TY - JOUR
A1 - Mundra, S.
A1 - Samson, G.
A1 - Masi, G.
A1 - Achenbach, R.
A1 - Bastidas, D. M.
A1 - Bernal, S. A.
A1 - Bignozzi, M. C.
A1 - Criado, M.
A1 - Cyr, M.
A1 - Gartner, N.
A1 - von Greve-Dierfeld, S.
A1 - Legat, A.
A1 - Nikoonasab, Ali
A1 - Provis, J. L.
A1 - Raupach, M.
A1 - Gluth, Gregor
T1 - Application of electrochemical methods for studying steel corrosion in alkali-activated materials
N2 - Alkali-activated materials (AAMs) are binders that can complement and partially substitute the current use of conventional cement. However, the present knowledge about how AAMs protect steel reinforcement in concrete elements is incomplete, and uncertainties exist regarding the application of electrochemical methods to investigate this issue. The present review by EFC WP11-Task Force ‘Corrosion of steel in alkali-activated materials’ demonstrates that important differences exist between AAMs and Portland cement, and between different classes of AAMs, which are mainly caused by differing pore solution compositions, and which affect the outcomes of electrochemical measurements. The high sulfide concentrations in blast furnace slag-based AAMs lead to distinct anodic polarisation curves, unusually low open circuit potentials, and low polarisation resistances, which might be incorrectly interpreted as indicating active corrosion of steel reinforcement. No systematic study of the influence of the steel–concrete interface on the susceptibility of steel to corrosion in AAMs is available. Less common electrochemical methods present an opportunity for future progress in the field.
KW - Alkali-activated materials
KW - Reinforcement corrosion
KW - Steel corrrosion
KW - Electrochemical methods
KW - Concrete
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-572241
DO - https://doi.org/10.1002/maco.202313743
SN - 1521-4176
VL - 74
IS - 7
SP - 988
EP - 1008
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-57224
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Page, T.M.
A1 - Nie, C.
A1 - Neander, L.
A1 - Povolotsky, T.L.
A1 - Sahoo, A.K.
A1 - Nickl, Philip
A1 - Adler, J.M.
A1 - Bawadkji, O.
A1 - Radnik, Jörg
A1 - Achazi, K.
A1 - Ludwig, K.
A1 - Lauster, D.
A1 - Netz, R.R.
A1 - Trimpert, J.
A1 - Kaufer, B.
A1 - Haag, R.
A1 - Donskyi, Ievgen
T1 - Functionalized Fullerene for Inhibition of SARS-CoV-2 Variants
N2 - As virus outbreaks continue to pose a challenge, a nonspecific viral inhibitor can provide significant benefits, especially against respiratory viruses. Polyglycerol sulfates recently emerge as promising agents that mediate interactions between cells and viruses through electrostatics, leading to virus inhibition.
Similarly, hydrophobic C60 fullerene can prevent virus infection via interactions with hydrophobic cavities of surface proteins. Here, two strategies are combined to inhibit infection of SARS-CoV-2 variants in vitro. Effective inhibitory concentrations in the millimolar range highlight the significance of bare fullerene’s hydrophobic moiety and electrostatic interactions of polysulfates with surface proteins of SARS-CoV-2. Furthermore, microscale thermophoresis measurements support that fullerene linear polyglycerol sulfates interact with the SARS-CoV-2 virus via its spike protein, and highlight importance of electrostatic interactions within it. All-atom molecular dynamics simulations reveal that the fullerene binding site is situated close to the receptor binding domain, within 4 nm of polyglycerol sulfate binding sites, feasibly allowing both portions of the material to interact simultaneously.
KW - Covalent functionalization
KW - Fullerene
KW - SARS-CoV 2
KW - Sulfated materials
KW - Virus inhibition
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568672
DO - https://doi.org/10.1002/smll.202206154
SN - 1613-6810
SP - 1
EP - 8
PB - Wiley VCH
AN - OPUS4-56867
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Knigge, Xenia
A1 - Radnik, Jörg
T1 - 1,3-Dimethyl-imidazolium dimethyl phosphate ([MMIM]+[DMP]−) analyzed by XPS and HAXPES
N2 - The ionic liquid 1,3-dimethyl-imidazolium-dimethylphosphate ([MMIM]+[DMP]−) was analyzed using (hard) x-ray photoelectron spectroscopy.
Here, XPS and HAXPES spectra are shown in comparison. For the acquisition of the XPS spectra, monochromatic Al Kα radiation at 1486.6 eV was used, while for the acquisition of the HAXPES spectra, monochromatic Cr Kα radiation at 5414.8 eV was applied. Here, survey scans and high-resolution spectra of P 2p, P 2s, C 1s, O 1s, and N 1s for both methods and P 1s, P KL2,3L2,3, and P KL1L2,3 for HAXPES are shown.
KW - C7H15N2O4P
KW - [MMIM]+[DMP]−
KW - Lonic liquid
KW - Hard x-ray photoelectron spectroscopy
KW - HAXPES
KW - XPS
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-571604
DO - https://doi.org/10.1116/6.0002297
VL - 30
IS - 1
SP - 1
EP - 20
PB - AIP Publishing
AN - OPUS4-57160
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bennet, Francesca
A1 - Opitz, R.
A1 - Ghoreishi, N.
A1 - Plate, K.
A1 - Barnes, J.-P.
A1 - Bellew, A.
A1 - Bellu, A.
A1 - Ceccone, G.
A1 - de Vito, E.
A1 - Delcorte, A.
A1 - Franquet, A.
A1 - Fumageli, F.
A1 - Gilliland, D.
A1 - Jungnickel, H.
A1 - Lee, T.G.
A1 - Poleunis, C.
A1 - Rading, D.
A1 - Shon, H.K.
A1 - Spampinato, V.
A1 - Son, J.G.
A1 - Wang, F.
A1 - Wang, Y.-C. A.
A1 - Zhao, Y.
A1 - Roloff, A.
A1 - Tentschert, J.
A1 - Radnik, Jörg
T1 - VAMAS TWA2 interlaboratory comparison: Surface analysis of TiO2 nanoparticles using ToF-SIMS
N2 - Due to the extremely high specific surface area of nanoparticles and corresponding potential for adsorption, the results of surface analysis can be highly dependent on the history of the particles, particularly regarding sample preparation and storage. The sample preparation method has, therefore, the potential to have a significant influence on the results. This report describes an interlaboratory comparison (ILC) with the aim of assessing which sample preparation methods for ToF-SIMS analysis of nanoparticles provided the most intra- and interlaboratory consistency and the least amount of sample contamination. The BAM reference material BAM-P110 (TiO2 nanoparticles with a mean Feret diameter of 19 nm) was used as a sample representing typical nanoparticles. A total of 11 participants returned ToF-SIMS data,in positive and (optionally) negative polarity, using sample preparation methods of “stick-and-go” as well as optionally “drop-dry” and “spin-coat.” The results showed that the largest sources of variation within the entire data set were caused by adventitious hydrocarbon contamination or insufficient sample coverage, with the spin-coating protocol applied in this ILC showing a tendency toward insufficient sample coverage; the sample preparation method or the participant had a lesser influence on results.
KW - Secondary Ion Mass Spectrometry
KW - VMAAS
KW - Titania
KW - Interlaboratory comparison
KW - Reproducibility
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-582290
DO - https://doi.org/10.1116/6.0002814
SN - 0734-2101
VL - 41
IS - 5
SP - 053210-1
EP - 053210-13
PB - AIP (American Institute of Physics)
AN - OPUS4-58229
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Getenet, M.
A1 - Otálora, F.
A1 - Emmerling, Franziska
A1 - Al-Sabbagh, Dominik
A1 - García-Ruiz, J. M.
T1 - Mineral precipitation and hydrochemical evolution through evaporitic processes in soda brines (East African Rift Valley)
N2 - Soda lakes of the East African Rift Valley are hyperalkaline, hypersaline lakes extremely enriched in Na+, K+, Cl−, CO32−, HCO3−, and SiO2. In this paper, we investigate the chemical evolution in these lakes and the production of chemical sediments by salt precipitation via evaporation. Water samples from tributary springs and three lakes (Magadi, Nasikie Engida and Natron) have been experimentally studied by in-situ X-ray diffraction during evaporation experiments to characterize the sequence of mineral precipitation. These data are complemented by ex-situ diffraction studies, chemical analyses and thermodynamic hydrochemical calculations producing detailed information on the activity of all solution species and the saturation state of all minerals potentially generated by the given composition. Major minerals precipitating from these samples are sodium carbonates/bicarbonates as well as halite. The CO3/HCO3 ratio, controlled by pH, is the main factor defining the Na‑carbonates precipitation sequence: in lake brines where CO3/HCO3 > 1, trona precipitates first whereas in hot springs, where CO3/HCO3 ≪ 1, nahcolite precipitates instead of trona, which forms later via partial dissolution of nahcolite. Precipitation of nahcolite is possible only at lower pH values (pCO2 higher than −2.7) explaining the distribution of trona and nahcolite in current lakes and the stratigraphic sequences. Later, during evaporation, thermonatrite precipitates, normally at the same time as halite, at a very high pH (>11.2) after significant depletion of HCO3− due to trona precipitation. The precipitation of these soluble minerals increases the pH of the brine and is the main factor contributing to the hyperalkaline and hypersaline character of the lakes. Villiaumite, sylvite, alkaline earth carbonates, fluorapatite and silica are also predicted to precipitate, but most of them have not been observed in evaporation experiments, either because of the small amount of precipitates produced, kinetic effects delaying the nucleation of some phases, or by biologically induced effects in the lake chemistry that are not considered in our calculations. Even in these cases, the chemical composition in the corresponding ions allows for discussion on their accumulation and the eventual precipitation of these phases. The coupling of in-situ and ex-situ experiments and geochemical modelling is key to understanding the hydrogeochemical and hydroclimatic conditions of soda lakes, evaporite settings, and potentially soda oceans of early Earth and other extraterrestrial bodies.
KW - Crystallization sequence
KW - Hydrochemical evolution
KW - Alkaline brines
KW - Sodium carbonate minerals
KW - Soda lakes
KW - Evaporite deposits
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568431
DO - https://doi.org/10.1016/j.chemgeo.2022.121222
SN - 0009-2541
VL - 616
SP - 1
EP - 13
PB - Elsevier
CY - New York, NY
AN - OPUS4-56843
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Karafiludis, Stephanos
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Heinekamp, Christian
A1 - Smales, Glen Jacob
A1 - Hodoroaba, Vasile-Dan
A1 - ten Elshof, J. E.
A1 - Emmerling, Franziska
A1 - Stawski, Tomasz
T1 - Template-free synthesis of mesoporous, amorphous transition metal phosphate materials
N2 - We present how mesoporosity can be engineered in transition metal phosphate (TMPs) materials in a template-free manner. The method involves a transformation of a precursor metal phosphate phase, called M-struvite (NH4MPO4·6H2O, M = Mg2+, Ni2+, Co2+, NixCo1-x2+). It relies on the thermal decomposition of crystalline M-struvite precursors to an amorphous and simultaneously mesoporous phase, which forms while degassing of NH3 and H2O. The temporal evolution of mesoporous frameworks and the response of the metal coordination environment were followed with in-situ and ex-situ scattering and diffraction, as well as X -ray spectroscopy. Despite sharing the same precursor struvite structure, different amorphous and mesoporous structures were obtained depending on the involved transition metal. We highlight the systematic differences in absolute surface area, pore shape, pore size, and phase transitions depending on a metal cation present in the analogous M-struvites. The amorphous structures of thermally decomposed Mg-, Ni- and NixCo1-x-struvites exhibit high surface areas and pore volumes (240 m²g-1 and 0.32 cm-3 g-1 for Mg and 90 m²g-1 and 0.13 cm-3 g-1 for Ni). We propose that the low-cost, environmentally friendly M-struvites could be obtained as recycling products from industrial and agricultural wastewaters. These waste products could be then upcycled into mesoporous TMPs through a simple thermal treatment for further applications, for instance, in (electro)catalysis.
KW - Struvite
KW - Pphosphates
KW - Transition metal
KW - In-situ SAXS/WAXS
KW - Mesoporosity
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-569503
DO - https://doi.org/10.1039/D2NR05630E
SN - 2040-3364
SP - 1
EP - 15
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-56950
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Karafiludis, Stephanos
A1 - Bhattacharya, Biswajit
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Fink, Friedrich
A1 - Feldmann, Ines
A1 - ten Elshof, J. E.
A1 - Emmerling, Franziska
A1 - Stawski, Tomasz
T1 - Thermally processed Ni-and Co-struvites as functional materials for proton conductivity
N2 - We present how mesoporosity can be engineered in transition metal phosphate (TMPs) materials in a template-free manner. The method involves the transformation of a precursor metal phosphate phase, called M-struvite (NH4MPO4·6H2O, M = Mg2+, Ni2+, Co2+, NixCo1−x2+). It relies on the thermal decomposition of crystalline M-struvite precursors to an amorphous and simultaneously mesoporous phase, which forms during degassing of NH3 and H2O. The temporal evolution of mesoporous frameworks and the response of the metal coordination environment were followed by in situ and ex situ scattering and diffraction, as well as X-ray spectroscopy. Despite sharing the same precursor struvite structure, different amorphous and mesoporous structures were obtained depending on the involved transition metal. We highlight the systematic differences in absolute surface area, pore shape, pore size, and phase transitions depending on the metal cation present in the analogous M-struvites. The amorphous structures of thermally decomposed Mg-, Ni- and NixCo1−x-struvites exhibit high surface areas and pore volumes (240 m2 g−1 and 0.32 cm−3 g−1 for Mg and 90 m2 g−1 and 0.13 cm−3 g−1 for Ni). We propose that the low-cost, environmentally friendly M-struvites could be obtained as recycling products from industrial and agricultural wastewaters. These waste products could be then upcycled into mesoporous TMPs through a simple thermal treatment for further application, for instance in (electro)catalysis.
KW - Struvite
KW - Phosphates
KW - Transition metals
KW - Proton conductivity
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-575862
DO - https://doi.org/10.1039/D3DT00839H
SN - 1477-9226
SP - 1
EP - 13
PB - Royal Society of Chemisty (RSC)
CY - London/Cambridge
AN - OPUS4-57586
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Karafiludis, Stephanos
A1 - Ryll, T. W.
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Emmerling, Franziska
A1 - Stawski, Tomasz Maciej
T1 - Phase stability studies on transition metal phosphates aided by an automated synthesis
N2 - Transition metal phosphates (TMPs) have attracted interest as materials for (electro-) catalysis, and electrochemistry due to their low-cost, stability, and tunability. In this work, an automated synthesis platform was used for the preparation of transition metal phosphate crystals to efficiently explore the multidimensional parameter space, determining the phase selection, crystal sizes, shapes. By using X-ray diffraction and spectroscopy-based methods and electron microscopy imaging, a complete characterization of the phase stability fields, phase transitions, and crystal morphology/sizes was achieved. In an automated three-reactant synthesis, the individual effect of each reactant species NH4+, M2+, and PO43- on the formation of transition metal phosphate phases: M-struvite NH4MPO4·6H2O, M-phosphate octahydrate M3(PO4)2·8H2O with M = Ni, Co and an amorphous phase, was investigated. The NH4+ concentration dictates the phase composition, morphology, and particle size in the Ni-system (crystalline Ni-struvite versus amorphous Ni-PO4 phase), whereas in the Co-system all reactant species - NH4+, Co2+, and PO43- - influence the reaction outcome equivalently (Co-struvite vs. Co-phosphate octahydrate). The coordination environment for all crystalline compounds and of the amorphous Ni-PO4 phase was resolved by X-ray absorption spectroscopy, revealing matching characteristics to its crystalline analogue, Ni3(PO4)2·8H2O. The automated synthesis turned out to be significantly advantageous for the exploration of phase diagrams due to its simple modularity, facile traceability, and enhanced reproducibility compared to a typical manual synthesis.
KW - Automated synthesis
KW - Phase diagrams
KW - Transition metals
KW - Phosphates
KW - Local structure
KW - Struvite
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-579151
DO - https://doi.org/10.1039/D3CE00386H
VL - 25
IS - 30
SP - 4333
EP - 4344
PB - CrystEngComm
CY - London
AN - OPUS4-57915
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rautenberg, Max
A1 - Akhmetova, Irina
A1 - Das, Chayanika
A1 - Bhattacharya, Biswajit
A1 - Emmerling, Franziska
T1 - Synthesis and In Situ Monitoring of Mechanochemical Preparation of Highly Proton Conductive Hydrogen-Bonded Metal Phosphonates
N2 - Crystalline porous materials are recognized as promising proton conductors for the proton exchange membrane (PEM) in fuel cell technology owing to their tunable framework structure. However, it is still a challenging bulk synthesis for real-world applications of these materials. Herein, we report the mechanochemical gram-scale synthesis of two isostructural metal hydrogen-bonded organic frameworks (MHOFs) of Co(II) and Ni(II) based on 1-hydroxyethylidenediphosphonic acid (HEDPH4) with 2,2′-bipyridine (2,2′-bipy): Co(HEDPH3)2(2,2′-bipy)·H2O (1) and Ni(HEDPH3)2(2,2′-bipy)·H2O (2). In situ monitoring of the mechanochemical synthesis using different synchrotron-based techniques revealed a one-step mechanism – the starting materials are directly converted to the product. With the existence of extensive hydrogen bonds with amphiprotic uncoordinated phosphonate hydroxyl and oxygen atoms, both frameworks exhibited proton conduction in the range of 10–4 S cm–1 at room temperature under humid conditions. This study demonstrates the potential of green mechanosynthesis for bulk material preparation of framework-based solid-state proton conductors.
KW - Mechanochemistry
KW - Proton conductivity
KW - Metal Organic Frameworks
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-577777
DO - https://doi.org/10.1021/acssuschemeng.2c07509
VL - 8
IS - 19
SP - 16687
EP - 16693
PB - ACS Publications
AN - OPUS4-57777
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bui, M.
A1 - Hoffmann, K. F.
A1 - Braun, T.
A1 - Riedel, S.
A1 - Heinekamp, Christian
A1 - Scheurell, K.
A1 - Scholz, G.
A1 - Stawski, Tomasz
A1 - Emmerling, Franziska
T1 - An Amorphous Teflate Doped Aluminium Chlorofluoride:
A Solid Lewis-Superacid for the Dehydrofluorination of
Fluoroalkanes
N2 - Ananion-dopedaluminiumchlorofluoride AlCl0.1F2.8(OTeF5)0.1(ACF-teflate) was synthesized.The material contains pentafluor-oorthotellurate(teflate)groups, which mimic fluoride ions electronically, but are sterically more demanding. They are embedded into the amorphous structure. The latter was studied by PDF analysis, EXAFS data and MAS NMR spectroscopy. The mesoporous powder is a Lewis superacid, and ATR-IR spectra of adsorbed CD3CN reveal a blue-shift of the adsorption band by73 cm-1, which is larger than the shift for SbF5. Remarkably,ACF-teflate catalyzes dehydrofluorination reactions of mono-fluoroalkanes to yield olefins in C6D6. In these cases,no Friedel-Crafts products were formed.
KW - Aluminium fluorides
KW - Aluminium teflates
KW - C-F bond activation
KW - Lewis superacids
KW - Silanes
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-572290
DO - https://doi.org/10.1002/cctc.202300350
SN - 1867-3880
SP - 1
EP - 7
PB - Wiley VHC-Verlag
AN - OPUS4-57229
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Altmann, Korinna
A1 - Goedecke, Caroline
A1 - Bannick, C.-G.
A1 - Abusafia, A.
A1 - Scheid, C.
A1 - Steinmetz, H.
A1 - Paul, Andrea
A1 - Beleites, C.
A1 - Braun, U.
T1 - Identification of microplastic pathways within a typical European urban wastewater system
N2 - In recent years, thermoextraction/desorption-gas chromatography/mass spectrometry (TED-GC/MS) has been developed as a rapid detection method for the determination of microplastics (MP) mass contents in numerous environmentally relevant matrices and, in particular, for the measurement of polymers in water samples without time-consuming sample preparation. The TED-GC/MS method was applied to investigate a typical European municipal wastewater system for possible MP masses. Such investigations are important in view of the recent revision of the Urban Wastewater Treatment Directive. Four different representative sampling sites were selected: greywater (domestic wastewater without toilet), combined sewer, and influent and effluent of a wastewater treatment plant (WWTP). All samples were collected by fractional filtration. Filtration was carried out over mesh sizes of 500, 100, 50, and in some cases, 5 µm. Polyethylene (PE), polypropylene (PP), and polystyrene (PS) were detected in all samples, with the PE fraction dominating in all cases. Styrene-butadiene rubber which serves as an indication of tire abrasion, was only found in the influent of the WWTP. The highest MP mass contents were found in the combined sewer, so MP can become a source of pollution during heavy rain events when the capacity limits of the effluent are reached, and the polluted effluent is released uncontrolled into the environment. Based on the studies, MP retention from the WWTP could be estimated to be approximately 96%. Few trends in polymer type or mass contents were detected within the different fractions of the samples or when comparing samples to each other.
KW - Microplastics
KW - Microplastic analysis
KW - TED-GC/MS
KW - Microplastic pathways
KW - Mass contents
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568289
DO - https://doi.org/doi.org/10.1002/appl.202200078
SP - 1
EP - 10
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-56828
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Heinekamp, Christian
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Ahrens, M.
A1 - Braun, T.
A1 - Emmerling, Franziska
T1 - An amorphous Lewis-acidic zirconium chlorofluoride as HF shuttle: C–F bond activation and formation
N2 - An exceptional HF transfer reaction by C–F bond activation of fluoropentane and a subsequent hydrofluorination of alkynes at room temperature is reported. An amorphous Lewis-acidic Zr chlorofluoride serves as heterogeneous catalyst, which is characterised by an eightfold coordination environment at Zr including chlorine atoms. The studies are seminal in establishing sustainable fluorine chemistry.
KW - ZCF
KW - Heterogeneous catalysis
KW - C-F bond activation
KW - HF-shuttle
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-582249
DO - https://doi.org/10.1039/D3CC03164K
SN - 1359-7345
VL - 59
IS - 75
SP - 11224
EP - 11227
PB - RSC
CY - Cambridge
AN - OPUS4-58224
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bhattacharya, Biswajit
A1 - Michalchuk, Adam
A1 - Silbernagl, Dorothee
A1 - Yasuda, N.
A1 - Feiler, Torvid
A1 - Sturm, Heinz
A1 - Emmerling, Franziska
T1 - An atomistic mechanism for elasto-plastic bending in molecular crystals
N2 - Mechanically flexible single crystals of molecular materials offer potential for a multitude of new directions in advanced materials design. Before the full potential of such materials can be exploited, insight into their mechanisms of action must be better understood. Such insight can be only obtained through synergistic use of advanced experimentation and simulation. We herein report the first detailed mechanistic study of elasto-plastic flexibility in a molecular solid. An atomistic origin for this mechanical behaviour is proposed through a combination of atomic force microscopy, μ-focus synchrotron X-ray diffraction, Raman spectroscopy, ab initio simulation, and computed elastic tensors. Our findings suggest that elastic and plastic bending are intimately linked and result from extensions of the same molecular deformations. The proposed mechanism bridges the gap between contested mechanisms, suggesting its applicability as a general mechanism for elastic and plastic bending in organic molecular crystals.
KW - Mechanical property
KW - Mechanical flexibility
KW - Organic crystal
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-577722
DO - https://doi.org/10.1039/D2SC06470G
SN - 2041-6520
VL - 14
IS - 13
SP - 3441
EP - 3450
PB - Royal Society of Chemisty (RSC)
CY - London/Cambridge
AN - OPUS4-57772
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Feiler, Torvid
A1 - Yasuda, N.
A1 - Michalchuk, Adam
A1 - Emmerling, Franziska
A1 - Bhattacharya, Biswajit
T1 - Mechanistic Investigation of an Elastically Flexible Organic Crystal
N2 - Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.
KW - Flexible crystals
KW - DFT calculation
KW - Bending mechanism
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-581949
DO - https://doi.org/10.1021/acs.cgd.3c00473
SN - 1528-7483
VL - 23
IS - 9
SP - 6244
EP - 6249
PB - ACS Publications
AN - OPUS4-58194
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kader, A.
A1 - Kaufmann, Jan Ole
A1 - Mangarova, D. B.
A1 - Moeckel, J.
A1 - Adams, L. C.
A1 - Brangsch, J.
A1 - Heyl, J. L.
A1 - Zhao, J.
A1 - Verlemann, C.
A1 - Karst, U.
A1 - Collettini, F.
A1 - Auer, T. A.
A1 - Hamm, B.
A1 - Makowski, M. R.
T1 - Collagen-specific molecular magnetic resonance imaging of prostate cancer
N2 - Constant interactions between tumor cells and the extracellular matrix (ECM) influence the progression of prostate cancer (PCa). One of the key components of the ECM are collagen fibers, since they are responsible for the tissue stiffness, growth, adhesion, proliferation, migration, invasion/metastasis, cell signaling, and immune recruitment of tumor cells. To explore this molecular marker in the content of PCa, we investigated two different tumor volumes (500 mm3 and 1000 mm3) of a xenograft mouse model of PCa with molecular magnetic resonance imaging (MRI) using a collagen-specific probe. For in vivo MRI evaluation, T1-weighted sequences before and after probe administration were analyzed. No significant signal difference between the two tumor volumes could be found. However, we detected a significant difference between the signal intensity of the peripheral tumor area and the central area of the tumor, at both 500 mm3 (p < 0.01, n = 16) and at 1000 mm3 (p < 0.01, n = 16). The results of our histologic analyses confirmed the in vivo studies: There was no significant difference in the amount of collagen between the two tumor volumes (p > 0.05), but within the tumor, higher collagen expression was observed in the peripheral area compared with the central area of the tumor. Laser ablation with inductively coupled plasma mass spectrometry further confirmed these results. The 1000 mm3 tumors contained 2.8 +- 1.0% collagen and the 500 mm3 tumors contained 3.2 +- 1.2% (n = 16). There was a strong correlation between the in vivo MRI data and the ex vivo histological data (y = 0.068x + 1.1; R2 = 0.74) (n = 16). The results of elemental analysis by inductively coupled plasma mass spectrometry supported the MRI data (y = 3.82x + 0.56; R2 = 0.79; n = 7). MRI with the collagen-specific probe in PCa enables differentiation between different tumor areas. This may help to differentiate tumor from healthy tissue, potentially identifying tumor areas with a specific tumor biology.
KW - Molecular imaging
KW - Magnetic resonance imaging
KW - MRI
KW - Prostate cancer
KW - Collagen
KW - Laser ablation-inductively coupled plasma-mass spectroscopy
KW - EP-3533
KW - Peptide probe
KW - Gd-DOTA
KW - Contrast agent
KW - Tumor
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568449
DO - https://doi.org/10.3390/ijms24010711
SN - 1422-0067
SN - 1661-6596
VL - 24
IS - 1
SP - 1
EP - 13
PB - MDPI
CY - Basel
AN - OPUS4-56844
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tannenberg, Robert
A1 - Paul, Martin
A1 - Röder, Bettina
A1 - Gande, S. L.
A1 - Sreeramulu, S.
A1 - Saxena, K.
A1 - Richter, C.
A1 - Schwalbe, H.
A1 - Swart, C.
A1 - Weller, Michael G.
T1 - Chemiluminescence biosensor for the determination of cardiac troponin I (cTnI)
N2 - Cardiac troponin I (cTnI) is a crucial biomarker for diagnosing cardiac vascular diseases, including acute myocardial infarction (AMI). This study presents a proof-of-concept chemiluminescence-based immunosensor for rapid and accurate measurement of cTnI, with the potential for online monitoring. The immunosensor incorporates a flow cell design and a sensitive complementary metal-oxide-semiconductor (CMOS) camera for optical readout. A microfluidic setup was established to enable selective and quasi-online determination of cTnI within ten minutes. The sensor was tested with recombinant cTnI in phosphate buffer, demonstrating measurements in the concentration range of 2–25 µg/L, with a limit of detection (LoD) of 0.6 µg/L (23 pmol/L) achieved using the optimized system. The immunosensor exhibited high selectivity, as no cross-reactivity was observed with other recombinant proteins such as cTnT and cTnC at a concentration of 16 µg/L. Measurements with diluted blood plasma and serum yielded an LoD of 60 µg/L (2.4 nmol/L) and 70 µg/L (2.9 nmol/L), respectively. This biosensor offers a promising approach for the rapid and sensitive detection of cTnI, contributing to the diagnosis and management of acute myocardial infarction and other cardiac vascular diseases.
N2 - Das kardiale Troponin I (cTnI) ist ein wichtiger Biomarker für die Diagnose von Herz-Kreislauf-Erkrankungen, einschließlich des akuten Myokardinfarkts (AMI). In dieser Studie wird ein auf Chemilumineszenz basierender Immunsensor für die schnelle und genaue Messung von cTnI vorgestellt, der das Potenzial für eine Online-Überwachung hat. Der Immunsensor besteht aus einer Durchflusszelle und einer empfindlichen CMOS-Kamera (Complementary Metal-Oxide-Semiconductor) zur optischen Detektion. Es wurde ein mikrofluidischer Aufbau entwickelt, der eine selektive und quasi Online-Bestimmung von cTnI innerhalb von zehn Minuten ermöglicht. Der Sensor wurde mit rekombinantem cTnI in Phosphatpuffer getestet und zeigte einen Messbereich von 2-25 µg/L, wobei mit dem optimierten System eine Nachweisgrenze (LoD) von 0,6 µg/L (23 pmol/L) erreicht wurde. Der Immunsensor zeigte eine hohe Selektivität, da keine Kreuzreaktivität mit anderen rekombinanten Proteinen wie cTnT und cTnC bei einer Konzentration von 16 µg/L beobachtet wurde. Messungen mit verdünntem Blutplasma und Serum ergaben einen LoD von 60 µg/L (2,4 nmol/L) bzw. 70 µg/L (2,9 nmol/L). Dieser Biosensor bietet einen vielversprechenden Ansatz für den schnellen und empfindlichen Nachweis von cTnI, der zur Diagnose und Behandlung des akuten Myokardinfarkts und anderer kardialer Gefäßerkrankungen beitragen kann.
KW - Acute myocardial infarction
KW - Heart attack
KW - Emergency
KW - Diagnosis
KW - Cardiac troponin
KW - Biomarker
KW - Immunosensor
KW - Biosensor
KW - Chemiluminescence
KW - Luminol
KW - Peroxidase
KW - Monoclonal antibodies
KW - Flow injection immunoassay
KW - Immunometric assay
KW - Immunometric biosensor
KW - Microfluidic system
KW - Monolithic column
KW - Online biosensor
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-575471
DO - https://doi.org/10.3390/bios13040455
SN - 2079-6374
VL - 13
IS - 4
SP - 1
EP - 20
PB - MDPI
CY - Basel
AN - OPUS4-57547
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Völzke, Jule L.
A1 - Smatty, Sarah
A1 - Döring, Sarah
A1 - Ewald, Shireen
A1 - Oelze, Marcus
A1 - Fratzke, Franziska
A1 - Flemig, Sabine
A1 - Konthur, Zoltán
A1 - Weller, Michael G.
T1 - Efficient Purification of Polyhistidine-Tagged Recombinant Proteins Using Functionalized Corundum Particles
N2 - Immobilized metal affinity chromatography (IMAC) is a widely used technique for purifying polyhistidine-tagged recombinant proteins. However, it often has practical limitations that require complex optimizations and additional steps for purification. In this study, we introduce functionalized corundum particles as a novel, efficient, and economical method for purifying recombinant proteins in a column-free format. The corundum surface is modified with amino silane APTES, followed by EDTA dianhydride, and then loaded with nickel ions. We used the Kaiser test to monitor the modification process and ICP-MS to quantify the metal-binding capacity. To evaluate the system, we used His-tagged protein A/G (PAG) mixed with bovine serum albumin (BSA). The corundum particles exhibited a binding capacity of approximately 3 mg of protein per gram of corundum or 2.4 mg per 1 mL of corundum suspension. We also examined cytoplasm obtained from different E. coli strains as an example of a complex matrix. Varying the imidazole concentration in the loading and washing buffers showed that higher concentrations during loading improved purity. Even with sample volumes as large as one liter, we successfully isolated recombinant proteins down to a concentration of 1 µg/mL. We found higher purity levels with corundum when comparing the corundum material to standard Ni–NTA agarose beads. We successfully purified His6-MBP-mSA2, a fusion protein comprising monomeric streptavidin and maltose-binding protein, from E. coli cytoplasm, demonstrating the method's applicability. We also purified SARS-CoV-2-S-RBD-His8 expressed in human Expi293F cells, confirming its suitability for mammalian cell culture supernatants. The material cost of the nickel-loaded corundum material (without regeneration) is estimated to be less than 30 cents per gram of functionalized support or 10 cents per milligram of isolated protein. Another advantage of this system is the exceptional physical and chemical stability of corundum particles. Overall, we have demonstrated that this novel material offers an efficient, robust, and cost-effective purification platform for His-tagged proteins, even in challenging, complex matrices and large sample volumes with low product concentrations. This method has potential applications in both small laboratories and large-scale industrial settings.
N2 - Die immobilisierte Metallaffinitätschromatographie (IMAC) ist eine weit verbreitete Technik zur Reinigung von rekombinanten Proteinen mit Polyhistidin-Markierung. Sie hat jedoch oft praktische Einschränkungen, die komplexe Optimierungen und zusätzliche Schritte für die Aufreinigung erfordern. In dieser Studie stellen wir funktionalisierte Korundpartikel als neuartige, effiziente und wirtschaftliche Methode zur Reinigung rekombinanter Proteine in einem säulenfreien Format vor. Die Korundoberfläche wird mit dem Aminosilan APTES und anschließend mit EDTA-Dianhydrid modifiziert und dann mit Nickelionen beladen. Wir haben den Kaiser-Test zur Überwachung des Modifizierungsprozesses und ICP-MS zur Quantifizierung der Metallbindungskapazität verwendet. Zur Charakterisierung des Systems verwendeten wir His-markiertes Protein A/G (PAG) in Kombination mit Rinderserumalbumin (BSA). Die Korundpartikel wiesen eine Bindungskapazität von etwa 3 mg Protein pro Gramm Korund oder 2,4 mg pro 1 ml Korundsuspension auf. Als Beispiel für eine komplexe Matrix untersuchten wir auch Zytoplasma, das aus verschiedenen E. coli-Stämmen gewonnen wurde. Die Variation der Imidazolkonzentration in den Lade- und Waschpuffern zeigte, dass höhere Konzentrationen beim Laden die Reinheit verbesserten. Selbst bei einem Probenvolumen von bis zu einem Liter konnten wir rekombinante Proteine von 1 µg/mL isolieren. Beim Vergleich des Korundmaterials mit Standard-Ni-NTA-Agarose-Beads stellten wir einen höheren Reinheitsgrad mit Korund fest. Wir reinigten erfolgreich His6-MBP-mSA2 aus E. coli-Zytoplasma, ein Fusionsprotein, das aus monomerem Streptavidin und Maltose-bindendem Protein besteht. Wir reinigten auch SARS-CoV-2-S-RBD-His8, das in humanen Expi293F-Zellen exprimiert wurde, und bestätigten damit die Eignung des Materials für Zellkulturüberstände von Säugetieren. Die Materialkosten für nickelbeladenen Korund (ohne Regenerierung) werden auf weniger als 30 Cent pro Gramm funktionalisierten Trägers oder 10 Cent pro Milligramm isolierten Proteins geschätzt. Ein weiterer Vorteil dieses Systems ist die außergewöhnliche physikalische und chemische Stabilität der Korundpartikel. Insgesamt haben wir gezeigt, dass dieses neuartige Material eine effiziente, robuste und kostengünstige Reinigungsplattform für His-markierte Proteine bietet, selbst bei schwierigen, komplexen Matrices und großen Probenmengen mit niedrigen Produktkonzentrationen. Diese Methode könnte sowohl in kleinen Labors als auch in der Großindustrie eingesetzt werden.
KW - Aluminum oxide
KW - Sapphire
KW - Ethylenediaminetetraacetic acid
KW - Nickel chelate
KW - EDTAD
KW - HexaHis-Tag
KW - His6
KW - 6xHis
KW - His8
KW - Bioseparation
KW - IMAC purification
KW - Immunocapture
KW - Affinity chromatography
KW - Carrier
KW - Nickel
KW - Recombinant protein
KW - Escherichia coli
KW - Bacterial lysates
KW - Cytoplasm
KW - Polishing
KW - Downstream processing
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-575672
DO - https://doi.org/10.3390/biotech12020031
VL - 12
IS - 2
SP - 1
EP - 18
PB - MDPI
CY - Basel, Schweiz
AN - OPUS4-57567
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Filimonova, S. M.
A1 - Melnikov, E. S.
A1 - Kaufmann, Jan Ole
A1 - Shchepochkina, O. Y.
A1 - Eremin, S. A.
A1 - Gravel, I. V.
A1 - Raysyan, Anna
T1 - Exploring the anti‐α‐amylase activity of flavonoid aglycones in fabaceae plant extracts: a combined MALDI‐TOF‐MS and LC–MS/MS approach
N2 - A combination of TLC-bioautography, MALDI-TOF-MS and LC–MS/MS methods was used to identify flavonoids with anti-α-amylase activity in extracts of Lathyrus pratensis L. (herb), L. polyphillus L. (fruits), Thermopsis lanceolata R. Br. (herb) and S. japonica L. (buds). After the TLC-autobiography assay, substances with anti-amylase activity were identified by MALDI-TOF-MS followed by confirmation of the result by LC–MS/MS. Results of the study revealed that the flavonoids apigenin, luteolin, formononetin, genistein and kaempferol display marked anti-α-amylase activity. Formononetin showed the largest activity. Compared with LC–MS/MS, MALDI-TOF-MS is a quick and convenient method; results can be obtained within minutes; and only minor sample amounts are required which allows us to analyse mixtures of substances without preliminary separation. However, the inability to distinguish between isomers is the main limitation of the method.
KW - Enzyme
KW - MALDI-TOF-MS
KW - LC-MS/MS
KW - Massenspektrometrie
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-577128
DO - https://doi.org/https://doi.org/10.1111/ijfs.16491
SN - 0950-5423
VL - 58
IS - 7
SP - 3902
EP - 3911
PB - Wiley & Sons
CY - Hoboken, NJ, USA
AN - OPUS4-57712
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ghiringhelli, Luca M.
A1 - Baldauf, Carsten
A1 - Bereau, Tristan
A1 - Brockhauser, Sandor
A1 - Carbogno, Christian
A1 - Chamanara, Javad
A1 - Cozzini, Stefano
A1 - Curtarolo, Stefano
A1 - Draxl, Claudia
A1 - Dwaraknath, Shyam
A1 - Fekete, Ádám
A1 - Kermode, James
A1 - Koch, Christoph T.
A1 - Kühbach, Markus
A1 - Ladines, Alvin Noe
A1 - Lambrix, Patrick
A1 - Himmer, Maja-Olivia
A1 - Levchenko, Sergey V.
A1 - Oliveira, Micael
A1 - Michalchuk, Adam
A1 - Miller, Ronald E.
A1 - Onat, Berk
A1 - Pavone, Pasquale
A1 - Pizzi, Giovanni
A1 - Regler, Benjamin
A1 - Rignanese, Gian-Marco
A1 - Schaarschmidt, Jörg
A1 - Scheidgen, Markus
A1 - Schneidewind, Astrid
A1 - Sheveleva, Tatyana
A1 - Su, Chuanxun
A1 - Usvyat, Denis
A1 - Valsson, Omar
A1 - Wöll, Christof
A1 - Scheffler, Matthias
T1 - Shared metadata for data-centric materials science
N2 - The expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR-data principles (Findable, Accessible, Interoperable, and Reusable) must not be too narrow. Besides, the wider materials-science community ought to agree on the strategies to tackle the challenges that are specific to its data, both from computations and experiments. In this paper, we present the result of the discussions held at the workshop on “Shared Metadata and Data Formats for Big-Data Driven Materials Science”. We start from an operative definition of metadata, and the features that a FAIR-compliant metadata schema should have. We will mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows. Finally, challenges with the FAIRification of experimental (meta)data and materials-science ontologies are presented together with an outlook of how to meet them.
KW - Library and Information Sciences
KW - Statistics, Probability and Uncertainty
KW - Computer Science Applications
KW - Education
KW - Information Systems
KW - Statistics and Probability
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584846
DO - https://doi.org/10.1038/s41597-023-02501-8
VL - 10
IS - 1
SP - 1
EP - 18
PB - Springer Science and Business Media LLC
AN - OPUS4-58484
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Driscoll, Laura L.
A1 - Driscoll, Elizabeth H.
A1 - Dong, Bo
A1 - Sayed, Farheen N.
A1 - Wilson, Jacob N.
A1 - O’Keefe, Christopher A.
A1 - Gardner, Dominic J.
A1 - Grey, Clare P.
A1 - Allan, Phoebe K.
A1 - Michalchuk, Adam
A1 - Slater, Peter R.
T1 - Under pressure: offering fundamental insight into structural changes on ball milling battery materials
N2 - Synthesis of Li ion battery materials via ball milling has been a huge area of growth, leading to new high-capacity electrode materials, such as a number of promising disordered rocksalt (DRS) phases. In prior work, it was generally assumed that the synthesis was facilitated simply by local heating effects during the milling process. In this work, we show that ball milling Li2MoO4 leads to a phase transformation to the high pressure spinel polymorph and we report electrochemical data for this phase. This observation of the formation of a high pressure polymorph shows that local heating effects alone cannot explain the phase transformation observed (phenakite to spinel) and so indicates the importance of other effects. In particular, we propose that when the milling balls collide with the material, the resulting shockwaves exert a localised pressure effect, in addition to local heating. To provide further support for this, we additionally report ball milling results for a number of case studies (Li2MnO3, Li2SnO3, Nb2O5) which reinforces the conclusion that local heating alone cannot explain the phase transformations observed. The work presented thus provides greater fundamental understanding of milling as a synthetic pathway and suggests potential strategies to prepare such samples without milling (e.g., doping to create internal chemical pressure). In addition, we suggest that further research is needed into the effect of the use of milling as a route to smaller particles, since we believe that such milling may also be affecting the surface structure of the particles through the influence of the shockwaves generated.
KW - Pollution
KW - Nuclear Energy and Engineering
KW - Sustainability and the Environment
KW - Environmental Chemistry
KW - Renewable Energy
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-590086
DO - https://doi.org/10.1039/d3ee00249g
VL - 16
IS - 11
SP - 5196
EP - 5209
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-59008
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Linberg, Kevin
A1 - Szymoniak, Paulina
A1 - Schönhals, Andreas
A1 - Emmerling, Franziska
A1 - Michalchuk, Adam
T1 - The Origin of Delayed Polymorphism in Molecular Crystals Under Mechanochemical Conditions
N2 - We show that mechanochemically driven polymorphic transformations can require extremely long induction periods, which can be tuned from hours to days by changing ball milling energy. The robust design and interpretation of ball milling experiments must account for this unexpected kinetics that arises from energetic phenomena unique to the solid state. Detailed thermal analysis, combined with DFT simulations, indicates that these marked induction periods are associated with processes of mechanical activation. Correspondingly, we show that the pre‐activation of reagents can also lead to marked changes in the length of induction periods. Our findings demonstrate a new dimension for exerting control over polymorphic transformations in organic crystals. We expect mechanical activation to have a much broader implication across organic solid‐state mechanochemistry.
KW - General Chemistry
KW - Catalysis
KW - Organic Chemistry
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589219
DO - https://doi.org/10.1002/chem.202302150
SN - 0947-6539
SP - e202302150
PB - Wiley
AN - OPUS4-58921
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Visileanu, Emilia
A1 - Catalin Grosu, Marian
A1 - Tiberiu Miclea, Paul
A1 - Altmann, Korinna
A1 - Brossell, Dirk
T1 - Methods for the collection and characterization of airborne particles in the textile industry
N2 - Airborne particulate matter is one of the main air pollutants. Their impact on mortality, and the occurrence of pulmonary and cardiovascular complications, have been the subject of numerous studies. Airborne particles are complex mixtures of organic and inorganic substances from different sources of particle emissions. Particulate Matter (PM) particles are classified according to their aerodynamic diameter expressed in µm and can vary from coarse (PM 10) to fine (less than PM 2.5). These diameter considerations are fundamental because they condition the penetration of particles into the bronchopulmonary system and the body. In recent years, there has been an interest in so-called “ultra-fine” particles, with a diameter of 0.1 µm (or 100 nm), or PM 0.1. They are nanoparticles and their impact on human health is not yet clear.With more than 1.5 million employees, textiles and clothing is a diverse sector that plays an important role in the European manufacturing industry, producing a turnover of €162 billion.An important component of the solid particles that generate air pollution in the textile industry is microplastics (MP) and nano plastics (NP), which also include microfibers (<5mm) and nanofibers (<100 nm), respectively. The particles released into the air during fiber and yarn processing range from 1 µg/m3 to 50 µg/m3.The paper presents the results of the determination of indoor and outdoor air concentration levels in textile companies, to identify the areas with the highest concentration level, by using an online recording system such as the Laser Aerosol Spectrometer MINI LAS model 11-E. The total concentration level TSP (µg/m3), the fractions PM 10(µg/m3), PM 2.5(µg/m3), PM1(µg/m3), as well as the total number of particles TC (1/l), were shown. It was noted that TSP is approximately at the same level both indoors and outdoors, but the fractions of PM10, PM2.5, and PM1 have much higher values indoors than outdoors with possible consequences on workers' health.The next step was the collection of fibers, namely micro and nano plastic particles from the vicinity of the workplaces of polyester, polyamide, and polypropylene fibers processing units in the textile industry in Romania, to obtain a sufficient quantity for laboratory analysis to determine the size and shape of the particles as well as their chemical composition. Two types of pumps were used, differentiated by their operating parameters: TECORA SKYPOST with airflow of 38 l/min and GILAIRPLUS with airflow 2l/min. Filters made of different materials with different diameters and pore sizes were used, namely: quartz filters (ø 47 mm, and ø 37 mm) on a TECORA SKYPOST type pump, polycarbonate nucleopore coated with a gold membrane (ø 25 mm) and silica filter (ø 9 mm) on GILAIRPLUS type pump.Using descriptive statistics, the calculation of correlation coefficients highlighted a strong correlation between the variables: "Collected mass/ Air concentration" and "Collected mass/ Air volume" for all diameters of the filters.The highest collected particle volume, determined by weighing the filters before and after collection, was obtained with the quartz filters (ø 47 mm) at an airflow of 38 l/min. The particles collected (polyester, polyamide, polypropylene) in the first stage were analyzed by SEM and thermogravimetric and it was found that the quartz filters absorbed the particles inside, with very few remaining on the surface. Thus no known methods can be used to perform analysis for particles collected on quartz filters. The number of particles on the filters was insufficient for analysis either because of the collection parameters used or because of the loss of particles during transport. As a result, in the next step, the use of 9 mm Si filters using the GILAIRPLUS pump at an airflow rate of 2l/min was chosen.To improve the transport conditions and avoid the loss of the particles and keep them on the surface of the filters, two methods were applied:- after weighing the filters were reintroduced into the collection pump holder;- a filtration system for airborne micro-nano plastics was designed and manufactured to selectively collect and transport PM10 and PM1 particles collected on SI filters.In both cases, SEM, Raman mapping, and GS-MS microscopy were used for analysis.Several times more PM10 than PM1 (74.5µg compared to 12.5 µg) was found. In all cases, both particles and fibers showed the same Raman fingerprint.The GS-MS analyses showed some contamination of the workspaces with particles other than the processed fibers. The presence of non-notifiable substances was also observed.The most viable filters are Si filters with a pore size of 10 microns to 1 micron and the use of the selected collection and transport filter system. In the following a filter system will be applied for collection on Au membrane-coated polycarbonate filters.
T2 - 5th International Conference on Human Systems Engineering and Design: Future Trends and Applications (IHSED 2023)
KW - Microplastics
KW - Textiles
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624442
DO - https://doi.org/10.54941/ahfe1004132
VL - 112
SP - 212
EP - 223
PB - AHFE International
AN - OPUS4-62444
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tscheuschner, Georg
A1 - Ponader, Marco
A1 - Raab, Christopher
A1 - Weider, Prisca S.
A1 - Hartfiel, Reni
A1 - Kaufmann, Jan Ole
A1 - Völzke, Jule L.
A1 - Bosc-Bierne, Gaby
A1 - Prinz, Carsten
A1 - Schwaar, T.
A1 - Andrle, Paul
A1 - Bäßler, Henriette
A1 - Nguyen, Khoa
A1 - Zhu, Y.
A1 - Mey, A. S. J. S.
A1 - Mostafa, A.
A1 - Bald, I.
A1 - Weller, Michael G.
T1 - Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer
N2 - The cowpea chlorotic mottle virus (CCMV) is a plant virus explored as a nanotechnological platform. The robust self-assembly mechanism of its capsid protein allows for drug encapsulation and targeted delivery. Additionally, the capsid nanoparticle can be used as a programmable platform to display different molecular moieties. In view of future applications, efficient production and purification of plant viruses are key steps. In established protocols, the need for ultracentrifugation is a significant limitation due to cost, difficult scalability, and safety issues. In addition, the purity of the final virus isolate often remains unclear. Here, an advanced protocol for the purification of the CCMV from infected plant tissue was developed, focusing on efficiency, economy, and final purity. The protocol involves precipitation with PEG 8000, followed by affinity extraction using a novel peptide aptamer. The efficiency of the protocol was validated using size exclusion chromatography, MALDI-TOF mass spectrometry, reversed-phase HPLC, and sandwich immunoassay. Furthermore, it was demonstrated that the final eluate of the affinity column is of exceptional purity (98.4%) determined by HPLC and detection at 220 nm. The scale-up of our proposed method seems to be straightforward, which opens the way to the large-scale production of such nanomaterials. This highly improved protocol may facilitate the use and implementation of plant viruses as nanotechnological platforms for in vitro and in vivo applications.
N2 - Das Cowpea Chlorotic Mottle Virus (CCMV) ist ein Pflanzenvirus, das als nanotechnologische Plattform erforscht wird. Der robuste Selbstorganisationsmechanismus seines Kapsidproteins ermöglicht die Verkapselung und gezielte Abgabe von Medikamenten. Darüber hinaus kann das Kapsid-Nanopartikel als programmierbare Plattform für die Präsentation verschiedener molekularer Komponenten verwendet werden. Im Hinblick auf künftige Anwendungen ist eine effiziente Produktion und Reinigung von Pflanzenviren von entscheidender Bedeutung. In etablierten Protokollen stellt die notwendige Ultrazentrifugation aufgrund von Kosten, schwieriger Skalierbarkeit und Sicherheitsaspekten eine erhebliche Einschränkung dar. Darüber hinaus bleibt die Reinheit des endgültigen Virusisolats oft unklar. Hier wurde ein fortschrittliches Protokoll für die Reinigung von CCMV aus infiziertem Pflanzengewebe entwickelt, wobei der Schwerpunkt auf Effizienz, Wirtschaftlichkeit und Reinheit lag. Das Protokoll beinhaltet eine Fällung mit Polyethylenglycol (PEG 8000), gefolgt von einer Affinitätsextraktion mit einem neuartigen Peptid-Aptamer. Die Effizienz des Protokolls wurde mithilfe von Größenausschluss-Chromatographie (SEC), MALDI-TOF-Massenspektrometrie, Umkehrphasen-HPLC und Sandwich-Immunoassay validiert. Darüber hinaus wurde nachgewiesen, dass das endgültige Eluat der Affinitätssäule eine außergewöhnliche Reinheit (98,4 %) aufweist, die durch HPLC und Detektion bei 220 nm bestimmt wurde. Die Skalierung der von uns vorgeschlagenen Methode scheint einfach zu sein, was den Weg für eine größer angelegte Produktion solcher Nanomaterialien ebnet. Dieses stark verbesserte Protokoll könnte die Verwendung und Umsetzung von Pflanzenviren als nanotechnologische Plattformen für In-vitro- und In-vivo-Anwendungen erleichtern.
KW - Affinity chromatography
KW - Nanoparticles
KW - Nanoscience
KW - Carrier protein
KW - Encapsulation
KW - Combinatorial peptide library
KW - Peptide binder
KW - Vigna unguiculata
KW - Augenbohne
KW - Schlangenbohne
KW - Pflanzenvirus
KW - Plant virus
KW - Upscaling
KW - Commercialization
KW - Reference material
KW - Nanocarrier
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-572645
DO - https://doi.org/10.3390/v15030697
VL - 15
IS - 3
SP - 1
EP - 24
PB - MDPI
CY - Basel, Schweiz
AN - OPUS4-57264
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Beslic, D.
A1 - Tscheuschner, Georg
A1 - Renard, B. Y.
A1 - Weller, Michael G.
A1 - Muth, Thilo
T1 - Comprehensive evaluation of peptide de novo sequencing tools for monoclonal antibody assembly
N2 - Monoclonal antibodies are biotechnologically produced proteins with various applications in research, therapeutics and diagnostics. Their ability to recognize and bind to specific molecule structures makes them essential research tools and therapeutic agents. Sequence information of antibodies is helpful for understanding antibody–antigen interactions and ensuring their affinity and specificity. De novo protein sequencing based on mass spectrometry is a valuable method to obtain the amino acid sequence of peptides and proteins without a priori knowledge. In this study, we evaluated six recently developed de novo peptide sequencing algorithms (Novor, pNovo 3, DeepNovo, SMSNet, PointNovo and Casanovo), which were not specifically designed for antibody data. We validated their ability to identify and assemble antibody sequences on three multi-enzymatic data sets. The deep learning-based tools Casanovo and PointNovo showed an increased peptide recall across different enzymes and data sets compared with spectrum-graph-based approaches. We evaluated different error types of de novo peptide sequencing tools and their performance for different numbers of missing cleavage sites, noisy spectra and peptides of various lengths. We achieved a sequence coverage of 97.69–99.53% on the light chains of three different antibody data sets using the de Bruijn assembler ALPS and the predictions from Casanovo. However, low sequence coverage and accuracy on the heavy chains demonstrate that complete de novo protein sequencing remains a challenging issue in proteomics that requires improved de novo error correction, alternative digestion strategies and hybrid approaches such as homology search to achieve high accuracy on long protein sequences.
KW - De novo peptide sequencing
KW - Bioinformatics
KW - Benchmarking study
KW - Monoclonal antibody
KW - Mass spectrometry
KW - Sequence coverage
KW - Light chains
KW - Heavy chains
KW - IgG
KW - Immunoglobulins
KW - Error correction
KW - Sequencing algorithm
KW - Preprocessing
KW - Missing fragmentation sites
KW - Deep learning-based tools
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-570363
DO - https://doi.org/10.1093/bib/bbac542
VL - 24
IS - 1
SP - 1
EP - 12
PB - Oxford University Press
AN - OPUS4-57036
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Fröhlich-Nowoisky, J.
A1 - Bothen, N.
A1 - Backes, A. T.
A1 - Weller, Michael G.
A1 - Pöschl, U.
T1 - Oligomerization and tyrosine nitration enhance the allergenic potential of the birch and grass pollen allergens Bet v 1 and Phl p 5
N2 - Protein modifications such as oligomerization and tyrosine nitration alter the immune response to allergens and may contribute to the increasing prevalence of allergic diseases. In this mini-review, we summarize and discuss relevant findings for the major birch and grass pollen allergens Bet v 1 and Phl p 5 modified with tetranitromethane (laboratory studies), peroxynitrite (physiological processes), and ozone and nitrogen dioxide environmental conditions). We focus on tyrosine nitration and the formation of protein dimers and higher oligomers via dityrosine cross-linking and the immunological effects studied.
N2 - Proteinmodifikationen wie Oligomerisierung und Tyrosinnitrierung verändern die Immunantwort auf Allergene und tragen möglicherweise zur zunehmenden Prävalenz allergischer Erkrankungen bei. In diesem Mini-Review fassen wir relevante Befunde zu den wichtigsten Birken- und Gräserpollenallergenen Bet v 1 und Phl p 5 zusammen, die mit Tetranitromethan (Laborstudien), Peroxynitrit (physiologische Prozesse) und Ozon und Stickstoffdioxid (Umweltbedingungen). Wir konzentrieren uns auf die Tyrosin-Nitrierung und die Bildung von Proteindimeren und höheren Oligomeren durch Dityrosin-Vernetzung und deren immunologischen Auswirkungen.
KW - Allergy
KW - Nitration
KW - Protein oligomers
KW - Air pollution
KW - Ozone
KW - Nitrogen oxides
KW - Tyrosine
KW - Nitrotyrosine
KW - Dityrosine
KW - Dityrosine crosslinking
KW - Protein degradation
KW - Neoepitopes
KW - Neoallergen
KW - IgE
KW - Immunoglobulin E
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-591453
DO - https://doi.org/10.3389/falgy.2023.1303943
VL - 4
SP - 1
EP - 8
PB - Frontiers Media
CY - Switzerland
AN - OPUS4-59145
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Reinmuth-Selzle, K.
A1 - Bellinghausen, I.
A1 - Leifke, A. L.
A1 - Backes, A. T.
A1 - Bothen, N.
A1 - Ziegler, K.
A1 - Weller, Michael G.
A1 - Saloga, J.
A1 - Schuppan, D.
A1 - Lucas, K.
A1 - Pöschl, U.
A1 - Fröhlich-Nowoisky, J.
T1 - Chemical modification by peroxynitrite enhances TLR4 activation of the grass pollen allergen Phl p 5
N2 - The chemical modification of aeroallergens by reactive oxygen and nitrogen species (ROS/RNS) may contribute to the growing prevalence of respiratory allergies in industrialized countries. Post-translational modifications can alter the immunological properties of proteins, but the underlying mechanisms and effects are not well understood. In this study, we investigate the Toll-like receptor 4 (TLR4) activation of the major birch and grass pollen allergens Bet v 1 and Phl p 5, and how the physiological oxidant peroxynitrite (ONOO–) changes the TLR4 activation through protein nitration and the formation of protein dimers and higher oligomers. Of the two allergens, Bet v 1 exhibited no TLR4 activation, but we found TLR4 activation of Phl p 5, which increased after modification with ONOO– and may play a role in the sensitization against this grass pollen allergen. We attribute the TLR4 activation mainly to the two-domain structure of Phl p 5 which may promote TLR4 dimerization and activation. The enhanced TLR4 signaling of the modified allergen indicates that the ONOO–-induced modifications affect relevant protein-receptor interactions. This may lead to increased sensitization to the grass pollen allergen and thus contribute to the increasing prevalence of allergies in the Anthropocene, the present era of globally pervasive anthropogenic influence on the environment.
KW - Bet v 1
KW - Birch pollen allergen
KW - Phl p 5
KW - Grass pollen
KW - Phleum pratense
KW - Betula pendula
KW - Nitration
KW - Nitrotyrosine
KW - Protein nitration
KW - Toll-like receptor 4
KW - Allergy
KW - Enhancement
KW - Oligomerization
KW - Dimerization
KW - TLR4 activation
KW - Air pollution
KW - Nitrogen oxides
KW - Inflammation
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-570298
DO - https://doi.org/10.3389/falgy.2023.1066392
VL - 4
SP - 1
EP - 7
PB - Frontiers Media SA
CY - Lausanne, Switzerland
AN - OPUS4-57029
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tchipilov, Teodor
A1 - Meyer, Klas
A1 - Weller, Michael G.
T1 - Quantitative 1H nuclear magnetic resonance (qNMR) of aromatic amino acids for protein quantification
N2 - Hydrolysis of protein samples into amino acids facilitates the use of NMR spectroscopy for protein and peptide quantification. Different conditions have been tested for quantifying aromatic amino acids and proteins. The pH-dependent signal shifts in the aromatic region of amino acid samples were examined. A pH of 12 was found to minimize signal overlap of the four aromatic amino acids. Several aromatic compounds, such as terephthalic acid, sulfoisophthalic acid, and benzene tricarboxylic acid, were applied as internal standards. The quantification of amino acids from an amino acid standard was performed. Using the first two suggested internal standards, recovery was ~97% for histidine, phenylalanine, and tyrosine at a concentration of approximately 1 mM in solution. Acidic hydrolysis of a certified reference material (CRM) of bovine serum albumin (BSA) and subsequent quantification of Phe and Tyr yielded recoveries of 98% ± 2% and 88% ± 4%, respectively, at a protein concentration of 16 g/L or 250 µM.
KW - Amino acid analysis
KW - Aromatic amino acid analysis
KW - AAA
KW - AAAA
KW - Protein hydrolysis
KW - Hydrochloric acid
KW - Metrology
KW - Traceability
KW - NIST
KW - Reference materials
KW - Internal standard
KW - Calibration
KW - Compound-independent calibration
KW - Histidine
KW - Tyrosine
KW - Tryptophan
KW - Phenylalanine
KW - Terephthalic acid
KW - Benzene-1,3,5-tricarboxylic acid
KW - Bovine serum albumin (BSA)
KW - Quantitative protein analysis
KW - Phenylketonuria
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-570943
DO - https://doi.org/10.3390/mps6010011
VL - 6
IS - 1
SP - 1
EP - 13
PB - MDPI
CY - Basel, Schweiz
AN - OPUS4-57094
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Karafiludis, Stephanos
A1 - Scoppola, E.
A1 - Wolf, S.E.
A1 - Kochovski, Z.
A1 - Matzdorff, D.
A1 - Van Driessche, A. E. S.
A1 - Hövelmann, J.
A1 - Emmerling, Franziska
A1 - Stawski, Tomasz M.
T1 - Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation
N2 - The precipitation of struvite, a magnesium ammonium phosphate hexahydrate (MgNH₄PO₄ · 6H₂O) mineral, from wastewater is a promising method for recovering phosphorous. While this process is commonly used in engineered environments, our understanding of the underlying mechanisms responsible for the formation of struvite crystals remains limited. Specifically, indirect evidence suggests the involvement of an amorphous precursor and the occurrence of multi-step processes in struvite formation, which would indicate non-classical paths of nucleation and crystallization. In this study, we use synchrotron-based in situ x-ray scattering complemented by cryogenic transmission electron microscopy to obtain new insights from the earliest stages of struvite formation. The holistic scattering data captured the structure of an entire assembly in a time-resolved manner. The structural features comprise the aqueous medium, the growing struvite crystals, and any potential heterogeneities or complex entities. By analysing the scattering data, we found that the onset of crystallization causes a perturbation in the structure of the surrounding aqueous medium. This perturbation is characterized by the occurrence and evolution of Ornstein-Zernike fluctuations on a scale of about 1 nm, suggesting a non-classical nature of the system. We interpret this phenomenon as a liquid-liquid phase separation, which gives rise to the formation of the amorphous precursor phase preceding actual crystal growth of struvite. Our microscopy results confirm that the formation of Mg-struvite includes a short-lived amorphous phase, lasting >10 s.
KW - Physical and theoretical chemistry
KW - Non-classical crystallization
KW - Struvite
KW - Liquid-liquid-phase-separation
KW - Nucleation
KW - Crystallization
KW - In-situ scattering
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584766
DO - https://doi.org/10.1063/5.0166278
SN - 1089-7690
VL - 159
IS - 13
SP - 1
EP - 12
PB - AIP Publishing
CY - Woodbury, NY
AN - OPUS4-58476
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Edzards, Joshua
A1 - Saßnick, Holger-Dietrich
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Valencia, Ana M.
A1 - Emmerling, Franziska
A1 - Beyer, Sebastian
A1 - Cocchi, Caterina
T1 - Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks
N2 - Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite widespread interest in these materials, fundamental questions regarding the zinc coordination environment remain poorly understood. By focusing on zinc(II)2-methylimidazolate (ZIF-8) and its tetrahedrally coordinated analogues with Br-, Cl-, and H-substitution in the 2-ring position, we aim to clarify how variations in the local environment of Zn impact the charge distribution and the electronic properties of these materials. Our results from densityfunctional theory confirm the presence of a Zn coordinative bond with a large polarization that is quantitatively affected by different substituents on the organic ligand. Moreover, our findings suggest that the variations in the Zn coordination induced by the functionalization have a negligible effect on the electronic structure of the considered compounds. On the other hand, halogen terminations of the ligands lead to distinct electronic contributions in the vicinity of the frontier region which ultimately reduce the band gap size by a few hundred millielectron volts. Experimental results obtained from X-ray absorption spectroscopy (Zn K-edge) confirm the trends predicted by theory and, together with them, contribute to a better understanding of the structure−property relationships that are needed to tailor ZIFs for target applications.
KW - Surfaces
KW - Physical and Theoretical Chemistry
KW - General Energy
KW - Electronic
KW - Coatings and Films
KW - Optical and Magnetic Materials
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589117
DO - https://doi.org/10.1021/acs.jpcc.3c06054
SN - 1932-7447
VL - 127
IS - 43
SP - 21456
EP - 21464
PB - American Chemical Society (ACS)
AN - OPUS4-58911
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Villajos Collado, José Antonio
A1 - Bienert, M.
A1 - Gugin, Nikita
A1 - Emmerling, Franziska
A1 - Maiwald, Michael
T1 - A database to select affordable MOFs for volumetric hydrogen cryoadsorption considering the cost of their linkers
N2 - Physical adsorption at cryogenic temperature (cryoadsorption) is a reversible mechanism that can reduce the pressure of conventional compressed gas storage systems. Metal–organic framework (MOF) materials are remarkable candidates due to the combination of high specific surface area and density which, in some cases, provide a high volumetric storage capacity. However, such extensive use of MOFs for this application requires the selection of affordable structures, easy to produce and made from feasible metallic and organic components. Herein, we introduce a MOF database detailing the crystallographic and porous properties of 3600 existing MOFs made from industrially relevant metals and their organic composition. The comparison of the available minimum costs of linkers allowed the creation of a database to select affordable structures with high potential for volumetric hydrogen storage by cryoadsorption, considering their composition based on individual or mixed building blocks. A user inter� face, available online, facilitates the selection of MOFs based on the properties or names of structures and linkers.
KW - MOF´s
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-583619
DO - https://doi.org/10.1039/d3ma00315a
VL - 4
IS - 18
SP - 4226
EP - 4237
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-58361
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Scheurrell, Kerstin
A1 - B. Martins, Inês C.
A1 - Murray, Claire
A1 - Emmerling, Franziska
T1 - Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: in situ investigation and isolation of reaction intermediates
N2 - Mechanochemistry has proven to be a highly effective method for the synthesis of organic compounds. We studied the kinetics of the catalyst-free Knoevenagel reaction between 4-nitrobenzaldehyde and malononitrile, activated and driven by ball milling. The reaction was investigated in the absence of solvents (neat grinding) and in the presence of solvents with different polarities (liquid-assisted grinding). The reaction was monitored using time-resolved in situ Raman spectroscopy and powder X-ray diffraction (PXRD). Our results indicate a direct relationship between solvent polarity and reaction kinetics, with higher solvent polarity leading to faster product (2-(4-nitrobenzylidone)malononitrile) formation. For the first time, we were able to isolate and determine the structure of an intermediate 2-(hydroxy(4-nitrophenyl)methyl)malononitrile based on PXRD data.
KW - Physical and Theoretical Chemistry
KW - General Physics and Astronomy
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-588071
DO - https://doi.org/10.1039/D3CP02883F
SN - 1463-9076
VL - 25
IS - 35
SP - 23637
EP - 23644
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-58807
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Peters, Stefan
A1 - Kunkel, Benny
A1 - Cakir, Cafer Tufan
A1 - Kabelitz, Anke
A1 - Witte, Steffen
A1 - Bernstein, Thomas
A1 - Bartling, Stephan
A1 - Radtke, Martin
A1 - Emmerling, Franziska
A1 - Abdel-Mageed, Ali Mohamed
A1 - Wohlrab, Sebastian
A1 - de Oliveira Guilherme Buzanich, Ana
T1 - Time-, space- and energy-resolved in situ characterization of catalysts by X-ray absorption spectroscopy
N2 - A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for in situ characterization of solid materials is demonstrated.
KW - Dispersive XAS
KW - Catalysis
KW - In situ
KW - Structure analysis
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584924
DO - https://doi.org/10.1039/d3cc03277a
SN - 1359-7345
SP - 1
EP - 4
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-58492
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wiesner, Yosri
A1 - Bednarz, Marius
A1 - Braun, Ulrike
A1 - Bannick, Claus Gerhard
A1 - Ricking, Mathias
A1 - Altmann, Korinna
T1 - A promising approach to monitor microplastic masses in composts
N2 - Inputs of plastic impurities into the environment via the application of fertilizers are regulated in Germany and the EU by means of ordinances. Robust and fast analytical methods are the basis of legal regulations. Currently, only macro- and large microplastic contents (>1 mm) are measured. Microplastics (1–1,000 µm), are not yet monitored. Thermal analytical methods are suitable for this purpose, which can determine the mass content and can also be operated fully automatically in routine mode. Thermal extraction desorption-gas chromatography/mass spectrometry (TED-GC/MS) allows the identification of polymers and the determination of mass contents in solid samples from natural environments. In accordance with the German or European Commission (EC) Fertiliser Ordinance, composting plants should be monitored for microplastic particles with this method in the future. In this context a compost plant was sampled. At the end of the rotting process, the compost was sieved and separated in a coarse (>1 mm) and a fine fraction (<1 mm). The fine fraction was processed using density separation comparing NaCl and NaI as possible salt alternative and screened for microplastic masses by TED-GC/MS with additional validation and quality assurance experiments. With TED-GC/MS total microplastics mass contents of 1.1–3.0 μg/mg in finished compost could be detected with polyethylene mainly. What differs much to the total mass of plastics in the coarse fraction with up to 60 μg/mg, which were visually searched, identified via ATR-FTIR and gravimetrically weighted.
KW - Microplastics
KW - TED-GC/MS
KW - Compost
KW - Monitoring
KW - Soil
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-586688
DO - https://doi.org/10.3389/fenvc.2023.1281558
SN - 2673-4486
VL - 4
SP - 1
EP - 12
PB - Frontiers Media
CY - Lausanne
AN - OPUS4-58668
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Abusafia, A.
A1 - Scheid, C.
A1 - Meurer, Maren
A1 - Altmann, Korinna
A1 - Dittmer, U.
A1 - Steinmetz, H.
T1 - Microplastic sampling strategies in urban drainage systems for quantification of urban emissions based on transport pathways
N2 - Tracking waterborne microplastic (MP) in urban areas is a challenging task because of the various sources and transport pathways involved. Since MP occurs in low concentrations in most wastewater and stormwater streams, large sample volumes need to be captured, prepared, and carefully analyzed. The recent research in urban areas focused mainly on MP emissions at wastewater treatment plants (WWTPs), as obvious entry points into receiving waters. However, important transport pathways under wet-weather conditions are yet not been investigated thoroughly. In addition, the lack of comprehensive and comparable sampling strategies complicated the attempts for a deeper understanding of occurrence and sources. The goal of this paper is to (i) introduce and describe sampling strategies for MP at different locations in a municipal catchment area under dry and wet-weather conditions, (ii) quantify MP emissions from the entire catchment and two other smaller ones within the bigger catchment, and (iii) compare the emissions under dry and wet-weather conditions. WWTP has a high removal rate of MP (>96%), with an estimated emission rate of 189 kg/a or 0.94 g/[population equivalents (PEQ · a)], and polyethylene (PE) as the most abundant MP. The specific dry-weather emissions at a subcatchment were ≈30 g/(PEQ · a) higher than in the influent of WWTP with 23 g/(PEQ · a). Specific wet-weather emissions from large sub-catchment with higher traffic and population densities were 1952 g/(ha · a) higher than the emissions from smaller catchment (796 g/[ha · a]) with less population and traffic. The results suggest that wet-weather transport pathways are likely responsible for 2–4 times more MP emissions into receiving waters compared to dry-weather ones due to tire abrasion entered from streets through gullies. However, more investigations of wet-weather MP need to be carried out considering additional catchment attributes and storm event characteristics.
KW - Combined sewer system
KW - Large volume samplers
KW - Microplastic pollution
KW - Separate sewer system
KW - Stormwater retention tank
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-568271
DO - https://doi.org/10.1002/appl.202200056
SP - 1
EP - 12
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-56827
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wiesner, Yosri
A1 - Hoffmann, Thomas
A1 - Range, David
A1 - Altmann, Korinna
T1 - Microplastics in sediments of the river Rhine—A workflow for preparation and analysis of sediment samples from aquatic river systems for monitoring purposes
N2 - AbstractMicroplastics (MP) can be detected in all environmental systems. Marine and terrestrial aquatic systems, especially the transported suspended solids, have often been the focus of scientific investigations in the past. Sediments of aquatic river systems, on the other hand, were often ignored due to the time‐consuming sample preparation and analysis procedures. Spectroscopic measurement methods counting particle numbers are hardly suitable as detection methods, because there are plenty of natural particles next to a small number of MP particles. Integral methods, such as thermoanalytical methods are determining the particle mass independently of the inorganic components.In this study, a workflow for sample preparation via density separation and subsequent analysis by thermal extraction desorption‐gas chromatography/mass spectrometry is presented, which leads to representative and homogeneous samples and allows fast and robust MP mass content measurements suitable for routine analysis. Polymers were identified and quantified in all samples. Polyethylene and styrene‐butadiene rubber are the dominant polymers, besides polypropylene and polystyrene. Overall, total polymer masses between 1.18 and 337.0 µg/g could be determined. Highest MP concentrations in riverbed sediment are found in sites characterized by low flow velocities in harbors and reservoirs, while MP concentrations in sandy/gravelly bed sediments with higher flow velocities are small.
KW - Microplastics
KW - Density separation
KW - TED-GC/MS
KW - NaI
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-597335
DO - https://doi.org/10.1002/appl.202200125
VL - 3
IS - 2
SP - 1
EP - 10
PB - Wiley VHC-Verlag
AN - OPUS4-59733
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bonse, Jörn
A1 - Sokolowski‐Tinten, Klaus
T1 - Probing Laser‐Driven Structure Formation at Extreme Scales in Space and Time
N2 - Irradiation of solid surfaces with high intensity, ultrashort laser pulses triggers a variety of secondary processes that can lead to the formation of transient and permanent structures over a large range of length scales from mm down to the nano‐range. One of the most prominent examples are LIPSS – Laser‐Induced Periodic Surface Structures. While LIPSS have been a scientific evergreen for of almost 60 years, experimental methods that combine ultrafast temporal with the required nm spatial resolution have become available only recently with the advent of short pulse, short wavelength free electron lasers. Here, the current status and future perspectives in this field are discussed by exploiting the unique possibilities of these 4th‐generation light sources to address by time‐domain experimental techniques the fundamental LIPSS‐question, namely why and how laser irradiation can initiate the transition of a “chaotic” (rough) surface from an aperiodic into a periodic structure.
KW - Laser-induced periodic surface structures (LIPSS)
KW - Free electron laser
KW - Pump-probe experiments
KW - Time-resolved scattering
KW - Capillary waves
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595048
DO - https://doi.org/10.1002/lpor.202300912
SN - 1863-8899
VL - 18
SP - 1
EP - 11
PB - Wiley-VCH GmbH
CY - Weinheim
AN - OPUS4-59504
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Keshmiri, Hamid
A1 - Cikes, Domagoj
A1 - Samalova, Marketa
A1 - Schindler, Lukas
A1 - Appel, Lisa-Marie
A1 - Urbanek, Michal
A1 - Yudushkin, Ivan
A1 - Slade, Dea
A1 - Weninger, Wolfgang J.
A1 - Peaucelle, Alexis
A1 - Penninger, Josef
A1 - Elsayad, Kareem
T1 - Brillouin light scattering anisotropy microscopy for imaging the viscoelastic anisotropy in living cells
N2 - Maintaining and modulating mechanical anisotropy is essential for biological processes. However, how this is achieved at the microscopic scale in living soft matter is not always clear. Although Brillouin light scattering (BLS) spectroscopy can probe the mechanical properties of materials, spatiotemporal mapping of mechanical anisotropies in living matter with BLS microscopy has been complicated by the need for sequential measurements with tilted excitation and detection angles. Here we introduce Brillouin light scattering anisotropy microscopy (BLAM) for mapping high-frequency viscoelastic anisotropy inside living cells. BLAM employs a radial virtually imaged phased array that enables the collection of angle-resolved dispersion in a single shot, thus enabling us to probe phonon modes in living matter along different directions simultaneously. We demonstrate a precision of 10 MHz in the determination of the Brillouin frequency shift, at a spatial resolution of 2 µm. Following proof-of-principle experiments on muscle myofibres, we apply BLAM to the study of two fundamental biological processes. In plant cell walls, we observe a switch from anisotropic to isotropic wall properties that may lead to asymmetric growth. In mammalian cell nuclei, we uncover a spatiotemporally oscillating elastic anisotropy correlated to chromatin condensation. Our results highlight the role that high-frequency mechanics can play in the regulation of diverse fundamental processes in biological systems. We expect BLAM to find diverse applications in biomedical imaging and material characterization.
KW - Optical and magnetic materials
KW - Atomic and molecular physics and optics
KW - Electronic
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595125
DO - https://doi.org/10.1038/s41566-023-01368-w
SN - 1749-4885
SN - 1749-4893
VL - 18
IS - 3
SP - 276
EP - 285
PB - Nature Publ. Group
CY - London
AN - OPUS4-59512
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schuberth, Jens
A1 - Ebert, Thomas
A1 - Schlegel, Moritz-Caspar
A1 - Rödig, Lisa
A1 - Jepsen, Dirk
A1 - Memelink, Robin
A1 - Hauschke, Fynn
T1 - The Front-Runner Approach - Facilitating Progressive Product Policy by Using Information from EU Product Databases
N2 - The European Commission has recently announced two guiding principles for EU product policy: First, product policy shall ensure that the performance of front-runner products in terms of sustainability becomes the norm, and second, the effectiveness of the current Ecodesign legislative framework is going to be significantly improved. Within this paper, already existing front-runner approaches and recent and ongoing product policy-making processes were reviewed. Based on the results, an EU front-runner approach is outlined. The presented approach (i) refers to performance levels of the best products already available on the market, (ii) aggregates information in existing databases, and (iii) works semi-automated. Together, all three attributes have a high potential to facilitate and accelerate the specification of appropriate minimum requirements for products at the EU level. This way, EU policymakers can deliver on the core objectives of the Ecodesign legislative framework much better. The basic mechanism and its legal entrenchment of the approach are illustrated for the energy efficiency of energy-related products. In addition, the Front-Runner Approach can be applied to any product group in the scope of the upcoming Ecodesign for Sustainable Products Regulation and to a wide range of product-related minimum requirements, such as durability, reparability, or recycled content. The study’s objective is to suggest a tailor-made and dynamic approach to keep the EU product legislation up to date using innovative technology based on the investigation of current regulations and identify the gap. Experiences from three international case studies suggest that a front-runner approach to setting energy-performance standards can drive innovation and reduce energy consumption via promoting energy-efficient products; transparency about available products is one of the key factors and can be established by a database. The EU front-runner approach comprises extending the existing energy label database (or making use of the digital product passport) and introducing a legislative procedure that triggers changes in the energy efficiency requirements in the specific EU regulations if the database shows that a certain threshold value is reached. Challenges such as limited EU staff capacities and opportunities such as increased dynamic are discussed.
KW - Ecodesign
KW - ESPR
KW - Energy labelling
KW - EPREL
KW - Policy making
KW - Front-runner
KW - Material efficiency
KW - Resource efficiency
KW - Energy efficiency
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595132
DO - https://doi.org/10.3390/en17020504
VL - 17
IS - 2
SP - 1
EP - 11
PB - MDPI
AN - OPUS4-59513
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Slotyuk, Lyubov
A1 - Part, Florian
A1 - Schlegel, Moritz-Caspar
A1 - Akkerman, Floris
T1 - Life Cycle Assessment of the Domestic Micro Heat and Power Generation Proton Exchange Membrane Fuel Cell in Comparison with the Gas Condensing Boiler Plus Electricity from the Grid
N2 - The energy demand of private households contributes globally to 36.5% of the total CO2 emissions. To analyze the emissions reduction potential, we conducted a comparative life cycle assessment of a proton exchange membrane fuel cell in a residential application and a conventional system with a stand-alone gas condensing boiler and electricity from a grid mix. The period under review was referred to as the service life of the PEMFC and is assumed to be 10 years (83,038 h of PEMFC). The applicability of this in a single-family house built between 1991 and 2000 under German climatic conditions was investigated. The functional unit is set to the thermal energy demand of 16,244 kWh/a and electricity demand of 4919 kWh/a of a single-family house. The impact assessment method “CML 2001–August 2016” was used in this investigation. The manufacturing phase of the proton exchange membrane fuel cell showed disadvantages, whereby the use phase had significant advantages in most of the environmental impact categories as compared to the conventional energy supply system. Considering the whole life cycle, the advantages from the use phase could outperform the disadvantages from the manufacturing phase in most of the impact categories, except for ADP elements and TETP.
KW - Sustainability
KW - Circular Economy
KW - Comparative life cycle assessment
KW - Proton exchange membrane fuel cell
KW - Gas condensing boiler
KW - Micro heat and power generation
KW - Residential application
KW - Single-family house energy supply system
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-598134
DO - https://doi.org/10.3390/su16062348
VL - 16
IS - 6
SP - 1
EP - 16
PB - MDPI AG
AN - OPUS4-59813
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Turski Silva Diniz, Analice
A1 - Schartel, Bernhard
T1 - The effects of property variation on the dripping behaviour of polymers during UL94 test simulated by particle finite element method
N2 - The dripping behaviour of polymers is often observed experimentally through the UL94 flammability standard test. In this work, polymeric dripping under fire is investigated numerically using particle finite element method. A parametric analysis was carried out to observe the influence of a single property on overall dripping behaviour via a UL94 vertical test model. Surrogates and property ranges were defined for variation of the following parameters: glass transition temperature (Tg), melting temperature (Tm), decomposition temperature (Td), density (ρ), specific heat capacity (Cp), apparent effective heat of combustion of the volatiles, char yield (μ), thermal conductivity (k), and viscosity (η). Polyamide, poly(ether ether ketone), poly(methyl methacrylate), and polysulfone were used as benchmarks. Simulated results showed that specific heat capacity, thermal conductivity, and char yield allied with viscosity were the properties that most influenced dripping behaviour (starting time and occurrence).
KW - Dripping
KW - PFEM
KW - UL 94
KW - Simulation
KW - Fire behaviour
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-597449
DO - https://doi.org/10.1515/epoly-2023-0194
SN - 1618-7229
VL - 24
IS - 1
PB - De Gruyter
AN - OPUS4-59744
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Temgoua, Ranil C.T.
A1 - Dontsi, Fabiola T.
A1 - Lebègue, Estelle
A1 - Thobie-Gautier, Christine
A1 - Tonlé, Ignas K.
A1 - Boujtita, Mohammed
T1 - Understanding the behavior of phenylurazole-tyrosine-click electrochemical reaction using hybrid electroanalytical techniques
N2 - In this work, the electrochemical behavior of 4-phenylurazole (Ph-Ur) was studied and the latter was used as a molecular anchor for the electrochemical bioconjugation of tyrosine (Y). Cyclic voltammetry (CV) and controlled potential coulometry (CPC) allowed the in-situ generation of the PTAD (4-phenyl-3 H-1,2,4-triazole-3,5(4 H)-dione) species from phenylurazole on demand for tyrosine electrolabeling. The chemoselectivity of the reaction was studied with another amino acid (lysine, Lys) and no changes in Lys were observed. To evaluate the performance of tyrosine electrolabeling, coulometric analyses at controlled potentials were performed on solutions of phenylurazole and the phenylurazole-tyrosine mixture in different proportions (2:1, 1:1, and 1:2). The electrolysis of the phenylurazole-tyrosine mixture in the ratio (1:2) produced a charge of 2.07 C, very close to the theoretical value (1.93 C), with high reaction kinetics, a result obtained here for the first time. The products obtained were identified and characterized by liquid chromatography coupled to high-resolution electrospray ionization mass spectrometry (LC-HRMS and LC- HRMS2). Two products were formed from the click reactions, one of which was the majority. Another part of this work was to study the electrochemical degradation of the molecular anchor 4-phenylazole (Ph-Ur). Four stable degradation products of phenylurazole were identified (C7H9N2O, C6H8N, C6H8NO, C14H13N4O2) based on chromatographic profiles and mass spectrometry results. The charge generated during the electrolysis of phenylurazole (two-electron process) (2.85 C) is inconsistent with the theoretical or calculated charge (1.93 C), indicating that secondary/parasitic reactions occurred during the electrolysis of the latter. In conclusion, the electrochemically promoted click phenylurazole-tyrosine reactions give rise to click products with high reaction kinetics and yields in the (1:2) phenylurazole-tyrosine ratios, and the presence of side reactions is likely to affect the yield of the click phenylurazole-tyrosine reaction.
KW - Clinical Biochemistry
KW - Spectroscopy
KW - Drug Discovery
KW - Pharmaceutical Science
KW - Analytical Chemistry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-599267
DO - https://doi.org/10.1016/j.jpba.2024.116147
VL - 245
SP - 1
EP - 8
PB - Elsevier BV
AN - OPUS4-59926
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Asna Ashari, Parsa
A1 - Blind, Knut
T1 - The effects of hydrogen research and innovation on international hydrogen trade
N2 - Climate change and the pressure to decarbonize, as well as energy security concerns, have drawn the attention of policymakers and the industry to hydrogen energy. To ad-vance the hydrogen economy at a global scale, research and innovation progress is of significant importance, among others. However, previous studies have provided only lim-ited quantitative evidence of the effects of research and innovation on the formation of a global hydrogen market. Instead, they postulate rather than empirically support this rela-tionship. Therefore, this study analyzes the effects of research and innovation measured by scientific publications, patents, and standards on bilateral hydrogen trade flows for 32 countries between 1995 and 2019 in a gravity model of trade, using regression analyses and Poisson Pseudo Maximum Likelihood (PPML) estimation. The main results of the PPML estimation show that research and innovation progress is indeed associated with increased trade, especially with patenting and (international) standardization enhancing hydrogen export volumes. As policy implications, we derive that increased public R&D funding can help increase the competitiveness of hydrogen energy and boost market growth, along with infrastructure support and harmonized standards and regulations.
KW - Hydrogen supply
KW - Global hydrogen market
KW - Research and innovation
KW - Push and pull effects
KW - Hydrogen policies
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594875
DO - https://doi.org/10.1016/j.enpol.2023.113974
SN - 0301-4215
VL - 186
SP - 1
EP - 15
PB - Elsevier B.V.
AN - OPUS4-59487
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Andreoli, A. F.
A1 - Fantin, Andrea
A1 - Kasatikov, S.
A1 - Bacurau, V. P.
A1 - Widom, M.
A1 - Gargarella, P.
A1 - Mazzer, E. M.
A1 - Woodcock, T. G.
A1 - Nielsch, K.
A1 - Coury, F. G.
T1 - The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys
N2 - The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism.
KW - Mechanical Engineering
KW - Mechanics of Materials
KW - General Materials Science
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595869
DO - https://doi.org/10.1016/j.matdes.2024.112724
SN - 0264-1275
VL - 238
SP - 1
EP - 15
PB - Elsevier B.V.
AN - OPUS4-59586
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - von Törne, Wipert Jannik
A1 - Steinhäuser, Lorin
A1 - Klyk-Seitz, Urszula-Anna
A1 - Piechotta, Christian
T1 - High-resolution mass spectrometric elucidation of electron ionization induced fragmentation pathways of methylated warfarin and selected hydroxylated species
N2 - The plant secondary metabolite families of coumarin and 4-hydroxy coumarin have a broad pharmacological spectrum ranging from antibacterial to anticancer properties. One prominent member of this substance class is the synthetic but naturally inspired anticoagulant drug and rodenticide warfarin (coumadin). A vast number of publications focus on the identification of warfarin and its major cytochrome P450-mediated phase I metabolites by liquid chromatography (LC) with mass spectrometry (MS) and tandem mass spectrometric (MS/MS) detection techniques. For the first time, electron ionization (EI) induced high-resolution quadrupole time-of-flight mass spectrometric (HR-qToF-MS) data of in-liner derivatized warfarin and selected hydroxylated species is provided in this study as an alternative to LC-MS/MS approaches. Furthermore, the characteristic fragments and fragmentation pathways of the analyzed methyl ethers are concluded. The obtained data of analytical standards, specific deuterated and 13C-labeled compounds prove inductive cleavage of the acyl or acetonyl side chain, methyl migration, and H-migration, along with consequential inductive cleavage as predominant fragmentation routes. Based on the HR-spectral data, commonalities and differences between the analyzed compounds and fragment groups were evaluated with future applicability in structure elucidation and spectra prediction of related compounds.
KW - High-resolution mass spectrometry
KW - Warfarin
KW - Hydroxy warfarin
KW - Fragmentation pathway
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-596025
DO - https://doi.org/10.1016/j.ijms.2024.117220
SN - 1387-3806
VL - 499
SP - 1
EP - 7
PB - Elsevier B.V.
AN - OPUS4-59602
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - von Törne, Wipert Jannik
A1 - Klyk-Seitz, Urszula-Anna
A1 - Piechotta, Christian
T1 - Developing a GC-EI-MS/MS method for quantifying warfarin and five hydroxylated metabolites generated by the Fenton reaction
N2 - AbstractSince the 1950s, Warfarin has been used globally as both a prescription drug and a rodenticide. Research has shown that warfarin and other rodenticides are present in the environment and food chain. However, emerging contaminants are subject to degradation by biotic and abiotic processes and advanced oxidation processes. In some cases, detecting the parent compound may not be possible due to the formation of structurally changed species. This approach aims to identify hydroxylated transformation products of warfarin in a laboratory setting, even after the parent compound has undergone degradation. Therefore, the Fenton reaction is utilized to insert hydroxylation into the parent compound, warfarin, by hydroxyl and hydroperoxyl radicals generated by Fe2+/Fe3+ redox reaction with hydrogen peroxide. Using multiple reaction monitoring, a GC–MS/MS method, incorporating isotopically labeled reference compounds, is used to quantify the expected derivatized species. The analytes are derivatized using trimethyl-3-trifluoromethyl phenyl ammonium hydroxide, and the derivatization yield of warfarin is determined by using isotopically labeled reference compounds. The method has a linear working range of 30 to 1800 ng/mL, with detection limits ranging from 18.7 to 67.0 ng/mL. The analytes are enriched using a C18-SPE step, and the recovery for each compound is calculated. The Fenton reaction generates all preselected hydroxylated transformation products of warfarin. The method successfully identifies that 4′-Me-O-WAR forms preferentially under the specified experimental conditions. By further optimizing the SPE clean-up procedures, this GC–MS-based method will be suitable for detecting transformation products in more complex matrices, such as environmental water samples. Overall, this study provides a better understanding of warfarin’s degradation and offers a robust analytical tool for investigating its transformation products.
KW - Health, Toxicology and Mutagenesis
KW - Pollution
KW - Environmental Chemistry
KW - General Medicine
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595737
DO - https://doi.org/10.1007/s11356-024-32133-3
SN - 0944-1344
VL - 31
SP - 16986
EP - 16994
PB - Springer Science and Business Media LLC
AN - OPUS4-59573
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lu, Xin
A1 - Hicke, Konstantin
A1 - Krebber, Katerina
T1 - Distributed acoustic sensing to monitor ground motion/movement at multi-frequency bands
N2 - A novel distributed acoustic sensing technique is proposed that exploits both phase and amplitude of the Rayleigh backscattered light to quantify the environmental variation. The system employs a wavelength-scanning laser and an imbalanced Mach-Zehnder interferometer to acquire the reflection spectra and the phase of the detected light, respectively. Fading-free and low-frequency measurements are realized via the crosscorrelation of the reflection spectra. The discrete crosscorrelation is used to circumvent the nonlinear frequency sweeping of the laser. Based on the phase of the backscattered light, it is possible to quantify fast environmental variations. The whole system requires no hardware modification of the existing system and its functionality is experimentally validated. The proposed system has the potential to monitor ground motion/movement at very low frequency band like subsidence around mining areas and at high frequency band like earthquakes and vibrations induced by avalanches.
KW - Distributed acoustic sensing
KW - DAS
KW - Distributed fiber optic sensing
KW - Ground motion detection
KW - Subsidence monitoring
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-596129
DO - https://doi.org/10.1109/JLT.2024.3358495
VL - 42
IS - 18
SP - 1
EP - 8
PB - Optical Society und IEEE Photonics Society
AN - OPUS4-59612
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kornev, Roman
A1 - Gornushkin, Igor B.
A1 - Shabarova, Lubov
A1 - Kadomtseva, Alena
A1 - Mochalov, Georgy
A1 - Rekunov, Nikita
A1 - Romanov, Sergey
A1 - Medov, Vitaly
A1 - Belousova, Darya
A1 - Maleev, Nikita
T1 - Plasma-Chemical Disposal of Silicon and Germanium Tetrachlorides Waste by Hydrogen Reduction
N2 - The processes of hydrogen reduction of silicon and germanium chlorides under the conditions of high-frequency (40.68 MHz) counteracted arc discharge stabilized between two rod electrodes are investigated. The main gas-phase and solid products of plasma-chemical transformations are determined. Thermodynamic analysis of SiCl4 + H2 and GeCl4 + H2 systems for optimal process parameters was carried out. Using the example of hydrogen reduction of SiCl4 by the method of numerical modeling, gas-dynamic and thermal processes for this type of discharge are investigated. The impurity composition of gas-phase and solid reaction products is investigated. The possibility of single-stage production of high-purity Si and Ge mainly in the form of compact ingots, as well as high-purity chlorosilanes and trichlorogermane, is shown.
KW - High-frequency arc discharge
KW - Hydrogen reduction
KW - Silicon chlorides
KW - Germanium chlorides
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594454
DO - https://doi.org/10.3390/sci6010001
VL - 6
IS - 1
SP - 1
EP - 12
PB - MDPI AG
AN - OPUS4-59445
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hupp, Vitus
A1 - Schartel, Bernhard
A1 - Flothmeier, K.
A1 - Hartwig, A.
T1 - Fire Behavior of Pressure-sensitive Adhesive Tapes and Bonded Materials
N2 - Pressure-sensitive adhesive tapes are used in several industrial applications such as con-struction, railway vehicles and the automotive sector,where the burning behavior is ofcrucial importance. Flame retarded adhesivetapes are developed and provided, however,often without considering the interaction of adhesive tapes and the bonded materialsduring burning nor the contribution of the tapes to fire protection goal of the bondedcomponents in distinct fire tests. This publication delivers an empirical comprehensiveknowledge how adhesive tapes and their flame retardancy effect the burning behaviorof bonded materials. With a special focus on the interaction between the single compo-nents, one flame retarded tape and one tapewithout flame retardant are examined inscenarios of emerging and developing fires, along with their bonds with the commonmaterials wood, zinc-plated steel, mineral wool, polycarbonate, and polymethylmethacry-late. The flame retardant significantly improved the flame retardancy of the tape as afree-standing object and yielded a V-2 rating in UL 94 vertical test and raised the OxygenIndex by 5 vol.%. In bonds, or rather laminates, the investigations prove that the choiceof carrier and substrates are the factors with the greatest impact on the fire propertiesand can change the peak of heat release rate and the maximum average rate of heatemission up to 25%. This research yielded a good empirical overall understanding of thefire behavior of adhesive tapes and bonded materials. Thus, it serves as a guide for tapemanufacturers and applicants to develop tapes and bonds more substrate specific.
KW - Adhesives
KW - Cone calorimeter
KW - Flame retardancy
KW - Laminates
KW - Phosphorus flame retardants
KW - Pressure-sensitive adhesive
KW - Tapes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593207
DO - https://doi.org/10.1002/fam.3171
SN - 0308-0501
SN - 1099-1018
VL - 48
IS - 1
SP - 114
EP - 127
PB - Wiley
CY - New York, NY
AN - OPUS4-59320
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bayerlein, Bernd
A1 - Schilling, Markus
A1 - Birkholz, Henk
A1 - Jung, Matthias
A1 - Waitelonis, Jörg
A1 - Mädler, Lutz
A1 - Sack, Harald
T1 - PMD Core Ontology: Achieving semantic interoperability in materials science
N2 - Knowledge representation in the Materials Science and Engineering (MSE) domain is a vast and multi-faceted challenge: Overlap, ambiguity, and inconsistency in terminology are common. Invariant (consistent) and variant (context-specific) knowledge are difficult to align cross-domain. Generic top-level semantic terminology often is too abstract, while MSE domain terminology often is too specific. In this paper, an approach how to maintain a comprehensive MSE-centric terminology composing a mid-level ontology–the Platform MaterialDigital Core Ontology (PMDco)–via MSE community-based curation procedures is presented. The illustrated findings show how the PMDco bridges semantic gaps between high-level, MSE-specific, and other science domain semantics. Additionally, it demonstrates how the PMDco lowers development and integration thresholds. Moreover, the research highlights how to fuel it with real-world data sources ranging from manually conducted experiments and simulations with continuously automated industrial applications.
KW - Ontology
KW - Materials science and engineering
KW - Knowledge representation
KW - Reproducibility
KW - Semantic interoperability
KW - Semantic data integration
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592948
DO - https://doi.org/10.1016/j.matdes.2023.112603
SN - 0264-1275
VL - 237
SP - 1
EP - 12
PB - Elsevier
CY - Amsterdam
AN - OPUS4-59294
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Flierl, Lukas
A1 - Rienitz, Olaf
A1 - Vogl, Jochen
A1 - Pramann, Axel
T1 - An advancement of the gravimetric isotope mixture method rendering the knowledge of the spike purity superfluous
N2 - The gravimetric isotope mixture method is the primary method to determine absolute isotope ratios. This method, however, depends on the existence of suitable spike materials and knowledge of their purities. Determining the purity of the spikes can be tedious and labour-intensive. In this publication, an advancement of the gravimetric isotope mixture method, rendering the determination of the purity of the spike materials unnecessary, is presented. The advancement combines mass spectrometry and ion chromatography leading to an approach being independent of the purity of the spike materials. In the manuscript the mathematical background and the basic idea of the novel approach are described using a two-isotope system like copper or lithium.
KW - Isotope amount ratios
KW - Metrology
KW - Mass spectrometry
KW - Ion chromatography
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608726
DO - https://doi.org/10.1007/s00216-024-05465-9
SP - 5325
EP - 5333
PB - Springer Science and Business Media LLC
AN - OPUS4-60872
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stolar, Tomislav
A1 - Pearce, Ben K.D.
A1 - Etter, Martin
A1 - Truong, Khai-Nghi
A1 - Ostojić, Tea
A1 - Krajnc, Andraž
A1 - Mali, Gregor
A1 - Rossi, Barbara
A1 - Molčanov, Krešimir
A1 - Lončarić, Ivor
A1 - Meštrović, Ernest
A1 - Užarević, Krunoslav
A1 - Grisanti, Luca
T1 - Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity
N2 - We show that the non-canonical nucleobase 2,6-diaminopurine (D) spontaneously base pairs with uracil (U) in water and the solid state without the need to be attached to the ribose-phosphate backbone. Depending on the reaction conditions, D and U assemble in thermodynamically stable hydrated and anhydrated D-U base-paired cocrystals. Under UV irradiation, an aqueous solution of D-U base-pair undergoes photochemical degradation, while a pure aqueous solution of U does not. Our simulations suggest that D may trigger the U photodimerization and show that complementary base-pairing modifies the photochemical properties of nucleobases, which might have implications for prebiotic chemistry.
KW - Mechanochemistry
KW - In situ monitoring
KW - Cocrystals
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608622
DO - https://doi.org/10.1016/j.isci.2024.109894
VL - 27
IS - 6
SP - 1
EP - 14
PB - Elsevier Inc.
AN - OPUS4-60862
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Davison, Nathan
A1 - Hemingway, Jack M.
A1 - Wills, Corinne
A1 - Stolar, Tomislav
A1 - Waddell, Paul G.
A1 - Dixon, Casey M.
A1 - Barron, Luke
A1 - Dawson, James A.
A1 - Lu, Erli
T1 - Mechanochemical Synthesis of a Sodium Anion Complex [Na+(2,2,2-cryptand)Na–] and Studies of Its Reactivity: Two-Electron and One-Electron Reductions
N2 - Group 1 metal molecular chemistry is dominated by a +1 oxidation state, while a 0 oxidation state is widespread in the metals. A more exotic, yet still available, oxidation state of group 1 metal is −1, i.e., alkalide. Reported as early as the 1970s, the alkalides appear in every modern inorganic chemistry textbook as an iconic chemical curiosity, yet their reactivity remains unexplored. This is due to their synthetic hurdles. In this work, we report the first facile synthesis of the archetypical alkalide complex, [Na+(2,2,2-cryptand)Na–], which allows us to unveil a versatile reactivity profile of this once exotic species.
KW - Mechanochemistry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608632
DO - https://doi.org/10.1021/acs.inorgchem.4c02914
VL - 63
IS - 32
SP - 15247
EP - 15258
PB - American Chemical Society (ACS)
AN - OPUS4-60863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Giv, Ali Nemati
A1 - Asante, Bright
A1 - Yan, Libo
A1 - Kasal, Bohumil
T1 - Shear performance and durability of adhesively bonded spruce wood-concrete composite joints: Effects of indoor and outdoor environmental conditions, mechanical load, and their coupled effect
N2 - A long-term study was conducted on double-lap spruce wood-concrete joints to investigate their shear strength and stiffness over a 12-month period. These joints were manufactured using both wet and dry processes, each incorporating two adhesive types for bonding the wood to the concrete: a brittle epoxy and a ductile polyurethane (PUR). The experimental design exposed the joints to three specific long-term environments: (1) outdoor exposure, (2) indoor conditions with applied load, and (3) outdoor conditions with applied load. The wood concrete joints exposed to outdoor conditions were subjected to destructive shear testing at intervals of 0 (serving as the reference sample), 2, 4, 6, and 12 months, respectively. For joints subjected to both indoor and outdoor conditions with shear loading, the shear deformation of joints was monitored continuously over the 12 months before performing the destructive tests. A gradual reduction in the shear stiffness and strength of dry joints (produced using the dry bond method) exposed to outdoor conditions was observed over a 12-month period, primarily due to bond failure at the concrete-adhesive interface. The wet joints exhibited no degradation in shear stiffness and strength across long-term conditions over the same period. The bond failure observed in dry joints was predominantly associated with stresses arising from dimensional changes in the wood. No degradation was found in the cross-linking density of the adhesive or in the concrete’s compressive stiffness and strength.
KW - Adhesively bonded joints
KW - Long-term study
KW - Ductile PUR
KW - Brittle epoxy
KW - Outdoor condition
KW - Mechanical load
KW - Indoor condition
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608878
DO - https://doi.org/10.1016/j.conbuildmat.2024.136905
VL - 436
SP - 1
EP - 22
PB - Elsevier BV
AN - OPUS4-60887
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wegner, Karl David
A1 - Hildebrandt, N.
T1 - Near infrared quantum dots for biosensing and bioimaging
N2 - Quantum dots (QDs) possess unique optoelectronic properties, which make them very attractive to be used as optical probes in biosensing and bioimaging applications. The strong absorbance and light scattering of biological compounds like tissue and blood in the visible range pose a problem. However, if optical probes emitting in the near-infrared (NIR) range are used, scattering, absorption, and autofluorescence of biological components are strongly reduced. This allows for an increased light penetration depth and higher spatial and temporal resolution for the investigation of biological processes. The synthesis and application of NIR emitting QDs is a fast-growing research field and the benefits of using QDs were demonstrated for a variety of applications, such as photoelectrochemical biosensor, in vivo vascular imaging, and fluorescence-guided surgery. This article reviews the state-of-the-art developments in the preparation of NIR/IR QDs and highlights the latest research about their utilization in biosensing and bioimaging applications.
KW - Quantum dots
KW - Near-infrared
KW - Biosensing
KW - Bioimaging
KW - NIR-II / SWIR
KW - Advanced nanomaterials
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-609708
SN - 0165-9936
DO - https://doi.org/10.1016/j.trac.2024.117922
VL - 180
SP - 1
EP - 19
PB - Elsevier B.V.
AN - OPUS4-60970
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Schmitt, M.
A1 - Casperson, Ralf
A1 - Baensch, F.
A1 - Müller, D.
T1 - Nationale, europäische und internationale Normung in der zerstörungsfreien Prüfung
N2 - Normung und Standardisierung in der zerstörungsfreien Prüfung finden auf nationaler, europäischer und internationaler Ebene statt. Die Übernahme von Leitungsfunktionen in diesen Gremien erzeugt die Möglichkeit der Steuerung von Themen und Inhalten der relevanten Normen. Das persönliche Engagement der Fachexpert*innen in den nationalen Gremien und den europäischen und internationalen Arbeitsgruppen ist ein zusätzlicher Faktor für die inhaltliche Korrektheit und die inhaltliche Ausrichtung der Norm. Denn wer nicht normt, wird genormt und muss letztlich Normen anwenden, die andere entsprechend ihrer eigenen Interessen gestaltet haben. Voraussetzung für die Teilnahme in europäischen und internationalen Normungsgremien ist die Mitwirkung in den entsprechenden DINSpiegelgremien, welche die europäischen (CEN) und internationalen (ISO) Aktivitäten spiegeln und die Fachexpert*innen für die Mitarbeit autorisieren.
Auf internationaler Ebene findet die Normungsarbeit in den technischen Komitees ISO/TC 135 “Non-destructive testing” und ISO/TC 44/SC 5 “Testing and inspection of welds” und ihren Arbeitsgruppen statt. Das europäische Pendant ist das CEN/TC 138 “Zerstörungsfreie Prüfverfahren” mit seinen Arbeitsgremien. Die DINSpiegelgremien sind für die deutsche Mitarbeit in diesen Gremien und die inhaltliche Bewertung der Norm-Entwürfe zuständig.
T2 - DGZfP Jahrestagung 2024
CY - Osnabrück, Germany
DA - 05.05.2024
KW - Normung
KW - Zerstörungsfreie Prüfung
KW - Qualifizierung
KW - Qualitätssicherung
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600726
DO - https://doi.org/10.58286/29496
IS - 5
SP - 1
EP - 6
AN - OPUS4-60072
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sunder, S.
A1 - Jauregui Rozo, Maria
A1 - Inasu, S.
A1 - Schartel, Bernhard
A1 - Ruckdäschel, H.
T1 - A systematic investigation of the transfer of polyphosphate/inorganic silicate flame retardants from epoxy resins to layered glass fiber-reinforced composites and their post-furnace flexural properties
N2 - The systematic transfer of solvent-free, additive flame retardant (FR) formulations from epoxy resins to glass fiber-reinforced epoxy composites (GFRECs) through prepregs is difficult. Additionally, obtaining data on their post-fire mechanics is often challenging. Utilizing melamine polyphosphate (MPP), ammonium polyphosphate (APP), and silane-coated ammonium polyphosphate (SiAPP) FRs with low-melting inorganic silicates (InSi) in an 8:2 proportion and 10% loading by weight in a diglycidyl ether of bisphenol A (DGEBA) resin, a systematic investigation of the processing properties, room-temperature mechanics, and temperature-based mechanics of the systems was performed. The resin was cured with a dicyandiamide hardener (DICY) and a urone accelerator. The results revealed no substantial impact of these FRs at the current loading on the resin's glass transition temperature or processability. However, the fire residues from cone calorimetry tests of the composites containing FRs were found to be only 15-20% of the thickness of the resins, implying a suppression of intumescence upon transfer. At room temperature, the decrease in the flexural modulus for the composites containing FRs was negligible. Exposure of the composites in a furnace at 400°C as a preliminary study before ignition tests was shown to cause significant flexural moduli reductions after 2.5 min of exposure and complete delamination after 3 min making further testing unviable. This study emphasizes the need for future research on recovering modes of action upon transfer of FR formulations from resins to composites. Based on the challenges outlined in this investigation, sample adaptation methods for post-fire analysis will be developed in a future study.
KW - DGEBA
KW - Prepregs
KW - Glass fiber-reinforced composites
KW - Post-fire testing
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605239
DO - https://doi.org/10.1002/pc.28416
SN - 1548-0569
SN - 0272-8397
VL - 45
IS - 10
SP - 9389
EP - 9406
PB - Wiley
AN - OPUS4-60523
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Simon, Franz-Georg
A1 - Scholz, Philipp
T1 - Sequential Extraction of Incineration Bottom Ash: Conclusions Regarding Ecotoxicity
N2 - The classification of incineration bottom ash (IBA) as hazardous or non-hazardous according to ecotoxic hazard property HP14 is still under debate. In this context, only the compounds of Zn and Cu with the hazard statement code H410 are of relevance. With an approach based on the grouping of substances, it was shown that such substances are either readily water-soluble or slightly and sparingly soluble. The concentrations of readily soluble Cu and Zn compounds in IBA are far below the cut-off value of 0.1%. Slightly and sparingly soluble Zn and Cu compounds could be quantified in the first fraction of a four-step sequential extraction procedure. With the results from the complete sequence, the dimensionless synthesis toxicity index (STI) was calculated and was in the range of 494 to 1218 for the four investigated IBA samples. It was concluded that IBA can usually be classified as non-hazardous.
KW - Incineration bottom ash
KW - Hazard properties
KW - Ecotoxicity
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605262
DO - https://doi.org/10.3390/app14135541
SN - 2076-3417
VL - 14
IS - 13
SP - 1
EP - 12
PB - MDPI
CY - Basel
AN - OPUS4-60526
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rockel, Daniel
A1 - Sanchez Olivares, G.
A1 - Schartel, Bernhard
T1 - Improving the Flame Retardancy of Aluminium Trihydroxide in Thermoplastic Starch Biocomposites Using Waste Fibers and Silicon-Based Synergists
N2 - The synergistic behavior of different silicon compounds is investigated in flame retardant biocomposites with aluminum trihydroxide (ATH) as the main flame retardant. The paper shows a new approach towards sustainable biocomposites through the implementation of thermoplastic starch (TPS), leather fibers from industrial waste streams, and non-hazardous flame retardants and synergists. In these multicomponent systems, the different components address different modes of action in the fire scenario. When ATH is partially substituted by glass frits or layered silicates, fire performance is enhanced without changing the total amount of filler in the polymer. In a biocomposite with 25 phr of fiber and 90 phr of ATH, substituting 5 phr of ATH for layered silicates increased the LOI from 31.5 vol % to 34.8 vol %, decreased the peak of heat release by 20%, and increased the UL 94 rating from V-1 to V-0.
KW - Biocomposites
KW - Sustainability
KW - Waste streams
KW - Flame retardancy
KW - Synergism
KW - Modes of action
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605711
DO - https://doi.org/10.1021/acssusresmgt.4c00053
SN - 2837-1445
VL - 1
IS - 6
SP - 1131
EP - 1145
PB - ACS
AN - OPUS4-60571
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Scales, B. S.
A1 - Hasenrück, C.
A1 - Moldaenke, L.
A1 - Hassa, J.
A1 - Rückert-Reed, C.
A1 - Rummel, C.
A1 - Völkner, C.
A1 - Rynek, R.
A1 - Busche, T.
A1 - Kalinowski, J.
A1 - Jahnke, A.
A1 - Schmitt-Jansen, M.
A1 - Wendt-Potthoff, K.
A1 - Oberbeckmann, Sonja
T1 - Hunting for pigments in bacterial settlers of the Great Pacific Garbage Patch
N2 - The Great Pacific Garbage Patch, a significant collection of plastic introduced by human activities, provides an ideal environment to study bacterial lifestyles on plastic substrates. We proposed that bacteria colonizing the floating plastic debris would develop strategies to deal with the ultravioletexposed substrate, such as the production of antioxidant pigments. We observed a variety of pigmentation in 67 strains that were directly cultivated from plastic pieces sampled from the Garbage Patch. The genomic analysis of four representative strains, each distinct in taxonomy, revealed multiple pathways for carotenoid production. These pathways include those that produce
less common carotenoids and a cluster of photosynthetic genes. This
cluster appears to originate from a potentially new species of the Rhodobacteraceae family. This represents the first report of an aerobic anoxygenic photoheterotrophic bacterium from plastic biofilms. Spectral analysis showed that the bacteria actively produce carotenoids, such as betacarotene and beta-cryptoxanthin, and bacteriochlorophyll a. Furthermore, we discovered that the genetic ability to synthesize carotenoids is more common in plastic biofilms than in the surrounding water communities. Our findings suggest that plastic biofilms could be an overlooked source of bacteria-produced carotenoids, including rare forms. It also suggests that photoreactive molecules might play a crucial role in bacterial biofilm communities in surface water.
KW - Microplastics
KW - Biofilm
KW - Pigment
KW - Microorganisms
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605725
DO - https://doi.org/10.1111/1462-2920.16639
SN - 1462-2912
VL - 26
IS - 6
SP - e16639
PB - John Wiley & Sons Ltd.
AN - OPUS4-60572
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bacurau, V. P.
A1 - Moreira, P. A. F. P.
A1 - Bertoli, G.
A1 - Andreoli, A. F.
A1 - Mazzer, E.
A1 - de Assis, F. F.
A1 - Gargarella, P.
A1 - Koga, G.
A1 - Stumpf, G. C.
A1 - Figueroa, S. J. A.
A1 - Widom, M.
A1 - Kaufman, M.
A1 - Fantin, Andrea
A1 - Cao, Y.
A1 - Freitas, R.
A1 - Miracle, D.
A1 - Coury, F. G.
T1 - Comprehensive analysis of ordering in CoCrNi and CrNi2 alloys
N2 - Chemical Short-Range Order (CSRO) has attracted recent attention from many researchers, creating intense debates about its impact on material properties.
The challenges lie in confirming and quantifying CSRO, as its detection proves exceptionally demanding, contributing to conflicting data in the literature regarding its true effects on mechanical properties. Our work uses highprecision calorimetric data to unambiguously prove the existence and, coupled with atomistic simulations, quantify the type of CSRO. This methodology allows us to propose a mechanism for its formation and destruction based on the heat evolution during thermal analysis and facilitates a precise identification of local ordering in CoCrNi alloys. Samples of CoCrNi (Co33Cr33Ni33) and CrNi2 (Cr33Ni66) alloys are fabricated in varying ordered states, extensively characterized via synchrotron X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy. Samples with considerably different ordered states are submitted to tensile tests with in-situ synchrotron X-ray diffraction. We demonstrate, despite inducing varied CSRO levels in CoCrNi, no significant alterations in overall mechanical behavior emerge.
However, the CrNi2 alloy, which undergoes long-range ordering, experiences significant shifts in yield strength, ultimate tensile stress and ductility.
KW - Mechanical properties
KW - Short-range ordering
KW - Calorimetry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611075
DO - https://doi.org/10.1038/s41467-024-52018-w
VL - 15
IS - 1
SP - 1
EP - 11
PB - Springer Science and Business Media LLC
AN - OPUS4-61107
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chronakis, Michail Ioannis
A1 - Meermann, Björn
A1 - von der Au, Marcus
T1 - The evolution of data treatment tools in single-particle and single-cell ICP-MS analytics
N2 - Single-particle inductively coupled plasma-mass spectrometry (sp-ICP-MS) is one of the most powerful tools in the thriving field of nanomaterial analysis. Along the same lines, single-cell ICP-MS (sc-ICP-MS) has become an invaluable tool in the study of the variances of cell populations down to a per-cell basis. Their importance and application fields have been listed numerous times, across various reports and reviews. However, not enough attention has been paid to the immense and ongoing development of the tools that are currently available to the analytical community for the acquisition, and more importantly, the treatment of single-particle and single-cell-related data. Due to the ever-increasing demands of modern research, the efficient and dependable treatment of the data has become more important than ever. In addition, the field of single-particle and single-cell analysis suffers due to a large number of approaches for the generated data—with varying levels of specificity and applicability. As a result, finding the appropriate tool or approach, or even comparing results, can be challenging. This article will attempt to bridge these gaps, by covering the evolution and current state of the tools at the disposal of sp-ICP-MS users.
Graphical Abstract
KW - Trend Article
KW - spICP-MS
KW - Data Tools
KW - scICP-MS
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-610539
DO - https://doi.org/10.1007/s00216-024-05513-4
SP - 1
EP - 7
PB - Springer Science and Business Media LLC
AN - OPUS4-61053
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sunder, S.
A1 - Jauregui Rozo, Maria
A1 - Inasu, S.
A1 - Schartel, Bernhard
A1 - Ruckdäschel, H.
T1 - Investigating the changing dynamics of processing, temperature-based mechanics, and flame retardancy in the transfer of ammonium polyphosphate/inorganic silicate flame retardants from epoxy resins to glass fiber composites
N2 - Although numerous investigations study the improvement of flame retardancy of epoxy resins using additives, maintaining the flame retardant (FRs) modes of action present in the resins upon transfer to composites is challenging. In this study, ammonium polyphosphate (APP) and inorganic silicate (InSi) are loaded at 10%, 30%, and 50% by weight, in a diglycidyl ether of bisphenol A (DGEBA) resin cured with dicyandiamide and transferred to bidirectional (BD) glass fiber (GF) composites. Although a 50% loading of the FRs impacts the curing kinetics of the resin system, the effect on the glass transition temperature of the resin system remains negligible compared to reactive FRs in the state of the art integrated into the resin's chemical structure. Increasing the FR content improved the heat release characteristics in both the resins and composites. However, the charring mode of action is completely suppressed in the formulation with 10% APP + InSi. A 30% concentration of the FRs restored the charring action in the composite and the GFs provide increased protective layer action upon transfer to the composites. This study highlights the importance of accounting for the changing dynamics related to processing and flame retardancy upon transferring FRs from resins to composites.
KW - Composites
KW - Flame retardance
KW - Resins
KW - Synthesis and processing techniques
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-610484
DO - https://doi.org/10.1002/app.55988
SN - 1097-4628
VL - 141
IS - 39
SP - 1
EP - 18
PB - Wiley
CY - New York, NY
AN - OPUS4-61048
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Golian, M. J.
A1 - Friedman, D. A.
A1 - Harrison, M.
A1 - McMahon, Dino Peter
A1 - Buellesbach, J.
T1 - Chemical and transcriptomic diversity do not correlate with ascending levels of social complexity in the insect order Blattodea
N2 - AbstractEusocial insects, such as ants and termites, are characterized by high levels of coordinated social organization. This is contrasted by solitary insects that display more limited forms of collective behavior. It has been hypothesized that this gradient in sociobehavioral sophistication is positively correlated with chemical profile complexity, due to a potentially increased demand for diversity in chemical communication mechanisms in insects with higher levels of social complexity. However, this claim has rarely been assessed empirically. Here, we compare different levels of chemical and transcriptomic complexity in selected species of the order Blattodea that represent different levels of social organization, from solitary to eusocial. We primarily focus on cuticular hydrocarbon (CHC) complexity, since it has repeatedly been demonstrated that CHCs are key signaling molecules conveying a wide variety of chemical information in solitary as well as eusocial insects. We assessed CHC complexity and divergence between our studied taxa of different social complexity levels as well as the differentiation of their respective repertoires of CHC biosynthesis gene transcripts. Surprisingly, we did not find any consistent pattern of chemical complexity correlating with social complexity, nor did the overall chemical divergence or transcriptomic repertoire of CHC biosynthesis genes reflect on the levels of social organization. Our results challenge the assumption that increasing social complexity is generally reflected in more complex chemical profiles and point toward the need for a more cautious and differentiated view on correlating complexity on a chemical, genetic, and social level.
KW - Chemical ecology
KW - Ecological genetics
KW - Entomology
KW - Evolutionary ecology
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608260
DO - https://doi.org/10.1002/ece3.70063
SN - 2045-7758
VL - 14
IS - 8
SP - 1
EP - 13
PB - Wiley
AN - OPUS4-60826
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hellemans, S.
A1 - Rocha, M. M.
A1 - Wang, M.
A1 - Romero Arias, J.
A1 - Aanen, D. K.
A1 - Bagnères, A.-G.
A1 - Buček, A.
A1 - Carrijo, T. F.
A1 - Chouvenc, T.
A1 - Cuezzo, C.
A1 - Constantini, J. P.
A1 - Constantino, R.
A1 - Dedeine, F.
A1 - Deligne, J.
A1 - Eggleton, P.
A1 - Evans, T. A.
A1 - Hanus, R.
A1 - Harrison, Mark C.
A1 - Harry, M.
A1 - Josens, G.
A1 - Jouault, C.
A1 - Kalleshwaraswamy, C. M.
A1 - Kaymak, E.
A1 - Korb, J.
A1 - Lee, C.-Y.
A1 - Legendre, F.
A1 - Li, H.-F.
A1 - Lo, N.
A1 - Lu, T.
A1 - Matsuura, K.
A1 - Maekawa, K.
A1 - McMahon, Dino Peter
A1 - Mizumoto, N.
A1 - Oliveira, D. E.
A1 - Poulsen, M.
A1 - Sillam-Dussès, D.
A1 - Su, N.-Y.
A1 - Tokuda, G.
A1 - Vargo, E. L.
A1 - Ware, J. L.
A1 - Šobotník, J.
A1 - Scheffrahn, R. H.
A1 - Cancello, E.
A1 - Roisin, Y.
A1 - Engel, M. S.
A1 - Bourguignon, T.
T1 - Genomic data provide insights into the classification of extant termites
N2 - The higher classification of termites requires substantial revision as the Neoisoptera, the most diverse termite lineage, comprise many paraphyletic and polyphyletic higher taxa. Here, we produce an updated termite classification using genomic-scale analyses. We reconstruct phylogenies under diverse substitution models with ultraconserved elements analyzed as concatenated matrices or within the multi-species coalescence framework. Our classification is further supported by analyses controlling for rogue loci and taxa, and topological tests. We show that the Neoisoptera are composed of seven family-level monophyletic lineages, including the Heterotermitidae Froggatt, Psammotermitidae Holmgren, and Termitogetonidae Holmgren, raised from subfamilial rank. The species-rich Termitidae are composed of 18 subfamily-level monophyletic lineages, including the new subfamilies Crepititermitinae, Cylindrotermitinae, Forficulitermitinae, Neocapritermitinae, Protohamitermitinae, and Promirotermitinae; and the revived Amitermitinae Kemner, Microcerotermitinae Holmgren, and Mirocapritermitinae Kemner. Building an updated taxonomic classification on the foundation of unambiguously supported monophyletic lineages makes it highly resilient to potential destabilization caused by the future availability of novel phylogenetic markers and methods. The taxonomic stability is further guaranteed by the modularity of the new termite classification, designed to accommodate as-yet undescribed species with uncertain affinities to the herein delimited monophyletic lineages in the form of new families or subfamilies.
KW - Termite
KW - Taxonomy
KW - Evolution
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608276
DO - https://doi.org/10.1038/s41467-024-51028-y
VL - 15
IS - 1
SP - 1
EP - 17
PB - Springer Science and Business Media LLC
AN - OPUS4-60827
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - El Moutaouakil, H.
A1 - Fuchs, C.
A1 - Savli, E.
A1 - Heimann, Jan
A1 - Prager, Jens
A1 - Moll, J.
A1 - Tschöke, K.
A1 - Márquez Reyes, O.
A1 - Schackmann, O.
A1 - Memmolo, V.
A1 - Schneider, T.
T1 - Acquiring a Machine Learning Data Set for Structural Health Monitoring of Hydrogen Pressure Vessels at Operating Conditions using Guided Ultrasonic Waves
N2 - Hydrogen is an energy source of increasing importance. As hydrogen is very reactive to air and needs to be stored under high pressure, it is crucial to provide safe transportation and storage. Therefore, structural health monitoring, based on guided ultrasonic waves and machine learning methods, is used for Composite Overwrapped Pressure Vessels (COPVs) containing hydrogen. To acquire data that allows robust detection of COPV defects, there are two main process parameters to consider. These are the pressurization of the vessel and the temperature conditions at the vessel. This paper will focus on the derivation of a design of experiment (DoE) from the needs of various validation scenarios (e.g. concerning pressure, temperature or excitation frequency). Practical limitations must be considered as well. We designed experiments with multiple reversible damages at different positions. A network of 25 transducers, structured as five rings with five sensors in one line, is installed on a vessel. Guided ultrasonic waves are used via the pitch-catch procedure, which means that the transducers act pairwise as transmitter and receiver in order to measure all transmitterreceiver combinations. This leads to 600 signal paths, recorded by a Verasonics Vantage 64 LF data acquisition system. Finally, the influences of temperature and pressure within the acquired data set are going to be visualized.
T2 - 11th European Workshop on Structural Health Monitoring
CY - Potsdam, Germany
DA - 10.06.2024
KW - Composite Overwrapped Pressure Vessel
KW - Hydrogen
KW - Guided Ultrasonic Waves
KW - Data Acquisition
KW - Pressurization
KW - Machine Learning
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607472
DO - https://doi.org/10.58286/29754
SN - 1435-4934
SP - 1
EP - 8
AN - OPUS4-60747
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schneider, Beate
A1 - Pfeiffer, Friedhelm
A1 - Remus, Daniela
A1 - Dyall-Smith, Mike
A1 - Kunte, Hans-Jörg
ED - Klepac-Ceraj, Vanja
T1 - Genome sequence of Pseudomonas silesiensis strain G3, a member of a bacterial consortium capable of polyethylene degradation
N2 - A consortium of landfill bacteria including strain G3 can break down polyethylene, a long-lasting plastic that accumulates in the environment. The complete genome sequence of strain G3 was determined by PacBio and Nanopore sequencing and consists of three circular replicons. Genome-based classification assigned strain G3 to the species Pseudomonas silesiensis.
KW - PE degradation
KW - Polyethylene
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-611618
DO - https://doi.org/10.1128/mra.00138-24
SN - 2576-098X
VL - 13
IS - 11
SP - 1
EP - 3
PB - American Society for Microbiology
AN - OPUS4-61161
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Breuninger, Esther S.
A1 - Tolu, Julie
A1 - Aemisegger, Franziska
A1 - Thurnherr, Iris
A1 - Bouchet, Sylvain
A1 - Mestrot, Adrien
A1 - Ossola, Rachele
A1 - McNeill, Kristopher
A1 - Tukhmetova, Dariya
A1 - Vogl, Jochen
A1 - Meermann, Björn
A1 - Sonke, Jeroen E.
A1 - Winkel, Lenny H. E.
T1 - Marine and terrestrial contributions to atmospheric deposition fluxes of methylated arsenic species
N2 - Arsenic, a toxic element from both anthropogenic and natural sources, reaches surface environments through atmospheric cycling and dry and wet deposition. Biomethylation volatilizes arsenic into the atmosphere and deposition cycles it back to the surface, affecting soil-plant systems. Chemical speciation of deposited arsenic is important for understanding further processing in soils and bioavailability. However, the range of atmospheric transport and source signature of arsenic species remain understudied. Here we report significant levels ofmethylated arsenic in precipitation, cloudwater and aerosols collected under free tropospheric conditions at Pic du Midi Observatory (France) indicating long-range transport, which is crucial for atmospheric budgets. Through chemical analyses andmoisture source diagnostics, we identify terrestrial and marine sources for distinct arsenic species. Estimated atmospheric deposition fluxes of methylated arsenic are similar to reported methylation rates in soils, highlighting atmospheric deposition as a significant, overlooked source of potentially bioavailable methylated arsenic
species impacting plant uptake in soils.
KW - Arsenic
KW - Speciation
KW - Fluxes
KW - Marine
KW - Terrestrial
KW - Sulfur isotopes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615551
DO - https://doi.org/10.1038/s41467-024-53974-z
SN - 2041-1723
VL - 15
IS - 1
SP - 1
EP - 13
PB - Springer Science and Business Media LLC
AN - OPUS4-61555
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yagdjian, H.
A1 - Lecompagnon, Julien
A1 - Hirsch, Philipp Daniel
A1 - Ziegler, Mathias
A1 - Gurka, M.
T1 - Application of the thermal shock response spectrum (TSRS) methodology to various forms of heat sources by pulse thermography and comparison by using a rotating line scan contour search algorithm
N2 - In this paper, we propose a novel contour search algorithm (CSA) for image processing. Its efficacy is evaluated through a comparative analysis with established techniques such as Canny Edge and Snakes: Active contour models, utilizing infrared thermography (IRT) images. Based on the new CSA, we investigate the influence of different pulse shapes on the IRT post-processing methodology, particularly focusing on the thermal shock response spectrum (TSRS), using two different heat sources: xenon flash lamps and a laser. Moreover, this allows for a more precise quantitative comparison of the TSRS with existing IRT post-processing techniques, including pulse phase thermography and thermal signal reconstruction, concerning the detection of defects in composite materials, particularly in carbon fiber-reinforced polymer. A quantitative comparison was performed using the Tanimoto criterion and signal-to-noise ratio. A more detailed analysis is conducted to identify inherent limitations and potential benefits of the new TSRS methodology. We further investigate and experimentally confirm our previous finding on the qualitative correlation between the one-dimensional thermal N-layer model and test data from the TSRS optimization process for defect determination. This correlation can eliminate the time-consuming optimization step, making TSRS a more attractive alternative to common IRT methods and enhancing the quantitative description of defects.
KW - Thermography
KW - Non-destructive testing
KW - NDT
KW - Defect identification
KW - Laser
KW - Contour search
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615056
DO - https://doi.org/10.1063/5.0232015
SN - 1089-7550
VL - 136
IS - 175101
SP - 1
EP - 20
PB - AIP Publishing
AN - OPUS4-61505
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Abed, Jehad
A1 - Bai, Yanh
A1 - Persaud, Daniel
A1 - Kim, Jiheon
A1 - Witt, Julia
A1 - Hattrick.Simpers, Jason
A1 - Sargent, Edward
T1 - AMPERE: automated modular platform for expedited and reproducible electrochemical testing
N2 - Rapid and reliable electrochemical screening is critical to accelerate the development of catalysts for sustainable energy generation and storage. This paper introduces an automated and modular platform for expedited and reproducible electrochemical testing (AMPERE), designed to enhance the efficiency and reliability of multivariate optimization. The platform integrates a liquid-handling robot with custommade modular array reactors, offering sample preparation and electrochemical testing in the same platform. Additionally, we use offline inductively coupled plasma optical emission spectroscopy (ICPOES) to measure metal concentrations in the electrolyte after the reaction, which serves as a proxy for assessing the electrochemical stability. We use the platform to conduct 168 experiments continuously in less than 40 hours to examine the influence of catalyst ink formulation on the performance of Ir, Ru, IrO2, and RuO2 for the oxygen evolution reaction (OER) in acid. We specifically investigate the role of solvent type and concentration, catalyst concentration, and binder content on the performance. We find that Ru/RuO2 catalysts show improvements in activity that are not directly linked to improvements in the electrochemical surface area or inversely correlated to Ru dissolution. This suggests a complex interplay between the catalytic performance of the drop-casted catalyst film and ink formulation. AMPERE simplifies catalyst preparation and testing at large scale, making it faster, more reliable, and accessible for
widespread use.
KW - Electrochemical screening
KW - Automated platform
KW - Catalysis
KW - Energy generation and storage
KW - Oxygen evolution reaction (OER)
KW - MAPz@BAM
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-614724
DO - https://doi.org/10.1039/d4dd00203b
SP - 1
EP - 10
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-61472
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Jauregui Rozo, Maria
A1 - Sunder, S:
A1 - Ruckdäschel, H.
A1 - Schartel, Bernhard
T1 - Char, gas, and action: Transfer of the flame-retardant modes of action in epoxy resins and their fiber-reinforced composites
N2 - Flame retardants are often developed for epoxy resins and then transferred into their fiber-reinforced composites with uncertain results. Understanding this transfer in detail represents a critical scientific challenge. This study systematically compares epoxy resins with their glass-fiber reinforced composites, focusing on bisphenol A diglycidyl ether with the hardener dicyandiamide, the flame retardants melamine polyphosphate, ammonium polyphosphate, and silane ammonium polyphosphate, along with inorganic silicate. The research investigates changes in pyrolysis (thermogravimetry), flammability (UL 94, limiting oxygen index), and fire behavior (cone calorimeter) while also examining the flame-retardant modes of action and overall fire performance. The findings reveal that alterations in the amount of fuel, thermal properties, melt flow, and protective layer significantly impact ignition, flammability, and fire load, with a critical reduction in carbonaceous char within the composites preventing intumescence. This study quantifies the effects and provides a fundamental scientific understanding of the complex transfer process of flame retardants from resins to composites, offering essential insights that are of major importance for developing more effective flame-retardant materials.
KW - Glas fibers
KW - Epoxy resins
KW - Fire behavior
KW - Flammability
KW - Composites
KW - Flame retardants
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615371
DO - https://doi.org/10.1016/j.polymertesting.2024.108610
SN - 0142-9418
SN - 1873-2348
VL - 140
PB - Elsevier Ltd.
AN - OPUS4-61537
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chaudhuri, Somsubhro
A1 - Stamm, Michael
A1 - Lapšanská, Ivana
A1 - Lançon, Thibault
A1 - Osterbrink, Lars
A1 - Driebe, Thomas
A1 - Hein, Daniel
A1 - Harendt, René
T1 - Infrared Thermography of Turbulence Patterns of Operational Wind Turbine Rotor Blades Supported With High‐Resolution Photography: KI‐VISIR Dataset
N2 - With increasing wind energy capacity and installation of wind turbines, new inspection techniques are being explored to examine wind turbine rotor blades, especially during operation. A common result of surface damage phenomena (such as leading edge erosion) is the premature transition of laminar to turbulent flow on the surface of rotor blades. In the KI-VISIR (Künstliche Intelligenz Visuell und Infrarot Thermografie—Artificial Intelligence-Visual and Infrared Thermography) project, infrared thermography is used as an inspection tool to capture so-called thermal turbulence patterns (TTPs) that result from such surface contamination or damage. To complement the thermographic inspections, high-resolution photography is performed to visualise, in detail, the sites where these turbulence patterns initiate. A convolutional neural network (CNN) was developed and used to detect and localise turbulence patterns. A unique dataset combining the thermograms and visual images of operational wind turbine rotor blades has been provided, along with the simplified annotations for the turbulence patterns. Additional tools are available to allow users to use the data requiring only basic Python programming skills.
KW - Thermography
KW - Thermografie
KW - Wind energy
KW - Leading edge erosion
KW - KI
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615772
DO - https://doi.org/10.1002/we.2958
IS - e2958
SP - 1
EP - 9
PB - Wiley
AN - OPUS4-61577
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Vo, P. H.N.
A1 - Vogel, Christian
A1 - Nguyen, H. T.M.
A1 - Hamilton, B. R.
A1 - Thai, P. K.
A1 - Roesch, Philipp
A1 - Simon, Franz-Georg
A1 - Mueller, J. F.
T1 - µ-X-ray fluorescence (XRF) and fluorine K-edge µ-X-ray absorption near-edge structure (XANES) spectroscopy for detection of PFAS distribution in the impacted concrete
N2 - An improved understanding of the distribution of per- and polyfluoroalkyl substances (PFAS) in PFAS-impacted concrete is important for risk management and decontamination of PFAS. This study incorporates µ-X-ray fluorescence (µ-XRF) and fluorine K-edge µ-X-ray absorption near-edge structure (µ-XANES) spectroscopy to gain non-destructive insights into PFAS distribution in the impacted concrete. The μ-XRF and μ-XANES spectroscopy provided additional details on the detection of PFAS, which were not detected by the desorption electrospray ionization (DESI) imaging method conducted previously. The shorter chain PFAS were found on the top part of the concrete core (0.5 cm), and longer chain PFAS were mostly at the bottom part of the concrete core (5 cm). The inorganic fluorine fraction was also detected, and it likely hampered the detection of organic fluorine such as PFAS in the concrete. Thus, this non-destructive technique is an complementary approach to detect PFAS in contaminated concrete.
KW - Beton
KW - Per- and Polyfluoroalkyl substances (PFAS)
KW - XANES spectroscopy
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-616711
DO - https://doi.org/10.1016/j.hazl.2024.100134
SN - 2666-9110
VL - 5
SP - 1
EP - 5
PB - Elsevier B.V.
AN - OPUS4-61671
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 - 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 - 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 - Gregório, Bruno J.R.
A1 - Ramos, Inês I.
A1 - Marques, Sara S.
A1 - Barreiros, Luísa
A1 - Magalhães, Luís M.
A1 - Schneider, Rudolf
A1 - Segundo, Marcela A.
T1 - Microcarrier-based fluorescent yeast estrogen screen assay for fast determination of endocrine disrupting compounds
N2 - The presence of endocrine-disrupting compounds (EDCs) in water poses a significant threat to human and animal health, as recognized by regulatory agencies throughout the world. The Yeast Estrogen Screen (YES) assay is an excellent method to evaluate the presence of these compounds in water due to its simplicity and capacity to assess the bioaccessible forms/fractions of these compounds. In the presence of a compound with estrogenic activity, Saccharomyces cerevisiae cells, containing a lacZ reporter gene encoding the enzyme β-galactosidase, are induced, the enzyme is synthesised, and released to the extracellular medium. In this work, a YES-based approach encompassing the use of a lacZ reporter gene modified strain of S. cerevisiae, microcarriers as solid support, and a fluorescent substrate, fluorescein di-β-D-galactopyranoside, is proposed, allowing for the assessment of EDCs’ presence after only 2 h of incubation. The proposed method provided an EC50 of 0.17 ± 0.03 nM and an LLOQ of 0.03 nM, expressed as 17β-estradiol. The assessment of different EDCs provided EC50 values between 0.16 and 1.2 × 103 nM. After application to wastewaters, similar results were obtained for EDCs screening, much faster, compared to the conventional 45 h spectrophotometric procedure using a commercial kit, showing potential for onsite high-throughput screening of environmental contamination.
KW - Biosensoren
KW - YES assay
KW - Endokrine Disruptoren
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602315
DO - https://doi.org/10.1016/j.talanta.2024.125665
VL - 271
SP - 1
EP - 7
PB - Elsevier B.V.
CY - Amsterdam
AN - OPUS4-60231
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Braymer, Joseph J.
A1 - Stehling, Oliver
A1 - Stümpfig, Martin
A1 - Rösser, Ralf
A1 - Spantgar, Farah
A1 - Blinn, Catharina M.
A1 - Mühlenhoff, Ulrich
A1 - Pierik, Antonio J.
A1 - Lill, Roland
T1 - Requirements for the biogenesis of [2Fe-2S] proteins in the human and yeast cytosol
N2 - The biogenesis of iron–sulfur (Fe/S) proteins entails the synthesis and trafficking of Fe/S clusters, followed by their insertion into target apoproteins. In eukaryotes, the multiple steps of biogenesis are accomplished by complex protein machineries in both mitochondria and cytosol. The underlying biochemical pathways have been elucidated over the past decades, yet the mechanisms of cytosolic [2Fe-2S] protein assembly have remained ill-defined. Similarly, the precise site of glutathione (GSH) requirement in cytosolic and nuclear Fe/S protein biogenesis is unclear, as is the molecular role of the GSH-dependent cytosolic monothiol glutaredoxins (cGrxs). Here, we investigated these questions in human and yeast cells by various in vivo approaches. [2Fe-2S] cluster assembly of cytosolic target apoproteins required the mitochondrial ISC machinery, the mitochondrial transporter Atm1/ABCB7 and GSH, yet occurred independently of both the CIA system and cGrxs. This mechanism was strikingly different from the ISC-, Atm1/ABCB7-, GSH-, and CIA-dependent assembly of cytosolic–nuclear [4Fe-4S] proteins. One notable exception to this cytosolic [2Fe-2S] protein maturation pathway defined here was yeast Apd1 which used the CIA system via binding to the CIA targeting complex through its C-terminal tryptophan. cGrxs, although attributed as [2Fe-2S] cluster chaperones or trafficking proteins, were not essential in vivo for delivering [2Fe-2S] clusters to either CIA components or target apoproteins. Finally, the most critical GSH requirement was assigned to Atm1-dependent export, i.e. a step before GSH-dependent cGrxs function. Our findings extend the general model of eukaryotic Fe/S protein biogenesis by adding the molecular requirements for cytosolic [2Fe-2S] protein maturation.
KW - Biokorrosion
KW - Hydrogenasen
KW - Microbially Induced Corrosion
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602328
DO - https://doi.org/10.1073/pnas.2400740121
SN - 0027-8424
VL - 121
IS - 21
SP - 1
EP - 12
PB - Proceedings of the National Academy of Sciences
CY - Washington D.C.
AN - OPUS4-60232
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dace, Elina
A1 - Cascavilla, Alessandro
A1 - Bianchi, Marco
A1 - Chioatto, Elisa
A1 - Zecca, Emy
A1 - Ladu, Luana
A1 - Yilan, Gülsah
T1 - Barriers to transitioning to a circular bio-based economy: Findings from an industrial perspective
N2 - The transition from a linear fossil-based to a circular bio-based economy represents an opportunity and a suitable pathway for achieving several sustainable development goals. However, the transition is a complex process since it requires transformative policies, purposeful innovation, access to finance, risk-taking capacity as well as new and sustainable business models and markets. Accordingly, the first step in this transition process is the identification of barriers that are hampering the transition to a sustainable circular bio-based economy. With this motivation in mind, this study reviews grey literature to identify barriers focusing on four critical sectors facing major challenges within the current linear economy and requiring a sustainable transition most urgently: construction, chemicals, plastics, and textile sectors. Employing an adapted STEEP methodology (Social, Technological, Economical, Environmental, Political), a total of 193 different barriers have been identified and clustered under six categories: cultural, technical, economic, environmental, governance, and structural. Regardless of the sector, cultural and structural barriers are identified as the most prominent; the lack of incentives for consumer behaviour change and lack of stakeholder collaboration were the most cited barriers among the literature records. From a value chain perspective, most of the barriers are related to the material processing and product manufacturing stage. Finally, potential solutions, extracted from the grey literature, are proposed to fill the gaps and overcome the identified barriers. Many of the identified barriers are common across the four investigated sectors, indicating the solutions or measures can be applicable in a wider perspective to promote the transition in the right direction.
KW - Circular Bio-based Economy
KW - Barriers
KW - Sustainability
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602062
DO - https://doi.org/10.1016/j.spc.2024.05.029
VL - 48
SP - 407
EP - 418
PB - Elsevier Ltd.
AN - OPUS4-60206
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Albakri, Bashar
A1 - Turski Silva Diniz, Analice
A1 - Benner, Philipp
A1 - Muth, Thilo
A1 - Nakajima, Shinichi
A1 - Favaro, Marco
A1 - Kister, Alexander
ED - Hillman, Robert
T1 - Machine learning-assisted equivalent circuit identification for dielectric spectroscopy of polymers
N2 - Polymers have become indispensable across fields of application, and understanding their structure–property relationships and dynamic behaviour is essential for performance optimization. Polymer membranes, particularly ion exchange membranes, play a crucial role in renewable energy conversion technologies, fuel cells, solar energy conversion, and energy storage. In this context, broadband dielectric spectroscopy (BDS) offers a powerful, non-destructive approach to investigate the electrical response and relaxation dynamics of polymers. These properties are investigated by parametrizing the system’s impedance response in terms of a network of circuit elements, i.e. the electrical equivalent circuit (EEC), whose impedance resembles the one of the system under investigation. However, the determination of the EEC from BDS data is challenging due to system complexity, interdependencies of circuit elements, and researcher biases. In this work, we propose a novel approach that incorporates a convolutional neural network (CNN) model to predict the EEC topology. By reducing user bias and enhancing data analysis, this approach aims to make BDS accessible to both experienced users and those with limited expertise. We show that the combination of machine learning and BDS provides valuable insights into the dynamic behaviour of polymer membranes, thus facilitating the design and characterization of tailored polymers for various applications. We also show that our model outperforms state-of-the-art machine learning methods with a top-5 accuracy of around 80% for predicting the circuit topology and a parameter fitting error as low as 0.05%.
KW - Polymer membranes
KW - Electrochemical impedance spectroscopy
KW - Broadband dielectric spectroscopy
KW - Deep learning
KW - Machine learning
KW - Equivalent circuit
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602138
DO - https://doi.org/10.1016/j.electacta.2024.144474
SN - 0013-4686
VL - 496
SP - 1
EP - 13
PB - Elsevier Ltd.
AN - OPUS4-60213
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Groschke, Matthias
A1 - Becker, Roland
T1 - Comparison of carrier gases for the separation and quantification of mineral oil hydrocarbon (MOH) fractions using online coupled high performance liquid chromatography-gas chromatography-flame ionisation detection
N2 - On-line coupled high performance liquid chromatography-gas chromatography-flame ionisation detection (HPLC-GC-FID) was used to compare the effect of hydrogen, helium and nitrogen as carrier gases on the chromatographic characteristics for the quantification of mineral oil hydrocarbon (MOH) traces in food related matrices. After optimisation of chromatographic parameters nitrogen carrier gas exhibited characteristics equivalent to hydrogen and helium regarding requirements set by current guidelines and standardisation such as linear range, quantification limit and carry over. Though nitrogen expectedly led to greater peak widths, all required separations of standard compounds were sufficient and humps of saturated mineral oil hydrocarbons (MOSH) and aromatic mineral oil hydrocarbons (MOAH) were appropriate to enable quantitation similar to situations where hydrogen or helium had been used. Slightly increased peak widths of individual hump components did not affect shapes and widths of the MOSH and MOAH humps were not significantly affected by the use of nitrogen as carrier gas. Notably, nitrogen carrier gas led to less solvent peak tailing and smaller baseline offset. Overall, nitrogen may be regarded as viable alternative to hydrogen or helium and may even extend the range of quantifiable compounds to highly volatile hydrocarbon eluting directly after the solvent peak.
KW - Mineral oil hydrocarobons
KW - Food
KW - Liquid chromatography
KW - Gas chromatography
KW - MOSH/MOAH
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601450
DO - https://doi.org/10.1016/j.chroma.2024.464946
SN - 0021-9673
VL - 1726
SP - 1
EP - 7
PB - Elsevier
CY - New York, NY
AN - OPUS4-60145
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schepers, Winfried
A1 - Kulke, D.
T1 - Cone penetration tests and dynamic soil properties
N2 - ISO 14837-32:2015 and DIN EN 1998-1/NA:2021 as well as prEN 1997-2:2022 allow for us-ing correlations between the results of in-situ soil penetration tests and shear wave velocity (or shear modulus) to determine soil properties to be used in dynamic analyses. While the ISO and prEN standards even provide some recommendations on specific correlations to be used, the DIN standard does not. Due to the statistical nature of such correlations their general applica-bility has to be verified. We collected data sets from test sites from Germany as well as New Zealand at which cone penetration tests (CPT) as well as seismic site investigation methods were conducted. These sites comprise sandy soils as well as clayey soils, mixed soils as well as glacial soils. We compare the results of several correlations between CPT results and shear wave velocity. The accuracy of such correlations is assessed with respect to the accuracy of seismic in-situ tests. It turns out that for clean sands such correlations between CPT and Vs have a similar order of variability as seismic in-situ tests conducted at the same site. The higher the fines portion of the soil, the higher the variability of the statistical correlations, and conse-quently the less the general applicability. For glacial soils and other special soil types usage of statistical correlations to determine dynamic soil properties is not recommended.
T2 - XII International Conference on Structural Dynamics
CY - Delft, Netherlands
DA - 02.07.2023
KW - Wave propagation
KW - Soil properties
KW - Dynamic excitation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604887
DO - https://doi.org/10.1088/1742-6596/2647/25/252005
VL - 2647
SP - 1
EP - 11
PB - IOP Publishing
CY - Bristol
AN - OPUS4-60488
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schepers, Winfried
A1 - Brinkgreve, RBJ
A1 - Appel, S.
T1 - Recommendations on finite element modelling of non-seismic excitation in soil-structure interaction problems
N2 - Nowadays geotechnical engineering firms have powerful software tools to extent their consult-ing business also into dynamic soil-structure interaction, which before has been restricted to a rather small community of specialized experts in this field, and they certainly do. This is par-ticularly true with respect to non-seismic sources, that is all kinds of human induced vibrations. Hence, there is a demand from clients as well as from contractors to have guidance on the re-quirements as well as the limits of numerical modelling of soil-structure interaction. From the literature as well as from relevant standards, recommendations for the numerical modelling of soil-structure interaction problems involving seismic actions are well known, e. g. ASCE/SEI 4-16. There are, however, some particularities when dealing with human-induced vibrations, which are absent in seismic analyses. For human-induced excitations very little specific guid-ance has been published in the past. A machine foundation on a homogeneous half space ex-cited by harmonic loads with excitation frequency between 4 Hz and 64 Hz has been ana-lysed by means of several commercially available software packages. Parametric studies have been performed to verify if recommendations for seismic soil-structure analyses are valid for non-seismic analyses as well. This paper provides details on the benchmark example and the most important conclusions from the undertaken parametric studies.
T2 - XII International Conference on Structural Dynamics
CY - Delft, Netherlands
DA - 02.07.2023
KW - Numerische Analysen
KW - Referenzbeispiel
KW - Maschinenfundament
KW - Wellenausbreitung
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604931
DO - https://doi.org/10.1088/1742-6596/2647/8/082014
SN - 1742-6596
VL - 2647
IS - 25
SP - 1
EP - 13
PB - IOP Publishing
AN - OPUS4-60493
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Li, Guiping
A1 - Liu, Ye
A1 - Schultz, Thorsten
A1 - Exner, Moritz
A1 - Muydinov, Ruslan
A1 - Wang, Hui
A1 - Scheurell, Kerstin
A1 - Huang, Jieyang
A1 - Szymoniak, Paulina
A1 - Pinna, Nicola
A1 - Koch, Norbert
A1 - Adelhelm, Philipp
A1 - Bojdys, Michael J.
T1 - One‐Pot Synthesis of High‐Capacity Sulfur Cathodes via In‐Situ Polymerization of a Porous Imine‐Based Polymer
N2 - AbstractLithium‐ion batteries, essential for electronics and electric vehicles, predominantly use cathodes made from critical materials like cobalt. Sulfur‐based cathodes, offering a high theoretical capacity of 1675 mAh g−1 and environmental advantages due to sulfur's abundance and lower toxicity, present a more sustainable alternative. However, state‐of‐the‐art sulfur‐based electrodes do not reach the theoretical capacities, mainly because conventional electrode production relies on mixing of components into weakly coordinated slurries. Consequently, sulfur‘s mobility leads to battery degradation—an effect known as the “sulfur‐shuttle”. This study introduces a solution by developing a microporous, covalently‐bonded, imine‐based polymer network grown in situ around sulfur particles on the current collector. The polymer network (i) enables selective transport of electrolyte and Li‐ions through pores of defined size, and (ii) acts as a robust host to retain the active component of the electrode (sulfur species). The resulting cathode has superior rate performance from 0.1 C (1360 mAh g−1) to 3 C (807 mAh g−1). Demonstrating a high‐performance, sustainable sulfur cathode produced via a simple one‐pot process, our research underlines the potential of microporous polymers in addressing sulfur diffusion issues, paving the way for sulfur electrodes as viable alternatives to traditional metal‐based cathodes.
KW - In-situ polymerization
KW - Sulfur cathodes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604215
DO - https://doi.org/10.1002/anie.202400382
SN - 1433-7851
SP - 1
EP - 11
PB - Wiley VHC-Verlag
AN - OPUS4-60421
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Häßler, Dustin
A1 - Mund, Maximilian
A1 - Daus, Lars-Hendrik
A1 - Hothan, Sascha
A1 - Schaumann, Peter
A1 - Schartel, Bernhard
T1 - Durability of intumescent coatings and recommendations for test concepts for a working life of more than 10 years
N2 - It is an essential requirement for all building products to ensure durability of their fire safety. Throughout the working life of products, intumescent coatings are aged by certain climatic factors. To predict a lifetime of several years, generally the behaviour of the intumescent coating is extrapolated based on accelerated artificial ageing. The established German and European procedures to assess the durability assume a working life of at least 10 years. For a longer period, additional evidence is required; yet the procedure and the specifications to justify this are not described. In addition to addressing this formal lack, from a scientific point of view it is necessary to investigate the degradation of intumescent coatings in detail and to propose a reliable test concept to assess durability for more than 10 years. This paper summarises the existing knowledge about the ageing of intumescent coatings. The results of various demanding weathering approaches are presented for two intumescent coatings tested in a joint research project. Moreover, formulations with a reduced amount of functionally relevant components were analysed to gain insight into the associated effects. Derived from these research results and knowledge, recommendations are proposed to assess the durability of intumescent coatings for more than 10 years based on a combination of verifications.
KW - Ageing
KW - Fire protection
KW - Intumescent coating
KW - Steel construction
KW - Working life
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603852
DO - https://doi.org/10.1016/j.firesaf.2024.104173
SN - 0379-7112
VL - 146
SP - 1
EP - 10
PB - Elsevier B.V.
AN - OPUS4-60385
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Hirsch, Philipp Daniel
A1 - Kunji Purayil, Sruthi Krishna
A1 - Lecompagnon, Julien
A1 - Hassenstein, Christian
A1 - Ziegler, Mathias
T1 - Robotergestützte 3D-Scans und Laserthermografie zur Prüfung an komplexen Bauteilen auf Risse
N2 - Die Integration von Automation und Robotik in die Prüfprozesse ermöglicht die
Untersuchung komplexer Bauteile. Diese Studie präsentiert die robotergestützte
Laserthermografie, um Risse in solchen Bauteilen zu identifizieren und analysieren. Diese Technik ermöglicht die automatisierte Rissprüfung welche im Vergleich zur Farbeindringprüfung auf viele, meist manuelle, Arbeitsschritte sowie die notwendigen Chemikalien verzichtet.
Zusätzlich wird ein automatisiertes Einscannen der Bauteile mithilfe eines
Linienscanners vorgestellt. Dieser Schritt ermöglicht eine detaillierte 3D-Rekonstruktion der Bauteilgeometrie und ermöglicht eine einfache Korrektur von Abweichungen in der Bauteilaufnahme und eröffnet Möglichkeiten zur adaptiven Bahnplanung bei Bauteilverformungen.
Die Rückprojektion der gefundenen Risse auf die Oberfläche des Bauteils kann
automatisiert erfolgen. Dieser Schritt erlaubt nicht nur die Identifikation der Risse, sondern auch eine genauere Analyse ihrer Geometrie und Lage am Bauteil.
Die Kombination von robotergestützter Laserthermografie, automatisiertem 3DScanning und Rückprojektion der Risse auf die Bauteiloberfläche eröffnet neue
Möglichkeiten in der zerstörungsfreien Prüfung von komplexen Bauteilen und erweitert damit mögliche Anwendungsfelder.
T2 - Jahrestagung der Deutschen Gesellschaft für Zerstörungsfreie Prüfung (DGZfP) 2024
CY - Osnabrück, Germany
DA - 06.05.2024
KW - ZFP4.0
KW - Automatisierung
KW - Thermografie
KW - Laser
KW - Roboter
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604811
UR - https://www.ndt.net/?id=29520
VL - 182
SP - 1
EP - 8
PB - NDT.net
AN - OPUS4-60481
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Maulas, Kryzzyl M.
A1 - Paredes, Charla S.
A1 - Tabelin, Carlito Baltazar
A1 - Jose, Mark Anthony
A1 - Opiso, Einstine M.
A1 - Arima, Takahiko
A1 - Park, Ilhwan
A1 - Mufalo, Walubita
A1 - Ito, Mayumi
A1 - Igarashi, Toshifumi
A1 - Phengsaart, Theerayut
A1 - Villas, Edrhea
A1 - Dagondon, Sheila L.
A1 - Metillo, Ephrime B.
A1 - Uy, Mylene M.
A1 - Manua, Al James A.
A1 - Villacorte-Tabelin, Mylah
T1 - Isolation and Characterization of Indigenous Ureolytic Bacteria from Mindanao, Philippines: Prospects for Microbially Induced Carbonate Precipitation (MICP)
N2 - Microbially induced carbonate precipitation (MICP), a widespread phenomenon in nature, is gaining attention as a low-carbon alternative to ordinary Portland cement (OPC) in geotechnical engineering and the construction industry for sustainable development. In the Philippines, however, very few works have been conducted to isolate and identify indigenous, urease-producing (ureolytic) bacteria suitable for MICP. In this study, we isolated seven, ureolytic and potentially useful bacteria for MICP from marine sediments in Iligan City. DNA barcoding using 16s rDNA identified six of them as Pseudomonas stutzeri, Pseudomonas pseudoalcaligenes, Bacillus paralicheniformis, Bacillus altitudinis, Bacillus aryabhattai, and Stutzerimonas stutzeri but the seventh was not identified since it was a bacterial consortium. Bio-cementation assay experiments showed negligible precipitation in the control (without bacteria) at pH 7, 8, and 9. However, precipitates were formed in all seven bacterial isolates, especially between pH 7 and 8 (0.7–4 g). Among the six identified bacterial species, more extensive precipitation (2.3–4 g) and higher final pH were observed in S. stutzeri, and B. aryabhattai, which indicate better urease production and decomposition, higher CO2 generation, and more favorable CaCO3 formation. Characterization of the precipitates by scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) and attenuated total reflectance Fourier transform spectroscopy (ATR-FTIR) confirmed the formation of three carbonate minerals: calcite, aragonite, and vaterite. Based on these results, all six identified indigenous, ureolytic bacterial species from Iligan City are suitable for MICP provided that the pH is controlled between 7 and 8. To the best of our knowledge, this is the first report of the urease-producing ability and potential for MICP of P. stutzeri, P. pseudoalcaligenes, S. stutzeri, and B. aryabhattai.
KW - Calcium carbonate
KW - Microbially induced carbonate precipitation (MICP)
KW - Ureolytic bacteria
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600888
DO - https://doi.org/10.3390/min14040339
VL - 14
IS - 4
SP - 1
EP - 15
PB - MDPI
AN - OPUS4-60088
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Casperson, Ralf
A1 - Friedrich, Alexander
A1 - Heckel, Thomas
A1 - Zhang, Tianyun
T1 - Verwendung von DICONDE bei der Eisenbahn-Schienenprüfung
N2 - Bei der zerstörungsfreien Prüfung verlegter Eisenbahnschienen werden die Rohdaten derzeit in proprietären Datenformaten gespeichert und auf Datenträgern zwischen den Prüfzügen und den auswertenden Stellen versendet. Die proprietären Datenformate sind in der Regel nur den Herstellern der Prüfsysteme bekannt und deren Dokumentation nicht allgemein zugänglich.
Die „Standard Practice for Digital Imaging and Communication in Nondestructive Evaluation“ (DICONDE), basierend auf dem medizinischen Standard „Digital Imaging and Communication in Medicine“ (DICOM), ermöglicht es, sowohl Prüfdaten als auch Prüfergebnisse und Streckeninformationen in einem standardisierten Format zu speichern und zwischen verschiedenen Endpunkten zu übertragen.
Das Poster gibt zunächst einen kurzen Überblick über die hierarchische Struktur von DICONDE und zeigt dann, wie DICONDE bei der Prüfung verlegter Eisenbahnschienen verwendet werden kann. Die geometrischen Besonderheiten (mehrere Kilometer Länge pro Prüffahrt, kurviger Streckenverlauf) stellen dabei eine besondere Herausforderung dar. Im Rahmen des mFUND-geförderten Projektes „Arteficial Intelligence for Railway Inspection (AIFRI)“, Förderkennzeichen 19FS2014C, wurde ein Vorschlag für eine Erweiterung des DICONDE-Standards für die Schienenprüfung erarbeitet und bei der ASTM eingereicht.
T2 - DGZfP Jahrestagung 2024
CY - Osnabrück, Germany
DA - 05.05.2024
KW - DICONDE
KW - Eisenbahn
KW - Schienenprüfung
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600204
DO - https://doi.org/10.58286/29500
SP - 1
EP - 5
PB - NDT.net
AN - OPUS4-60020
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Poka, Konstantin
A1 - Ali, Sozol
A1 - Saeed, Waleed
A1 - Merz, Benjamin
A1 - Epperlein, Martin
A1 - Hilgenberg, Kai
T1 - Design and implementation of a machine log for PBF-LB/M on basis of IoT communication architectures and an ETL pipeline
N2 - AbstractPowder Bed Fusion with Laser Beam of Metals (PBF-LB/M) has gained more industrial relevance and already demonstrated applications at a small series scale. However, its widespread adoption in various use cases faces challenges due to the absence of interfaces to established Manufacturing Execution Systems (MES) that support customers in the predominantly data-driven quality assurance. Current state-of-the-art PBF-LB/M machines utilize communication architectures, such as OPC Unified Architecture (OPC UA), Message Queuing Telemetry Transport (MQTT) and Representational State Transfer Application Programming Interface (REST API). In the context of the Reference Architecture Model Industry 4.0 (RAMI 4.0) and the Internet of Things (IoT), the assets, particularly the physical PBF-LB/M machines, already have an integration layer implemented to communicate data such as process states or sensor values. Missing is an MES component acting as a communication and information layer. To address this gap, the proposed Extract Transform Load (ETL) pipeline aims to extract relevant data from the fabrication of each build cycle down to the level of scan vectors and additionally to register process signals. The suggested data schema for archiving each build cycle adheres to all terms defined by ISO/TC 261—Additive Manufacturing (AM). In relation to the measurement frequency, all data are reorganized into entities, such as the AM machine, build cycle, part, layer, and scan vector. These scan vectors are stored in a runtime-independent format, including all metadata, to be valid and traceable. The resulting machine log represents a comprehensive documentation of each build cycle, enabling data-driven quality assurance at process level.
KW - FAIR data
KW - Data-driven quality assurance
KW - Laser powder bed fusion
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601256
DO - https://doi.org/10.1007/s40964-024-00660-7
SN - 2363-9512
SP - 1
EP - 12
PB - Springer Science and Business Media LLC
AN - OPUS4-60125
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schmidt, Stephan
A1 - Hoffmann, Holger
A1 - Garbe, Leif-Alexander
A1 - Harrer, Andrea
A1 - Steiner, Markus
A1 - Himly, Martin
A1 - Schneider, Rudolf
T1 - Re-assessment of monoclonal antibodies against diclofenac for their application in the analysis of environmental waters
N2 - The non-steroidal anti-inflammatory drug (NSAID) diclofenac (DCF) is an important environmental contaminant occurring in surface waters all over the world, because, after excretion, it is not adequately removed from wastewater in sewage treatment plants. To be able to monitor this pollutant, highly efficient analytical methods are needed, including immunoassays. In a medical research project, monoclonal antibodies against diclofenac and its metabolites had been produced. Based on this monoclonal anti-DCF antibody, a new indirect competitive enzyme-linked immunosorbent assay (ELISA) was developed and applied for environmental samples. The introduction of a spacer between diclofenac and the carrier protein in the coating conjugate led to higher sensitivity. With a test midpoint of 3 mg L−1 and a measurement range of 1–30 mg L−1, the system is not sensitive enough for direct analysis of surface water. However, this assay is quite robust against matrix influences and can be used for wastewater. Without adjustment of the calibration, organic solvents up to 5%, natural organic matter (NOM) up to 10 mg L−1, humic acids up to 2.5 mg L−1, and salt concentrations up to 6 g L−1 NaCl and 75 mg L−1 CaCl2 are tolerated. The antibody is also stable in a pH range from 3 to 12. Cross-reactivity (CR) of 1% or less was determined for the metabolites 40-hydroxydiclofenac (40-OH-DCF), 5-hydroxydiclofenac (5-OH-DCF), DCF lactam, and other NSAIDs. Relevant cross-reactivity occurred only with an amide derivative of DCF, 6-aminohexanoic acid (DCF-Ahx), aceclofenac (ACF) and DCF methyl ester (DCF-Me) with 150%, 61% and 44%, respectively. These substances, however, have not been found in samples. Only DCF-acyl glucuronide with a cross-reactivity of 57% is of some relevance. For the first time, photodegradation products were tested for cross-reactivity. With the ELISA based on this antibody, water samples were analysed. In sewage treatment plant effluents, concentrations in the range of 1.9–5.2 mg L−1 were determined directly, with recoveries compared to HPLC-MS/MS averaging 136%.
Concentrations in lakes ranged from 3 to 4.4 ng L−1 and were, after pre-concentration, determined with an average recovery of 100%
KW - Antikörper
KW - Immunoassay
KW - Wasser
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-602280
DO - https://doi.org/10.1039/d3ay01333b
VL - 16
IS - 21
SP - 3349
EP - 3363
PB - Royal Society of Chemistry (RSC)
CY - London
AN - OPUS4-60228
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Galleani, Gustavo
A1 - Lodi, Thiago A.
A1 - Conner, Robin L.
A1 - Jacobsohn, Luiz G.
A1 - de Camargo, Andrea Simone Stucchi
T1 - Photoluminescence and X-ray induced scintillation in Gd3+-Tb3+ co-doped fluoride-phosphate glasses, and derived glass-ceramics containing NaGdF4 nanocrystals
N2 - The glass system (50NaPO3–20BaF2–10CaF2–20GdF3)-xTbCl3 with x = 0.3, 1, 3, 5, and 10 wt % was investigated. We successfully produced transparent glass ceramic (GC) scintillators with x = 1 through a melt-quenching process followed by thermal treatment. The luminescence and crystallization characteristics of these materials were thoroughly examined using various analytical methods. The nanocrystallization of Tb3+-doped Na5Gd9F32 within the doped fluoride-phosphate glasses resulted in enhanced photoluminescence (PL) and radioluminescence (RL) of the Tb3+ ions. The GC exhibited an internal PL quantum yield of 33 % and the integrated RL intensity across the UV-visible range was 36 % of that reported for the commercial BGO powder scintillator. This research showcases that Tb-doped fluoridephosphate GCs containing nanocrystalline Na5Gd9F32 have the potential to serve as efficient scintillators while having lower melting temperature compared to traditional silicate and germanate glasses.
KW - Glass scintillator
KW - Fluoride phosphate glasses
KW - Gd3+
KW - Tb3+
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603588
DO - https://doi.org/10.1016/j.omx.2023.100288
VL - 21
SP - 1
EP - 9
PB - Elsevier B.V.
AN - OPUS4-60358
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tatzel, Michael
A1 - Oelze, Marcus
A1 - Frick, Daniel A.
A1 - Di Rocco, Tommaso
A1 - Liesegang, Moritz
A1 - Stuff, Maria
A1 - Wiedenbeck, Michael
T1 - Silicon and oxygen isotope fractionation in a silicified carbonate rock
N2 - Silicon isotope fractionation during silicification is poorly understood and impedes our ability to decipher paleoenvironmental conditions from Si isotopes in ancient cherts. To investigate isotope fractionation during silica-for-carbonate replacement we analyzed the microscale Si and O isotope composition in different silica phases in a silicified zebra dolostone as well as their bulk δ18O and Δ’17O compositions. The subsequent replacement of carbonate layers is mimicked by decreasing δ18O and δ30Si. The textural relationship and magnitude of Si and O isotope fractionation is best explained by near-quantitative silica precipitation in an open system with finite Si. A Rayleigh model for silicification suggests positive Ɛ30/28Si during silicification, conforming with predictions for isotope distribution at chemical equilibrium from ab-initio models. Application of the modelled Ɛ30Si-T relationship yields silicification temperatures of approx. 50°C. To reconcile the δ18Ochert composition with these temperatures, the δ18O of the fluid must have been between -2.5 and -4 ‰, compositions for which the quartz phases fall close to the oxygen equilibrium fractionation line in three-isotope space. Diagenetic silica replacement appears to occur in O and Si isotopic equilibrium allowing reconstructions of temperatures of silicification from Si isotopes and derive the δ18O composition of the fluid – a highly desired value needed for accurate reconstructions of the temperature- and δ18O histories of the oceans.
KW - Silicon isotopes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603430
DO - https://doi.org/10.1016/j.chemgeo.2024.122120
SN - 0009-2541
VL - 658
SP - 1
EP - 13
PB - Elsevier B.V.
AN - OPUS4-60343
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Wosniok, Aleksander
A1 - Königsbauer, Korbinian
A1 - Nöther, Nils
A1 - Färber, Jan
A1 - Schaller, M.-Barbara
A1 - Krebber, Katerina
T1 - Distributed polymer optical fiber sensors using digital I-OFDR for geotechnical infrastructure health monitoring
N2 - We present a distributed polymer optical fiber sensor system for deformation monitoring of geotechnical infrastructure. The sensor system is based on the digital incoherent optical frequency domain reflectometry (I-OFDR) for the detection of local strain events along a perfluorinated polymer optical fiber (PF-POF) used as a sensing fiber. For the best possible load transfer, the PF-POFs were integrated onto geosynthetics which pose a sensor carrier for the sensing fiber. By using elastic PF-POF instead of a standard glass fiber as a sensing fiber the strain range of geosynthetics-integrated fiber optic sensors could be extended up to 10 % in accordance with the end-user requirements.
T2 - 11th European Workshop on Structural Health Monitoring
CY - Potsdam, Germany
DA - 10.06.2024
KW - Digital I-OFDR
KW - Distributed polymer optical fiber sensor
KW - Ddistributed strain sensing
KW - Smart geosynthetics
KW - Structural health monitoring
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603096
SP - 1
EP - 7
PB - NDT.net
AN - OPUS4-60309
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Charmi, Amir
A1 - Heimann, Jan
A1 - Duffner, Eric
A1 - Hashemi, Seyedreza
A1 - Prager, Jens
T1 - Application of deep learning for structural health monitoring of a composite overwrapped pressure vessel undergoing cyclic loading
N2 - Structural health monitoring (SHM) using ultrasonic-guided waves (UGWs) enables continuous monitoring of components with complex geometries and provides extensive information about their structural integrity and their overall condition. Composite overwrapped pressure vessels (COPVs) used for storing hydrogen gases at very high pressures are an example of a critical infrastructure that could benefit significantly from SHM. This can be used to increase the periodic inspection intervals, ensure safe operating conditions by early detection of anomalies, and ultimately estimate the remaining lifetime of COPVs. Therefore, in the digital quality infrastructure initiative (QI-Digital) in Germany, an SHM system is being developed for COPVs used in a hydrogen refueling station. In this study, the results of a lifetime fatigue test on a Type IV COPV subjected to many thousands of load cycles under different temperatures and pressures are presented to demonstrate the strengths and challenges associated with such an SHM system. During the cyclic testing up to the final material failure of the COPV, a sensor network of fifteen surface-mounted piezoelectric (PZT) wafers was used to collect the UGW data. However, the pressure variations, the aging process of the COPV, the environmental parameters, and possible damages simultaneously have an impact on the recorded signals. This issue and the lack of labeled data make signal processing and analysis even more demanding. Thus, in this study, semi-supervised, and unsupervised deep learning approaches are utilized to separate the influence of different variables on the UGW data with the final aim of detecting and localizing the damage before critical failure.
T2 - 11th European Workshop on Structural Health Monitoring
CY - Potsdam, Germany
DA - 10.06.2024
KW - Structural health monitoring
KW - Deep learning
KW - Ultrasonic-guided waves
KW - Anomaly detection
KW - Damage localization
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607396
DO - https://doi.org/10.58286/29751
SP - 1
EP - 8
AN - OPUS4-60739
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hupp, Vitus
A1 - Schartel, Bernhard
A1 - Flothmeier, K.
A1 - Hartwig, A.
T1 - Pyrolysis and flammability of phosphorus based flame retardant pressure sensitive adhesives and adhesive tapes
N2 - Pressure-sensitive adhesive tapes are used in a variety of applications such as construction, aircrafts, railway vehicles, and ships, where flame retardancy is essential. Especially in these applications, phosphorus-based flame retardants are often chosen over halogenated ones due to their advantages in terms of toxicity. Although there are pressure-sensitive adhesives with phosphorus flame retardants available on the market, their flame-retardant modes of action and mechanisms are not entirely understood. This research article provides fundamental pyrolysis research of three phosphorus-based flame retardants that exhibit different mechanisms in a pressuresensitive adhesive matrix. The flame-retardants modes of action and mechanisms of a 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) derivate, an aryl phosphate, and a self-synthesized, covalently bonded DOPO derivate (copolymerized) are investigated. The blended DOPO derivate is volatilized at rather low temperatures while the covalently bonded DOPO derivate decomposes together with the polymer matrix at the same temperature. Both DOPO derivates release PO radicals which are known for their flame inhibition. The aryl phosphate decomposes at higher temperatures, releases small amounts of aryl phosphates into the gas phase, and acts predominantly the condensed phase. The aryl phosphate acts as precursor for phosphoric acid and improves the charring of the pressure sensitive adhesive matrix. All flame retardants enhance the flammability of the adhesives depending on their individual mode of action while the covalently bonded flame retardant additionally improves the mechanical properties at elevated temperatures making it a promising future technology for pressure-sensitive adhesives.
KW - Pyrolysis of flame retardant
KW - Pyrolysis gas chromatography
KW - Mass spectrometry
KW - Phosphorus flame retardant
KW - Decomposition mechanism
KW - Flame retardant pressure sensitive adhesives
KW - Flame retardancy
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607192
DO - https://doi.org/10.1016/j.jaap.2024.106658
SN - 0165-2370
SN - 1873-250X
VL - 181
SP - 1
EP - 31
PB - Elsevier B.V.
AN - OPUS4-60719
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -