TY - JOUR A1 - Wasternack, J. A1 - Schröder, H. V. A1 - Witte, J. F. A1 - Ilisson, M. A1 - Hupatz, H. A1 - Hille, J. F. A1 - Gaedke, M. A1 - Valkonen, A. M. A1 - Sobottka, S. A1 - Krappe, A. A1 - Schubert, M. A1 - Paulus, B. A1 - Rissanen, K. A1 - Sarkar, B. A1 - Eigler, S. A1 - Resch-Genger, Ute A1 - Schalley, C. A. T1 - Switchable protection and exposure of a sensitive squaraine dye within a redox active rotaxane N2 - In nature,molecular environments in proteins can sterically protect and stabilize reactive species such as organic radicals through non-covalent interactions.Here, wereport a near-infrared fluorescent rotaxane in which the stabilization of a chemically labile squaraine fluorophore by the coordination of a tetralactam macrocycle can be controlled chemically and electrochemically. The rotaxane can be switched between two co-conformations inwhich thewheel either stabilizes or exposes the fluorophore. Coordination by the wheel affects the squaraine’s stability across four redox states and renders the radical anion significantly more stable—by a factor of 6.7—than without protection by a mechanically bonded wheel. Furthermore, the fluorescence properties can be tuned by the redox reactions in a stepwise manner. Mechanically interlockedmolecules provide an excellent scaffold to stabilize and selectively expose reactive species in a co-conformational switching process controlled by external stimuli. KW - Fluorescence KW - Dye KW - Sensor KW - Quantum yield KW - Spectroscopy KW - Photophysics KW - Synthesis KW - Squaraine KW - Switch KW - Redox-active KW - Rotaxane PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614959 DO - https://doi.org/10.1038/s42004-024-01312-1 VL - 7 SP - 1 EP - 11 AN - OPUS4-61495 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmidt, C. A1 - Schierack, P. A1 - Gerber, U. A1 - Schröder, C. A1 - Choi, Youngeun A1 - Bald, Ilko A1 - Lehmann, W. A1 - Rödiger, S. T1 - Streptavidin Homologues for Applications on Solid Surfaces at High Temperatures N2 - One of the most commonly used bonds between two biomolecules is the bond between biotin and streptavidin (SA) or streptavidin homologues (SAHs). A high dissociation constant and the consequent high-temperature stability even allows for its use in nucleic acid detection under polymerase chain reaction (PCR) conditions. There are a number of SAHs available, and for assay design, it is of great interest to determine as to which SAH will perform the best under assay conditions. Although there are numerous single studies on the characterization of SAHs in solution or selected solid phases, there is no systematic study comparing different SAHs for biomolecule-binding, hybridization, and PCR assays on solid phases. We compared streptavidin, core streptavidin, traptavidin, core traptavidin, neutravidin, and monomeric streptavidin on the surface of microbeads (10–15 μm in diameter) and designed multiplex microbead-based experiments and analyzed simultaneously the binding of biotinylated oligonucleotides and the hybridization of oligonucleotides to complementary capture probes. We also bound comparably large DNA origamis to capture probes on the microbead surface. We used a real-time fluorescence microscopy imaging platform, with which it is possible to subject samples to a programmable time and temperature profile and to record binding processes on the microbead surface depending on the time and temperature. With the exception of core traptavidin and monomeric streptavidin, all other SA/SAHs were suitable for our investigations. We found hybridization efficiencies close to 100% for streptavidin, core streptavidin, traptavidin, and neutravidin. These could all be considered equally suitable for hybridization, PCR applications, and melting point analysis. The SA/SAH–biotin bond was temperature-sensitive when the oligonucleotide was mono-biotinylated, with traptavidin being the most stable followed by streptavidin and neutravidin. Mono-biotinylated oligonucleotides can be used in experiments with temperatures up to 70 °C. When oligonucleotides were bis-biotinylated, all SA/SAH–biotin bonds had similar temperature stability under PCR conditions, even if they comprised a streptavidin variant with slower biotin dissociation and increased mechanostability. KW - Biopolymers Probes KW - Hybridization KW - Fluorescence KW - Genetics PY - 2020 DO - https://doi.org/10.1021/acs.langmuir.9b02339 VL - 36 IS - 2 SP - 628 EP - 636 PB - American Chemical Society Publication CY - Washington AN - OPUS4-50357 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rauchegger, C. A1 - Bayley, S. A1 - Schröder, Volkmar A1 - Thévenin, D. T1 - Dispersion of heavy gases - experimental results and numerical simulations N2 - The hazardous potential of accidental heavy gas releases, especially those involving flammable and toxic gases, is widely known. In order to predict the area in which these gases are in hazardous concentrations, an estimation of the dispersion of these gases must be carried out. While the hazardous area for flammable heavy gases is determined by the lower flammability limit (ca. >1 vol%), the release of toxic heavy gases can result in a much larger hazardous area. Toxic gases, even in very low concentrations (ca. <3,000 ppm), have the potential to be highly damaging. State-of-the-art dispersion models, such as the VDI Guideline 3783, can be used to estimate the dispersion of heavy gases. However, VDI 3783 gives no method for the prediction of the height and width of a heavy gas cloud, which are both required for quantitative risk analysis as well as for a possible coupling of a Lagrangian particle model with the VDI 3783 heavy gas dispersion model. Therefore, further calculation methods were used to describe these dimensions and were evaluated against experimental studies of the length, width, and height of the heavy and neutral gas field. In addition to that the influence of the source height on the heavy gas dispersion was also examined KW - Process safety KW - Heavy gas KW - Numerical simulation KW - Explosion protection PY - 2015 DO - https://doi.org/10.1002/prs.11723 SN - 1066-8527 SN - 1547-5913 SN - 0278-4513 VL - 34 IS - 3 SP - 280 EP - 285 PB - Wiley InterScience CY - Hoboken, NJ AN - OPUS4-34756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kailasam, K. A1 - Mesch, M. B. A1 - Möhlmann, Lennart A1 - Baar, M. A1 - Blechert, S. A1 - Schwarze, M. A1 - Schröder, M. A1 - Schomäcker, R. A1 - Senker, J. A1 - Thomas, A. T1 - Donor–acceptor-type heptazine-based polymer networks for photocatalytic hydrogen evolution N2 - A heptazine-based polymer network (HMP-3) with a donor–acceptor (D–A) structure was prepared and tested as catalyst for photocatalytic hydrogen evolution from water. Compared to other heptazine-based materials, which are typically prepared at high temperatures and have recently received much interest as metal-free photocatalysts, the low-temperature protocol applied here allows the defined introduction of organic functional groups within the polymer backbone. The structure of HMP-3 contains alternating heptazine and benzothiadiazole moieties as electron acceptors connected by aminobenzene bridges as electron donors. The resulting material leads to enhanced hydrogen evolution compared to graphitic carbon nitride materials prepared at high temperatures (>500 8C) most probably because of the stabilization of photogenerated charge carriers in the D–A structure. KW - Photocatalysis KW - Water splitting KW - Water reduction KW - Carbon nitride PY - 2016 DO - https://doi.org/10.1002/ente.201500478 VL - 4 IS - 6 SP - 744 EP - 750 PB - Wiley AN - OPUS4-36915 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Saeidfirozeh, H. A1 - Kubelík, P. A1 - Laitl, V. A1 - Krivkova, A. A1 - Vrabel, J. A1 - Rammelkamp, K. A1 - Schroder, S. A1 - Gornushkin, Igor B. A1 - Kepes, E. A1 - Zabka, J. A1 - Ferus, M. A1 - Porízka, P. A1 - Kaiser, J. T1 - Laser-induced breakdown spectroscopy in space applications: Review and prospects N2 - This review describes the principles and summarizes the challenges of analytical methods based on optical emission spectroscopy (OES) in space applications, with a particular focus on Laser-Induced Breakdown Spectroscopy (LIBS). Over the past decade, LIBS has emerged as a powerful analytical technique for space exploration and In-Situ Resource Utilization (ISRU) of celestial bodies. Its implementation has been suggested for various segments of the Space Resources Value Chain, including prospecting, mining, and beneficiation. Current missions to Mars, including the ChemCam instrument on the Curiosity rover, the SuperCam on the Perseverance rover, and the MarSCoDe on the Zhurong rover, are considered flagship applications of LIBS. Despite neither the Pragyan rover nor the Vikram lander waking from the lunar night, the success of the Chandrayaan-3 mission marks another milestone in the development of LIBS instruments, with further missions, including commercial ones, anticipated. This paper reviews the deployment of LIBS payloads on Mars rovers, upcoming missions prospecting the Moon and asteroids, and LIBS analysis of meteorites. Additionally, it highlights the importance of data processing specific to space applications, emphasizing recent trends in transfer learning. Furthermore, LIBS combined with other spectroscopic techniques (e.g., Raman Spectroscopy, Mass Spectrometry, and Fourier-Transform Infrared Spectroscopy) represents an intriguing platform with comprehensive analytical capabilities. The review concludes by emphasizing the significance of LIBS-based contributions in advancing our understanding of celestial bodies and paving the way for future space exploration endeavors KW - Laser-induced breakdown spectroscopy KW - Mars KW - Moon KW - Asteroids KW - Meteorites KW - Machine learning KW - Transfer learning KW - Raman spectroscopy KW - Mass spectrometry KW - Fourier-transform infrared spectroscopy PY - 2024 DO - https://doi.org/10.1016/j.trac.2024.117991 VL - 181 SP - 1 EP - 22 PB - Elsevier B.V. AN - OPUS4-62142 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hempel, M. A1 - Ziegler, Mathias A1 - Schwirzke-Schaaf, S. A1 - Tomm, J.W. A1 - Jankowski, D. A1 - Schröder, D. T1 - Spectroscopic analysis of packaging concepts for high-power diode laser bars N2 - Double-side cooled high-power diode laser bars packaged by different techniques on different types of passive heat sinks are analyzed in terms of packaging-induced strain. Reference data from standard devices being single-side cooled only and packaged by conventional soft and hard soldering are also presented. Thermal profiling across the devices complements the results. The most suitable packaging architecture and technique for double-side cooled bars is identified. Measurements of the laser emission near field and electroluminescence pattern provide direct reference to the functionality of the devices. Furthermore, a type of cross calibration of the methods used for strain analysis is made, since all techniques are applied to the same set of bars. This involves micro photoluminescence, micro Raman, and degree-of-polarization electroluminescence spectroscopy. KW - Spectroscopy KW - Semiconductor laser KW - Thermography KW - High-power diode lasers KW - Non-destructive testing PY - 2012 DO - https://doi.org/10.1007/s00339-012-6799-4 SN - 0947-8396 VL - 107 IS - 2 SP - 371 EP - 377 PB - Springer CY - Berlin AN - OPUS4-25789 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schröder, Volkmar A1 - Baumeier, Andreas A1 - Franzen, S. A1 - Büttgen, F. T1 - Explosionsgrenzen der Zerfallsreaktion von Gemischen aus Ethylenoxid, Propylenoxid und Stickstoff KW - Alkoxylierung KW - Explosionsschutz KW - Gasphase KW - Zündverhalten PY - 2007 SN - 0009-286X SN - 1522-2640 VL - 79 IS - 8 SP - 1241 EP - 1245 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-15704 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Askar, Enis A1 - Baumeier, Andreas A1 - Holtappels, Kai A1 - Schröder, Volkmar A1 - Franzen, S. A1 - Büttgen, F. T1 - Explosionskenngrößen von Ethylenoxid und Ethylenoxid/Propylenoxid-Gemischen N2 - In Gasphasen aus Ethylenoxid (EO) und Propylenoxid (PO), die bei technischen Alkoxylierungsreaktionen vorkommen, können auch ohne den Zutritt von Luft Zerfallsreaktionen stattfinden, die explosionsartig mit einer vielfachen Temperatur- und Drucksteigerung verlaufen. Zur Abschätzung der Auswirkungen solcher Explosionen wurden die Explosionsdrücke und die zeitlichen Druckanstiege von reinem EO und EO/PO-Gemischen bei Temperaturen von 100°C bis 200°C und Drücken von 1 - 10 bar in einem 3-dm³-Behälter und punktuell in einem 100-dm³-Behälter experimentell bestimmt. KW - Explosionsdruck KW - Explosionsgrenzen KW - Explosionsschutz KW - Gase KW - Sicherheitstechnik KW - Explosion control KW - Explosion limits KW - Explosion pressure KW - Gases KW - Saftey engineering PY - 2011 DO - https://doi.org/10.1002/cite.201000099 SN - 0009-286X SN - 1522-2640 VL - 83 IS - 3 SP - 365 EP - 370 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-23354 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Askar, Enis A1 - Schröder, Volkmar A1 - Seemann, A. A1 - Schuetz, S. T1 - Power-to-Gas: Safety Characteristics of Hydrogen/NaturalGas-Mixtures N2 - Safety characteristics for explosion protection of natural gas/hydrogen mixtures relevant in connection with the Power2Gas technology were studied in this work. Lower explosion limits (LEL) and upper explosion limits (UEL), limiting oxygen concentrations (LOC), maximum experimental safety gaps (MESG), maximum explosion pressures (pmax) and maximum rates of pressure rise (dp/dt)max were determined experimentally in dependence of the hydrogen fraction. Adding hydrogen did mainly effect the UEL, LOC, MESG and (dp/dt)max. The mixtures become more "critical" concerning the explosion hazards with increasing hydrogen fraction. However, the dependency of the safety characteristics from the hydrogen fraction is mainly not linear. Adding up to 10% hydrogen to natural gas had nearly no effect on the safety characteristics. More significant effects on the safety characteristics were observed at hydrogen fractions of more than 25%. For example the explosion group changes from IIA to IIB. Considering the huge explosion region and very high (dp/dt)max of hydrogen compared to natural gas, even adding 50% hydrogen to natural gas has a rather small effect on these characteristics. Furthermore pmax of hydrogen/natural-gas mixtures can be calculated with good accuracy assuming ideal adiabatic conditions. EL and LOC of natural gas/hydrogen mixtures in ternary systems with inert gas and air were calculated in dependence of the type of inert gas with the so called “model of constant adiabatic flame temperature profiles”. KW - Explosion protection KW - Hydrogen safety KW - Hydrogen enriched natural gas KW - Energy storage PY - 2016 SN - 78-88-95608-39-6 DO - https://doi.org/10.3303/CET1648067 SN - 2283-9216 VL - 2016/48 SP - 397 EP - 402 PB - AIDIC AN - OPUS4-36788 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schoder, S. A1 - Schröder, H. V. A1 - Cera, L. A1 - Puttreddy, R. A1 - Güttler, Arne A1 - Resch-Genger, Ute A1 - Rissanen, K. A1 - Schalley, C. A. T1 - Strong Emission Enhancement in pH-Responsive 2:2 Cucurbit[8]uril Complexes N2 - Organic fluorophores, particularly stimuli-responsive molecules, are very interesting for biological and material sciences applications, but frequently limited by aggregation- and rotation-caused photoluminescence quenching. A series of easily accessible bipyridinium fluorophores, whose emission is quenched by a twisted intramolecular charge-transfer (TICT) mechanism, is reported. Encapsulation in a cucurbit[7]uril host gave a 1:1 complex exhibiting a moderate emission increase due to destabilization of the TICT state inside the apolar cucurbituril cavity. A much stronger fluorescence enhancement is observed in 2:2 complexes with the larger cucurbit[8]uril, which is caused by additional conformational restriction of rotations around the aryl/aryl bonds. Because the cucurbituril complexes are pH switchable, this system represents an efficient supramolecular ON/OFF fluorescence switch. KW - Sensor KW - pH KW - Dye KW - Supramolecular chemistry KW - Synthesis KW - Host-guest interaction KW - Fluorescence KW - Enhancement KW - Curcubituril KW - Macrocyclus KW - Solid state PY - 2019 DO - https://doi.org/10.1002/chem.201806337 SN - 0947-6539 VL - 25 IS - 13 SP - 3257 EP - 3261 PB - WILEY-VCH Verlag GmbH & Co. KGaA CY - Weinheim AN - OPUS4-47599 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schröder, Volkmar A1 - Zakel, S. A1 - Brandes, E. T1 - Reliable safety characteristics of flammable gases and liquids - The database CHEMSAFE N2 - The safety characteristics of flammable gases and liquids are required when identifying potentially explosive mixtures and taking appropriate actions concerning explosion protection. Examples are given here of the safe handling and evaluation of hazards during the processing, storage, transport, and disposal of flammable liquids and gases. The CHEMSAFE database is presented as a reliable source of safety characteristic data, and its new open-access version is introduced. CHEMSAFE currently contains assessed properties for about 3000 liquids, gases and mixtures. The lack of a broad experimental foundation in the extensive field of non-atmospheric conditions shows the need for further investigation and standardization. This article summarizes experimental evidence and estimation methods for safety characteristic data under non-atmospheric conditions pointing out current limitations. Suggestions for pre-normative research on safety data under non-atmospheric conditions are given. KW - Explosion protection KW - Safety characteristics KW - Classification KW - Flammable Gas KW - Flammable Liquid PY - 2019 DO - https://doi.org/10.1016/j.jlp.2019.07.002 SN - 0950-4230 VL - 62 SP - 103914 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-48547 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -