organisms across blattodean genomes. We identified 289 genes and 2,494 pseudogenes classified into 168 orthologous groups originating from an estimated 281 HGT events. Wolbachia represented the primary HGT source, while termite gut bacteria and the cockroach endosymbiont Blattabacterium did not contribute meaningfully to HGTs. Most horizontally acquired genes descended from recent and species-specific HGTs, experienced frequent duplications and pseudogenizations, and accumulated substitutions faster than synonymous sites of native protein-coding genes. Genes frequently transferred horizontally to termite genomes included mobile genetic elements and genetic information processing genes. Our results indicate that termites continuously acquired genes through HGT, and that most horizontally acquired genes are specific to restricted lineages. Overall, genes acquired by HGT by termites and cockroaches seemed generally non-functional and bound to be lost. KW - Phylogenomics KW - Isoptera KW - Comparative genomics PY - 2026 DO - https://doi.org/10.1093/evolut/qpag003 SN - 0014-3820 SP - 1 EP - 14 PB - Oxford University Press (OUP) AN - OPUS4-65418 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -