TY - CONF A1 - Pauw, Brian Richard T1 - NeXus at the core of the HExX-lab N2 - Through bottom-up, comprehensive digitalisation of all aspects of an experiment, the HEX-lab improves the trustworthiness (traceability, reproducibility, quality) of scientific findings. The five main parts that make up a materials science experiment, i.e. Sample preparation, Measurements, Processing, Analysis, and Interpretation, each have been addressed in thorough and unique ways in this lab, building up a foundation for a wide range of materials science collaborations. Improvements span the spectrum. Hardware developments include new sample environments and stages, such as grazing incidence motion towers, electrochemistry cells and flow-through holders, electronic components such as safety interlocks and multipurpose I/O controllers, and liquid handling systems such as coolant flow cross-over systems. Software developments include: 1) a new comprehensive control system operating on both the RoWaN as well as the MOUSE allowing for full Python control and sequencing of all experimentation, 2) Automated scripts for instrument optimization, sample alignments and measurements, 3) revamped data pipelines and analysis software, standalone or launched as part of operations sequencing dashboards on servers, and 4) meticulously structured archival datafiles, fully documenting sample preparation, measurements, processing and analyses. These allow for holistic databases and dashboards to be constructed to investigate the links between synthesis parameters and resulting morphology. This presentation will highlight some of the tools and techniques developed and available in the HEX-lab over the years, from sample environments to overarching experiment and data organisation structures. T2 - Materials Science Core Facility Synergy Forum 2025 CY - Bremen, Germany DA - 26.02.2025 KW - Digitalization KW - Automation KW - HDF5 KW - Traceability KW - Data stewardship KW - Lab automation KW - Holistic science KW - Methodology PY - 2025 AN - OPUS4-62676 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Reimagining user-driven science N2 - The materials scientists we work with do not want (or need) to learn the ways of the scatterer; they are primarily interested in obtaining trustworthy, authoritative answers. In particular, they need structural understanding in light of the wider framework of their experiment(s). Our interest, therefore, lies in helping them attain this this interconnected understanding, while using such investigations to further hone our methodology to approximate perfection. While perfection is by definition an unattainable goal, we have spent the last 15+ years exploring and expanding on many of its constituent aspects (often together with likeminded people) [1]. These aspects include: developing various visualization and simulation tools, deconstructing data corrections and uncertainty estimation, advancing analysis methods, quantifying questions on traceability, documentation, reproducible automation of synthesis-, measurement- and data pipelines, data visualization, exploration and education, and many more… As we explored these individual aspects, it has become clear that high quality output demands involving ourselves in the entire experimental workflow, with all associated aspects. This allows you to establish trustworthy links between parameters, structure, and performance. Through multiple cross-checks and validations, we can furthermore assign a degree of confidence to our findings. This is what we call the holistic approach. This talk will briefly define perfection in scattering experiments, expand on the holistic approach, and show examples to demonstrate its benefits. T2 - Invited talk - special event CY - Trieste, Italy DA - 15.05.2025 KW - X-ray scattering KW - Holistic experiments KW - Laboratory management KW - Laboratory automation KW - Data stewardship KW - User support PY - 2025 AN - OPUS4-63372 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - and now it's bigger…: setting up for large scale experimentation N2 - In our laboratory, we rely heavily on automation for synthesis and measurement. Done right, automation can deliver reliable quantities of excruciatingly detailed data, produced in a reproducible and traceable way. This data then needs sorting and organising, and a good structure of metadata is a good start to long-lasting data. This metadata collection is an essential part of our “holistic experimentation”-approach. In this approach, we try to ensure that all aspects of the experimental chain are performed to a high standard, so that experimental integrity is maintained. In other words: as a failure in one of the components of the chain can make an entire experiment worthless, we must ensure each component is done (and documented) well. In this talk, we show how we 1) synthesise well-documented sample series, 2) apply a complete end-to-end X-ray scattering characterisation methodology to those samples, and 3) can link the data from the synthesis to the structural details obtained from the scattering experiments in a visual dashboard. Furthermore, we will show examples on how data can be organised in hierarchical structures in HDF5-based datafiles, and how this helps move towards more trustworthy, traceable science. T2 - Future Labs Live 2025 CY - Basel, Switzerland DA - 27.05.2025 KW - Lab automation KW - Holistic experiments KW - Synthesis KW - Traceability KW - Data stewardship PY - 2025 AN - OPUS4-63373 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Monroy, José del Refugio A1 - Deshpande, Tejas A1 - Schlecht, Joël A1 - Douglas, Clara A1 - Stirling, Robbie A1 - Grabicki, Niklas A1 - Smales, Glen Jacob A1 - Kochovski, Zdravko A1 - Fabozzi, Filippo Giovanni A1 - Hecht, Stefan A1 - Feldmann, Sascha A1 - Dumele, Oliver T1 - Homochiral versus racemic 2D covalent organic frameworks N2 - The synthesis of homochiral two-dimensional covalent organic frameworks (2D COFs) from chiral π-conjugated building blocks is challenging, as chiral units often lead to misaligned stacking interactions. In this work, we introduce helical chirality into 2D COFs using configurationally stable enantiopure and racemic [5]helicenes as linkers in the backbone of 2D [5]HeliCOFs as powders and films. Through condensation with 1,3,5-triformylbenzene (TFB) or 1,3,5-triformylphloroglucinol (TFP), our approach enables the efficient formation of a set of homochiral and racemic 2D [5]HeliCOFs. The resulting carbon-based crystalline and porous frameworks exhibit distinct structural features and different properties between homochiral and racemic counterparts. Propagation of helical chirality into the backbone of the crystalline frameworks leads to the observation of advanced chiroptical properties in the far-red visible spectrum, along with a less compact structure compared with the racemic frameworks. Homogeneous thin films of [5]HeliCOFs disclosed photoluminescent properties arising from the controlled growth of highly ordered π-conjugated lattices. The present study offers insight into general chiral framework formation and extends the Liebisch−Wallach rule to 2D COFs. KW - Chirality KW - Covalent organic frameworks KW - Diffraction KW - Lattices KW - Thin films PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-633755 DO - https://doi.org/10.1021/jacs.5c01004 SN - 0002-7863 VL - 147 IS - 21 SP - 17750 EP - 17763 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-63375 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Khropost, Diana A1 - Riethmüller, Franziska A1 - Döhring, Thorsten A1 - Flachs, Dennis A1 - Hülagü, Deniz A1 - Hertwig, Andreas A1 - Cotroneo, Vincenzo A1 - gibertini, eugenio T1 - Polydopamine – a bio-inspired polymer for X-ray mirror coatings and other technical applications N2 - Although the organic molecule dopamine (3,4-dihydroxyphenethylamine) is commonly known as one of the “hormones of happiness”, thin polymer films of polydopamine (PDA) also have interesting technical properties. PDA is a very strong glue that sticks on almost everything, even under water. In nature, PDA is found in the byssal thread cuticles of mussels. When produced by dip-coating, the self-organizing PDA layers grow in a reproducible thickness of single or multiple molecule monolayers of a few nanometres thickness only. Here we present an optimized preparation regime as derived from polymerization analysis through absorption spectroscopy. One application is the use of thin PDA overcoatings to increase the soft X-ray reflectivity of astronomical X-ray mirrors. Furthermore, we give an outlook to other technical applications for this interesting material, presenting this bio-inspired organic polymer as an innovative technical solution for the future, with applications such as PDA-based super-capacitors and its promising role in enhancing separator materials for batteries. T2 - SPIE Optics + Optoelectronics 2025 CY - Prague, Czech Republic DA - 07.04.2025 KW - X-ray mirrors KW - Reflectivity KW - Polydopamine KW - Ellipsometry PY - 2025 DO - https://doi.org/10.1117/12.3056298 VL - 13531 SP - 1 EP - 11 PB - SPIE AN - OPUS4-63630 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Khropost, Diana A1 - Riethmüller, Franziska A1 - Stanik, Eva A1 - Döhring, Thorsten A1 - Hertwig, Andreas A1 - Hülagü, Deniz T1 - Polydopamine -a bionic material and its potential applications for batteries N2 - Polydopamine (PDA) recently came into focus as an innovative material for applications in various technical fields. It is a very strong glue that sticks on almost everything, even under water: In nature, PDA is found in the byssal thread cuticles of mussels. In 2007, Lee et al. first showed that dipping substrates into a solution of dopamine results in the formation of thin PDA films on numerous materials. The simple preparation and the high durability of these coatings have stimulated growing research interest and a wide variety of applications in energy, biomedical and environmental science, and other fields. We have investigated thin layers of PDA with different methods including ellipsometry, tactile measurements of the layer thickness and in situ absorption measurements during the polymerization process. During polymerization the dopamine solution shows a progressive colour change from transparent to brown that has been monitored by spectrometric measurements. The increasing absorption of the cuvette with dopamine solution can be seen in figure 1. The absorption levels off after approximately 2,5 h of polymerization time, thus indicating termination of the primary formation of the PDA film. This data shows that for homogeneous layer growth it is advantageous to interrupt the process after two hours. To generate a higher layer thickness, the samples need to be cleaned and immersed in a fresh dopamine solution subsequently. In addition, ellipsometry measurements on polydopamine layers could determine the corresponding coating thickness as well as its complex refractive index over a broad wavelength range. T2 - Materials Week 2025 CY - Frankfurt am Main, Germany DA - 02.04.2025 KW - Polydopamine KW - Ellipsometry KW - Leyer thickness PY - 2025 AN - OPUS4-63636 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mangarova, Dilyana B. A1 - Kaufmann, Jan O. A1 - Brangsch, Julia A1 - Kader, Avan A1 - Möckel, Jana A1 - Heyl, Jennifer L. A1 - Verlemann, Christine A1 - Adams, Lisa C. A1 - Ludwig, Antje A1 - Reimann, Carolin A1 - Poller, Wolfram C. A1 - Niehaus, Peter A1 - Karst, Uwe A1 - Taupitz, Matthias A1 - Hamm, Bernd A1 - Weller, Michael G. A1 - Makowski, Marcus R. T1 - ADAMTS4-Specific MR Peptide Probe for the Assessment of Atherosclerotic Plaque Burden in a Mouse Model N2 - Introduction Atherosclerosis is the underlying cause of multiple cardiovascular pathologies. The present-day clinical imaging modalities do not offer sufficient information on plaque composition or rupture risk. A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS4) is a strongly upregulated proteoglycan-cleaving enzyme that is specific to cardiovascular diseases, inter alia, atherosclerosis. Materials and Methods Male apolipoprotein E-deficient mice received a high-fat diet for 2 (n = 11) or 4 months (n = 11). Additionally, a group (n = 11) receiving pravastatin by drinking water for 4 months alongside the high-fat diet was examined. The control group (n = 10) consisted of C57BL/6J mice on standard chow. Molecular magnetic resonance imaging was performed prior to and after administration of the gadolinium (Gd)-based ADAMTS4-specific probe, followed by ex vivo analyses of the aortic arch, brachiocephalic arteries, and carotid arteries. A P value <0.05 was considered to indicate a statistically significant difference. Results With advancing atherosclerosis, a significant increase in the contrast-to-noise ratio was measured after intravenous application of the probe (mean precontrast = 2.25; mean postcontrast = 11.47, P < 0.001 in the 4-month group). The pravastatin group presented decreased ADAMTS4 expression. A strong correlation between ADAMTS4 content measured via immunofluorescence staining and an increase in the contrast-to-noise ratio was detected (R2 = 0.69). Microdissection analysis revealed that ADAMTS4 gene expression in the plaque area was significantly greater than that in the arterial wall of a control mouse (P < 0.001). Laser ablation–inductively coupled plasma–mass spectrometry confirmed strong colocalization of areas positive for ADAMTS4 and Gd. Conclusions Magnetic resonance imaging using an ADAMTS4-specific agent is a promising method for characterizing atherosclerotic plaques and could improve plaque assessment in the diagnosis and treatment of atherosclerosis. N2 - Einleitung Atherosklerose ist die Ursache für zahlreiche Herz-Kreislauf-Erkrankungen. Die derzeitigen klinischen Bildgebungsverfahren liefern keine ausreichenden Informationen über die Zusammensetzung von Plaques oder das Risiko einer Ruptur. A Disintegrin and Metalloproteinase with Thrombospondin Motifs 4 (ADAMTS4) ist ein stark hochreguliertes Proteoglykan-spaltendes Enzym, das unter anderem bei Herz-Kreislauf-Erkrankungen wie Atherosklerose spezifisch auftritt. Materialien und Methoden Männliche Apolipoprotein-E-defiziente Mäuse erhielten 2 (n = 11) oder 4 Monate lang (n = 11) eine fettreiche Ernährung. Zusätzlich wurde eine Gruppe (n = 11) untersucht, die 4 Monate lang neben der fettreichen Ernährung Pravastatin über das Trinkwasser erhielt. Die Kontrollgruppe (n = 10) bestand aus C57BL/6J-Mäusen, die mit Standardfutter ernährt wurden. Vor und nach der Verabreichung der gadolinium (Gd)-basierten ADAMTS4-spezifischen Sonde wurde eine molekulare Magnetresonanztomographie durchgeführt, gefolgt von Ex-vivo-Analysen des Aortenbogens, der Arteria brachiocephalica und der Arteria carotis. Ein P-Wert < 0,05 wurde als statistisch signifikanter Unterschied gewertet. Ergebnisse Mit fortschreitender Atherosklerose wurde nach intravenöser Anwendung der Sonde ein signifikanter Anstieg des Kontrast-Rausch-Verhältnisses gemessen (Mittelwert vor Kontrastmittelgabe = 2,25; Mittelwert nach Kontrastmittelgabe = 11,47, P < 0,001 in der 4-Monats-Gruppe). Die Pravastatin-Gruppe zeigte eine verminderte ADAMTS4-Expression. Es wurde eine starke Korrelation zwischen dem mittels Immunfluoreszenzfärbung gemessenen ADAMTS4-Gehalt und einem Anstieg des Kontrast-Rausch-Verhältnisses festgestellt (R2 = 0,69). Die Mikrodissektionsanalyse ergab, dass die ADAMTS4-Genexpression im Plaque-Bereich signifikant höher war als in der Arterienwand einer Kontrollmaus (P < 0,001). Laserablation-induktiv gekoppelte Plasma-Massenspektrometrie bestätigte eine starke Kolokalisierung von ADAMTS4- und Gd-positiven Bereichen. Schlussfolgerungen Die Magnetresonanztomographie mit einem ADAMTS4-spezifischen Kontrastmittel ist eine vielversprechende Methode zur Charakterisierung atherosklerotischer Plaques und könnte die Plaquebewertung in der Diagnose und Behandlung von Atherosklerose verbessern. KW - Peptide Aptamer KW - MRI Probe KW - Magnetic resonance imaging (MRI) KW - Peptide libraries KW - Laser ablation–inductively coupled plasma–mass spectrometry KW - ICP MS KW - Imaging PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635832 DO - https://doi.org/10.1097/RLI.0000000000001152 SN - 1536-0210 VL - 60 IS - 8 SP - 499 EP - 507 PB - Ovid Technologies (Wolters Kluwer Health) CY - Philadelphia, Pennsylvania, USA AN - OPUS4-63583 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nikitin, D. A1 - Biliak, K. A1 - Protsak, M. A1 - Adejube, B. A1 - Ali-Ogly, S. A1 - Škorvanková, K. A1 - Červenková, V. A1 - Katuta, R. A1 - Tosco, M. A1 - Hanuš, J. A1 - Černochová, Z. A1 - Černoch, P. A1 - Štěpánek, P. A1 - Boiko, O. A1 - Szymoniak, Paulina A1 - Schönhals, Andreas A1 - Faupel, F. A1 - Biedermann, H. A1 - Vahl, A. A1 - Choukourov, A. T1 - Unveiling the Fundamental Principles of Reconfigurable Resistance States in Silver/Poly(ethylene glycol) Nanofluids N2 - Developing novel memristive systems aims to implement key principles of biological neuron assemblies – plasticity, adaptivity, and self-organization – into artificial devices for parallel, energy-efficient computing. Solid-state memristive devices, such as crossbar arrays and percolated nanoparticle (NP) networks, already demonstrate these properties. However, closer similarity to neural networks is expected from liquid-state systems, including polymer melts, which remain largely unexplored. Here, the resistive switching in silver/poly(ethylene glycol) (Ag/PEG) nanofluids, prepared by depositing gas-aggregated Ag NPs into PEGs of varying molecular mass, is investigated. These systems form long-range conductive NP bridges with reconfigurable resistance states in response to an electric field. The zeta-potential of Ag NPs and molecular mobility of PEG determine the prevalence of low resistance (ohmic) state, high resistance states (poor conductance) or intermediate transition states governed by space-charge-limited conduction or electron tunneling. The occurrence of these states is given by the interparticle gaps, which are determined by the conformation of PEG molecules adsorbed on the NPs. It is presented, for the first time, an equivalent circuit model for the Ag/PEG system. These findings pave the way to adopt polymer melts as matrices for neuromorphic engineering and bio-inspired electronics. KW - Nanofluids PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-635351 DO - https://doi.org/10.1002/advs.202505103 VL - 12 SP - 1 EP - 14 PB - Wiley AN - OPUS4-63535 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schlögl, Johanna A1 - Krappe, Alexander R. A1 - Fürstenwerth, Paul C. A1 - Brosius, Amelie L. A1 - Fasting, Carlo A1 - Hoffmann, Kurt F. A1 - Resch-Genger, Ute A1 - Eigler, Siegfried A1 - Steinhauer, Simon A1 - Riedel, Sebastian T1 - Luminescent Perhalofluoro Trityl Radicals N2 - In this proof-of-concept study, we show that polyfluorinated trityl radicals with the, to this date, highest fluorination grade can be accessed in quantitative yields in a straightforward manner starting from the perfluorinated trityl cation. The trityl skeleton is functionalized with trimethylsilyl halides to yield perhalofluoro trityl cations, which are subsequently reduced using commercial zinc powder. In this way, we prepare three perhalofluoro trityl radicals and analyze the impact of the fluorine ligands on their electro-optical properties, revealing some interesting trends. In comparison to literature-known polychlorinated trityl radicals, the new polyfluorinated derivatives exhibit substantially higher fluorescence quantum yields, longer luminescence lifetimes, and an expanded emission range that extends into the yellow spectral region. They further display enhanced photostability under light irradiation. In radical-stained polystyrene nanoparticles, an additional broad emission band in the red−NIR wavelength region is observed, which is attributed to excimer formation. Finally, the stability of the new radicals is investigated under ambient conditions, showing the slow conversion with atmospheric oxygen yielding the respective peroxides, which are characterized by single-crystal X-ray diffraction. All in all, our study extends the present scope of luminescent trityl radicals, as the functionalization of the perfluorinated cationic precursor unlocks the path toward a vast variety of polyfluorinated trityl radicals. KW - Dye KW - Fluorescence KW - Radical KW - Synthesis KW - Mechanism KW - Signal enhancement KW - Nano KW - Particle KW - Characterization KW - Quantum yield KW - Photophysics KW - Lifetime KW - Polarity KW - Polymer KW - Solvatchromism KW - Excimer PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647973 DO - https://doi.org/10.1021/jacs.5c16418 SN - 0002-7863 VL - 147 IS - 46 SP - 1 EP - 8 PB - American Chemical Society (ACS) AN - OPUS4-64797 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Resch-Genger, Ute A1 - Abram, Sarah-Luise A1 - Tavernaro, Isabella A1 - Zou, Shan A1 - Johnston, Linda T1 - Behind the Paper: Nanoscale Reference and Test Materials for the Validation of Characterization Methods for Engineered Nanomaterials – Current State, Limitations and Needs N2 - Engineered nanomaterials (NMs) of different material composition, morphology, and surface chemistry are widely used in material and life sciences. For NM quality control and risk assessment, NM key properties must be characterized with validated methods, requiring reference materials (RMs). KW - Engineered Nanomaterials KW - Nanoscale reference materials KW - Interlaboratory comparisons KW - Traceability KW - Standardization and Regulation KW - Nano KW - Particle KW - Quality assurance KW - Surface chemistry PY - 2025 UR - https://communities.springernature.com/posts/nanoscale-reference-and-test-materials-for-the-validation-of-characterization-methods-for-engineered-nanomaterials-current-state-limitations-and-needs SP - 1 EP - 3 PB - Springer Nature CY - Online AN - OPUS4-62572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Haroun, A. A. A. A1 - Derbala, H. A. A1 - Bassioni, G. A1 - Resch-Genger, Ute A1 - Shafik, E. S. A1 - Hassan, A. M. A. T1 - N-aminophthalimide as a novel UV-stabilizer to promote physico-mechanical properties of highdensity polyethylene (HDPE) N2 - This study aimed to evaluate the efficacy of Naminophthalimide (NAP) as a novel UV-stabilizer for highdensity polyethylene (HDPE) in improving its physicomechanical properties under UV exposure. NAP was synthesized by interaction between phthalimide and hydrazine hydrate. It was incorporated into HDPE with different weight ratios (1, 1.5, 2, and 3%), and its performancewas compared with Hostavin as a traditional UV stabilizer. The HDPE composites were exposed to UV irradiation for different periods (7 and 14 days) to evaluate their photodegradation behavior. Tensile strength, elongation at break were assessed before and after UV exposure. Also, oxidation induction time (OIT), melt flow rate (MFR), Vicat softening temperature were evaluated. Hostavin incorporation reduced tensile strength from 22.36 to 20.62MPa at higher concentrations. It has been found that 3% Hostavin, significantly improved elongation at break, increasing from 423% to 1,170%, suggesting enhanced flexibility. In contrast, NAP increased tensile strength to 22.9MPa and moderately enhanced elongation but slightly declined at 3%due to potential over-stabilization. Under UV exposure, retained tensile strength and elongation was improved with stabilizer content, which increasing tensile strength retention. The HDPE that containing NAP showed enhanced UV resistance and superior retention of mechanical properties compared to Hostavin. KW - Polymer KW - Advanced materials KW - Quality assurance KW - Stabilizer KW - Synthesis KW - Physico-mechanical properties PY - 2025 DO - https://doi.org/10.1515/polyeng-2024-0262 SN - 2191-0340 SP - 1 EP - 8 PB - De Gruyter CY - Berlin AN - OPUS4-63534 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Reliable Photoluminescence Quantum Yields – New Reference Materials and Interlaboratory Comparisons N2 - The rational design and choice of molecular and nanoscale reporters, the comparison of different emitter classes, and photophysical and mechanistic studies require quantitative photoluminescence measurements and the reliable determination of the key performance parameter photoluminescence quantum yield (QY), i.e., the number of emitted per absorbed photons. This is of special importance for all photoluminescence applications in the life and material sciences in the UV/vis/NIR/SWIR. To improve the reliability and comparability of photoluminescence and QY measurements across laboratories, pitfalls, achievable uncertainties, and material-specific effects related to certain emitter classes must be explored. Also, suitable protocols and reference materials are needed which have been validated in interlaboratory comparisons for different wavelength regions and transparent and scattering luminophores.[1] Based on absolute and relative photoluminescence measurements of functional dyes and luminescent nanomaterials, reliable methods for determining QY of transparent and scattering luminophores, nonlinear emitters, and solid luminescent nanomaterials have been developed.[1-4] Thereby, material- and method-related uncertainties of relative and absolute QY measurements and achievable uncertainties could be quantified for linear and nonlinear UV/vis/NIR/SWIR emitters and lately for also luminescent and scattering materials and solid phoshors. In this context, we present the development and certification of a first set of UV/vis/NIR quantum yield standards with a complete uncertainty budget,[5] which present simple tools for a better comparability of QY measurements. In addition, a first interlaboratory comparison of absolute QY measurements of solid and scattering LED converter materials with integrating sphere spectroscopy has been performed.[5] The outcome of this study is presented, thereby addressing common pitfalls and measurement uncertainties and providing recommendations for the performance of reliable QY measurements of linear and non-linear emitters in transparent, scattering, and solid samples. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Quality assurance KW - Reference material KW - Method KW - Fluorescence KW - Quantum yield KW - Absolute KW - Integrating sphere spectroscopy KW - Interlaboratory comparison KW - Dye KW - Film KW - Nano KW - Particle KW - Scattering KW - Uncertainty KW - LED converter PY - 2025 AN - OPUS4-62792 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Osiopova, Viktoriia A1 - Tavernaro, Isabella A1 - Ge, L. A1 - Kitzmann, W. R. A1 - Heinze, K. A1 - Reithofer, M. R. A1 - Resch-Genger, Ute T1 - Complete protection of NIR-luminescent molecular rubies from oxygen quenching in air by L-arginine-mediated silica nanoparticles N2 - The application of emerging luminophores such as near-infrared (NIR) emissive complexes based on earth-abundant chromium as central ion and triplet-triplet annihilation upconversion (TTA-UC) systems in air as optical reporters for bioimaging or photonic materials for energy conversion requires simple and efficient strategies for their complete protection from uminescence quenching by oxygen. Therefore, we explored the influence of sol–gel synthesis routes on the oxygen protection efficiency of the resulting core and core/shell silica nanoparticles (SiO2 NPs), utilizing the molecular ruby-type luminophores CrPF6 ([Cr(ddpd)2](PF6)3; ddpd = N,N'-dimethyl-N,N'-dipyridin-2-ylpyridin-2,6-diamine) and CrBF4 ([Cr(ddpd)2](BF4)3) with their oxygendependent, but polarity-, proticity-, viscosity-, and concentration-independent luminescence as optical probes for oxygen permeability. The sol–gel chemistry routes we assessed include the classical Stöber method and the underexplored Larginine approach, which relies on the controlled hydrolysis of tetraethoxysilane (TEOS) in a biphasic cyclohexane/water system with the catalyst L-arginine. As demonstrated by luminescence measurements of air- and argon-saturated dispersions of CrPF6- and CrBF4-stained SiO2 NPs of different size and particle architecture, utilizing the luminescence decay kinetics of argon-saturated solutions of CrPF6 and CrBF4 in acetonitrile (ACN) as benchmarks, only SiO2 NPs or shells synthesized by the L-arginine approach provided complete oxygen protection of the CrIII complexes under ambient conditions. We ascribe the different oxygen shielding efficiencies of the silica networks explored to differences in density and surface chemistry of the resulting nanomaterials and coatings, leading to different oxygen permeabilities. Our Larginine based silica encapsulation strategy can open the door for the efficient usage of oxygen-sensitive luminophores and TTA-UC systems as optical reporters and spectral shifters in air in the future. KW - Quality assurance KW - Fluorescence KW - Quantification KW - Advanced materials KW - Nano KW - Quantum yield KW - NIR KW - Characterization KW - Electron microscopy KW - Silica KW - Synthesis KW - Oxygen sensing KW - Surface KW - Doping KW - Lifetime KW - Cr(III) complex KW - Shielding KW - Sensing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638271 DO - https://doi.org/10.26599/NR.2025.94907241 SN - 1998-0000 VL - 18 IS - 3 SP - 1 EP - 13 PB - SciOpen AN - OPUS4-63827 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Reliable measurements of the photoluminescence quantum yield of transparent and scattering luminophores N2 - Optical measurements of transparent solutions of organic dyes and semiconductor quantum dots and scattering materials such as luminescent nanocomposites and microparticles and phosphors dispersed in liquid and solid matrices play an important role in energy conversion, solid-state lighting, medical diagnostics, and security barcoding. A key performance parameter is the photoluminescence quantum yield QY, i.e., the number of emitted per number of absorbed photons. QY of transparent luminophore solutions can be obtained relative to a fluorescence QY standard of known QY.[1] Meanwhile, a first set of certified fluorescence QY standards is available.[2] Such relative QY measurements require a calibrated spectrofluorometer.[1,3] For determining QY of scattering liquid and solid samples, absolute measurements of QY with a calibrated integrating sphere setup are mandatory.[1,4,5] However, scattering QY standards are not available and uncertainties of such measurements have not yet been assessed in interlaboratory comparisons (ILCs). To determine typical sources of uncertainty of absolute QY measurements, we assessed the influence of the measurement geometry and the optical properties of the blank for determining the number of incident photons absorbed by the sample in an ILC using commercial integrating sphere setups and a custom-designed integrating sphere setup. Samples examined included transparent and scattering dye solutions, solid phosphors such as YAG:Ce optoceramics used as LED converter material, and polymer films stained with different amounts of phosphor microparticles. Matching QY values could be obtained for transparent dye solutions and scattering dispersions with a blank with scattering properties closely matching those of the sample, while QY measurements of optoceramic samples with different blanks revealed substantial differences of more than 20 %. Based on our data, we recommend non-absorbing blank materials with a high reflectivity (>95 %) such as a 2 mm-thick PTFE target placed on the sample holder as blanks. T2 - eMRS 2025 Fall Meeting CY - Warsaw, Poland DA - 15.09.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Advanced material KW - Synthesis KW - Characterization KW - Fluorescence quantum yield KW - Phosphor KW - Absolute KW - Integrating sphere spectroscopy KW - Dye KW - Standardization KW - Reference material KW - Interlaboratory comparison KW - Uncertainty PY - 2025 AN - OPUS4-64184 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Soyka, J. P. A1 - Witte, J. F. A1 - Wiesner, A. A1 - Krappe, A. R. A1 - Wehner, D. A1 - Alnicola, N. A1 - Paulus, B. A1 - Resch-Genger, Ute A1 - Eigler, S. T1 - [3]Radialene Fluorophores with pH-Switchable Emission and Stable Absorption Maxima N2 - The first push–pull quino [3]radialene fluorescent dye is reported. Herein, the novel bis(dicyanomethylene)-[3]radialene electron acceptor is connected to a benzimidazole donor. With protonation, a substantial redshift of fluorescence wavelength is observed, while the absorption maximum remains stable. This process is accompanied with an increased fluorescence quantum yield to about 70%. Further, the findings are explained by a combined experimental and theoretical approach, and it is found that vibronic coupling plays a crucial role. This study highlights the yet unexplored potential of [3]radialene-based motifs for the design of environment-responsive fluorophores. KW - DADQ KW - Nanographene KW - fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Quantum yield KW - Photophysic KW - pH KW - Probe KW - Sensor KW - Lifetime KW - Polarity PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642147 DO - https://doi.org/10.1002/ejoc.202500669 SN - 1099-0690 SP - 1 EP - 6 PB - Wiley-VCH CY - Weinheim AN - OPUS4-64214 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weinel, Kristina A1 - Hahn, Marc Benjamin A1 - Lubk, Axel A1 - González Martínez, Ignacio Guillermo A1 - Büchner, Bernd A1 - Agudo Jácome, Leonardo T1 - Nanoparticle Synthesis by Precursor Irradiation with Low-Energy Electrons N2 - Nanoparticles (NPs) and their fabrication routes are intensely studied for their wide range of application in optics, chemistry, and medicine. Γ-ray and ion irradiation of precursor matter are established methods that facilitate tailored NP synthesis without complicated chemistry. Here, we develop and explore NP synthesis based on irradiating precursor microparticles with low-energy electron beams. We specifically demonstrate the fabrication of plasmonic gold nanoparticles of sizes between 3 and 350 nm on an amorphous SiOx substrate using a 30 kV electron beam. By detailed comparison with electron scattering simulations and thermodynamic modeling, we reveal the dominant role of inelastic electron–matter interaction and subsequent localized heating for the observed vaporization of the precursor gold microparticles. This general principle suggests the suitability of electron-beam irradiation for synthesizing NPs of a wide class of materials. KW - Gold Nanoparticle KW - Scanning Electron Microscopy KW - In situ irradiation KW - Thermodynamic modelling KW - Heat Transfer PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627609 DO - https://doi.org/10.1021/acsanm.4c06033 SN - 2574-0970 VL - 8 IS - 10 SP - 4980 EP - 4988 PB - ACS Publications CY - Washington, DC AN - OPUS4-62760 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Feng, Wen A1 - Schulz, Johannes A1 - Wolf, Daniel A1 - Pylypenko, Sergii A1 - Gemming, Thomas A1 - Weinel, Kristina A1 - Agudo Jácome, Leonardo A1 - Büchner, Bernd A1 - Lubk, Axel T1 - Secondary electron emission from gold microparticles in a transmission electron microscope: comparison of Monte Carlo simulations with experimental results N2 - We measure the electron beam-induced current to analyze the electron-induced secondary electron (SE) emission from micron-sized gold particles illuminated by 80 and 300 keV electrons in a transmission electron microscope. A direct comparison of the experimental and simulated SE emission (SEE) employing Monte Carlo scattering simulations based on the GEANT4 toolkit yields overall good agreement with a noticeable discrepancy arising from the shortcoming of the GEANT4 scattering cross sections in the low-loss regime. Thus, the electron beam-induced current analysis allows to quantify the inelastic scattering including SEE in the transmission electron microscope and provides further insight into the charging mechanisms. KW - Electron beam-induced current KW - Transmission electron microscopy KW - Secondary electron emission KW - Secondary electron yield KW - Gold micronoparticle PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-622557 DO - https://doi.org/10.1088/1361-6463/ad9840 VL - 58 IS - 8 SP - 1 EP - 7 PB - IOP Publishing CY - Bristol, GB AN - OPUS4-62255 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Agudo Jácome, Leonardo T1 - In situ electron-beam 'melting' (sublimation) of gold microparticles in the SEM N2 - Gold micro particles have been modified in the past using the high power density of a localized electron beam of acceleration voltages above 100 kV as an energy source to transform matter at the sub-micron scale in a transmission electron microscope uses. Here, the e-beam-induced transformation of precursor microparticles employing a low-energy e-beam with an acceleration voltage of 30 kV in a scanning electron microscope is implemented. Under these conditions, the technique can be classified between e-beam lithography, where the e-beam is used to mill holes in or grow some different material onto a substrate, and e-beam welding, where matter can be welded together when overcoming the melting phase. Modifying gold microparticles on an amorphous SiOx substrate reveals the dominant role of inelastic electron-matter interaction and subsequent localized heating for the observed melting and vaporization of the precursor microparticles under the electron beam. Monte-Carlo scattering simulations and thermodynamic modeling further support the findings. T2 - IKZ International Fellowship Award & Summer School 2025 from May 5 to 7, 2025 CY - Berlin, Germany DA - 05.05.2025 KW - Gold Nanoparticle KW - Scanning Electron Microscopy KW - In situ irradiation KW - Thermodynamic modelling KW - Heat Transfer PY - 2025 AN - OPUS4-63256 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Andresen, Elina T1 - Towards Development of Reference Test Materials for Metrology in Nanomedicine N2 - The EPM-project “MetrINo” responds to the immediate metrological needs expressed by industry, regulators and policy makers for the development and validation of traceable measurement methods and reference materials (RMs) candidates for the assessment of CQAs of nanotherapeutics. The conference talk focuses on the preparation, homogeneity and stability studies of iron oxide and multi-element nanoparticles as candidate reference materials for size measurements. The developed materials aim to support the development and harmonization of traceable methodologies for nanoparticle characterization. T2 - NME 2025 CY - Barcelona, Spain DA - 27.05.2025 KW - IONPs KW - Reference materials KW - Lanthanide-based upconverting nanoparticles PY - 2025 AN - OPUS4-63905 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abram, Sarah-Luise A1 - Tavernaro, Isabella A1 - Resch-Genger, Ute A1 - Johnston, L. J. A1 - Zou, S. T1 - Nanoscale reference and test materials for the validation of characterization methods for engineered nanomaterials — current state, limitations, and needs N2 - The rational design of engineered nanomaterials (NMs) with improved functionality and their increasing industrial application requires reliable, validated, and ultimately standardized characterization methods for their application-relevant, physicochemical key properties such as size, size distribution, shape, or surface chemistry. This calls for nanoscale (certified) reference materials (CRMs; RMs) and well-characterized reference test materials (RTMs) termed also quality control (QC) samples, assessed, e.g., in interlaboratory comparisons, for the validation and standardization of commonly used characterization methods. Thereby, increasing concerns regarding potential risks of NMs are also addressed and the road for safe and sustainable-by-design concepts for the development of new functional NMs and their use as nanomedicines is paved. With this respect, we will provide an overview of relevant international standardization and regulatory activities, definitions, and recommendations on characterization methods and review currently available organic or inorganic nanoscale CRMs, RMs, and RTMs, including their characterization or certification. In addition, we will highlight typical applications to streamline the regulatory approval process and improve manufacturability including the special challenges imposed by the colloidal nature and sometimes limited stability of NMs. Subsequently, we will critically assess the limitations of currently available nanoscale RMs and RTMs and address the gaps to be filled in the future such as the availability of NMs that come with reference data on properties other than commonly addressed particle size, such as surface chemistry or particle number concentration, or more closely resemble commercially available formulations or address application-relevant matrices. KW - Nano KW - Particle KW - Silica KW - Quality assurance KW - Reference material KW - Review KW - Surface chemistry KW - Size KW - Shape KW - Particle number concentration KW - Lipid nanoparticles KW - Metal nanoparticles KW - Liposomes PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625746 DO - https://doi.org/10.1007/s00216-024-05719-6 SN - 1618-2650 SP - 1 EP - 21 PB - Springer AN - OPUS4-62574 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Career Options in Public Service N2 - In the following, an overview of possible career options for chemists is presented covering metrology institutes, departmental research institutes of ministries, Federal and state research institutes and options in areas such as Federal or state institutions in charge of occupational safety, the German armed forces, wastewater treatment plants and labs/institutes controlling water quality, and museums. Thereby also examples and personal insights of the daily work routine are provided for some employers. T2 - Career-Workshop ChiÖD CY - Karlsruhe, Germany DA - 02.04.2025 KW - Quality assurance KW - Reference analysis KW - Standardization KW - Metrology KW - Reference products KW - Reference materials KW - Mission PY - 2025 AN - OPUS4-62867 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - From molecular and nanoscale chromophores with UV/VIS/NIR/SWIR luminescence to multi method characterization of surface coatings N2 - An overview of the research activities of division Biophotonics is presented covering examples for photophysical studies of different types of molecular and nanocrystalline luminophores, luminescent particles, and sensor systems in solution, in dispersion, and in the solid state and multi-method charactreization workflow for the characterization of surface-functionalized engineered nanomaterials. In addition, the importance of reliable optical measurements, particularly standardized workflows for the determination of the key performance parameter luminescence quantum yield of transparent and scattering luminescent samples with fluorescence and integrating sphere spectroscopy, and validated methods for quantifying surface functional groups and ligands on nanomaterials is highlighted. Thereby, also ongoing standardization activities are presented as well as certified reference materials and reference materials from division Biophotonics. T2 - Chinese-German Chemical Association - Annual Meeting CY - Berlin, Germany DA - 22.08.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Quantum yield KW - Characterization KW - Advanced material KW - Surface KW - Lifetime KW - Sensor KW - Oxygen KW - Ph KW - Standardization KW - Fluorescent probe KW - Reference material PY - 2025 AN - OPUS4-64181 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tavernaro, Isabella A1 - Sander, P. C. A1 - Andresen, Elina A1 - Schedler, U. A1 - Resch-Genger, Ute T1 - Expanding the Toolbox of Simple, Cost-Efficient, and Automatable Methods for Quantifying Surface Functional Groups on Nanoparticles� Potentiometric Titration N2 - Measuring surface functional groups (FGs) on nanomaterials (NMs) is essential for designing dispersible and stable NMs with tailored and predictable functionality. FG screening and quantification also plays a critical role for subsequent processing steps, NM long-term stability, quality control of NM production, and risk assessment studies and enables the implementation of sustainable and safe(r)-by-design concepts. This calls for simple and cost-efficient methods for broadly utilized FGs that can be ideally automated to speed up FG screening, monitoring, and quantification. To expand our NM surface analysis toolbox, focusing on simple methods and broadly available, cost-efficient instrumentation, we explored a NM-adapted pH titration method with potentiometric and optical readout for measuring the total number of (de)protonable FGs on representatively chosen commercial and custom-made aminated silica nanoparticles (SiO2 NPs). The accuracy and robustness of our stepwise optimized workflows was assessed by several operators in two laboratories and method validation was done by cross-comparison with two analytical methods relying on different signal generation principles. This included traceable, chemo-selective quantitative nuclear magnetic resonance spectroscopy (qNMR) and thermogravimetric analysis (TGA), providing the amounts of amino silanes released by particle dissolution and the total mass of the surface coatings. A comparison of the potentiometric titration results with the reporter-specific amounts of surface amino FGs determined with the previously automated fluorescamine (Fluram) assay highlights the importance of determining both quantities for surface-functionalized NMs. In the future, combined NM surface analysis with optical assays and pH titration will simplify quality control of NM production processes and stability studies and can yield large data sets for NM grouping that facilitates further developments in regulation and standardization. KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Surface KW - Standardization KW - Reference material KW - Functional group KW - Quantification KW - Coating KW - Automation KW - Potentiometry KW - Method KW - Validation KW - Optical assay KW - Fluram KW - Fluorescamine KW - qNMR KW - Comparison KW - ILC PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642371 DO - https://doi.org/10.1021/acsmeasuresciau.5c00062 SN - 2694-250X SP - 1 EP - 13 PB - American Chemical Society CY - Washington, DC AN - OPUS4-64237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stiegler, L. M. S. A1 - Wegner, Karl David A1 - Weigert, Florian A1 - Peukert, W. A1 - Resch-Genger, Ute A1 - Walter, J. T1 - Analysis of Giant-Shell CdSe/CdS Quantum Dots via Analytical Ultracentrifugation Combined with Spectrally Resolved Photoluminescence N2 - Knowledge of the structure–property relationships of functional nanomaterials, including, for example, their size- and composition-dependent photoluminescence (PL) and particle-to-particle variations, is crucial for their design and reproducibility. Herein, the Angstrom-resolution capability of an analytical ultracentrifuge combined with an in-line multiwavelength emission detection system (MWE-AUC) for measuring the sedimentation coefficient-resolved spectrally corrected PL spectra of dispersed nanoparticles is demonstrated. The capabilities of this technique are shown for giant-shell CdSe/CdS quantum dots (g-QDs) with a PL quantum yield (PL QY) close to unity capped with oleic acid and oleylamine ligands. The MWE-AUC PL measurements are calibrated and validated with certified fluorescence standards. The spectrally corrected and size-dependent PL spectra of the g-QDs derived from a single MWE-AUC experiment are then analyzed and compared with the results of single-particle spectroscopic studies, yielding the PL spectra, decay kinetics, and blinking behavior of individual g-QDs. This study underlines the vast potential of MWE-AUC with in-line optical detection for the characterization of advanced nanomaterials with a complex structure. KW - Quantum dots KW - Analytical ultracentrifugation KW - Photoluminescence KW - Advanced nanomaterial characterization KW - Calibrated fluorescence measurements KW - Reference materials PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624357 DO - https://doi.org/10.1002/smtd.202401700 SN - 2366-9608 SP - 1 EP - 7 PB - Wiley VHC-Verlag AN - OPUS4-62435 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Richter, Maria A1 - Güttler, Arne A1 - Pauli, Jutta A1 - Vogel, K. A1 - Homann, Christian A1 - Würth, Christian A1 - Resch-Genger, Ute T1 - Extending certified spectral fluorescence standards for the calibration and performance validation of fluorescence instruments to the NIR—closing the gap from 750 to 940 nm with two novel NIR dyes N2 - Fluorescence techniques such as fluorescence spectroscopy, microfluorometry, and fluorescence microscopy, providing spectral, intensity, polarization, and lifetime information, are amongst the most broadly utilized analytical methods in the life and materials sciences. However, the measured fluorescence data contain sample- and instrument-specific contributions, which hamper their comparability across instruments and laboratories. Comparable, instrument-independent fluorescence data require the determination of the fluorescence instrument’s wavelength-dependent spectral responsivity, also termed emission correction curve, for the same instrument settings as those used for the fluorescence measurements as a prerequisite for the subsequent correction of the measured instrument-specific data. Such a spectral correction is essential for the performance comparison of different fluorescent labels and reporters, quantitative fluorescence measurements, the determination of the fluorescence quantum yield, and the spectroscopic measure for the fluorescence efficiency of a fluorophore. Simple-to-use tools for obtaining emission correction curves are chromophore-based reference materials (RMs), referred to as fluorescence standards, with precisely known, preferably certified instrument-independent fluorescence spectra. However, for the increasingly used near-infrared (NIR) wavelength region >700 nm, at present, no spectral fluorescence standards are available. To close this gap, we developed two novel spectral fluorescence standards, BAM F007 and BAM-F009, with broad emission bands from about 580 to 940 nm in ethanolic solution. These liquid fluorescence standards currently under certification, which will be released in 2025, will expand the wavelength range of the already available certified Calibration Kit BAM F001b-F005b from about 300–730 to 940 nm. In this research article, we will detail the criteria utilized for dye and matrix selection and the homogeneity and stability tests accompanying dye certification as well as the calculation of the wavelength-dependent uncertainty budgets of the emission spectra BAM F007 and BAM-F009, determined with the traceably calibrated BAM reference spectrofluorometer. These fluorescence standards can provide the basis for comparable fluorescence measurements in the ultraviolet, visible, and NIR for the fluorescence community. KW - Quality assurance KW - Reference material KW - Fluorescence KW - Dye KW - Traceability KW - Metrology KW - Calibration KW - Reference data KW - Reference product KW - Digital certificate KW - NIR KW - Instrument performance validation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626317 DO - https://doi.org/10.1007/s00216-024-05723-w SN - 1618-2650 SP - 1 EP - 15 PB - Springer AN - OPUS4-62631 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Molecular and nanoscale emitters photophysics , photoluminescence quantum yields, and surface chemistry N2 - Inorganic nanocrystals such as spectrally shifting lanthanide-based nanoparticles (LnNCs) like NaYF4: Yb, Er and semiconductor quantum dots, organic and inorganic particles stained with sensor molecules, and organic dyes showing aggregation-induced emission are meanwhile broadly applied in the life and material sciences. The identification of optimum particle architectures and molecular structures for photonic applications requires quantitative spectroscopic studies and methods to control and analyse particle surface chemistry. In the following, photoluminescence studies of different emitter classes are presented, thereby addressing the measurement of particle brightness and photoluminescence quantum yields in different spectral windows parameters required for an in-depth mechanistic understanding. In addition, examples for the quantification of surface functional groups on nanomaterials with optical spectroscopy are given. T2 - GdCH Kolloquium CY - Düsseldorf, Germany DA - 11.11.2025 KW - Dye KW - Fluorescence KW - Quantum yield KW - Lifetime KW - Sensor materials KW - Temperature KW - Cr(III) complex KW - Nano KW - Particle KW - Silica KW - Polymer KW - Metrology KW - Quality assurance KW - Reference material KW - Surface chemistry KW - Size KW - Shape KW - Particle number concentration KW - Method KW - Optical assay KW - qNMR KW - Validation KW - Potentiometry KW - XPS PY - 2025 AN - OPUS4-64728 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tavernaro, Isabella A1 - Sander, P. A1 - Andresen, Elina A1 - Schedler, U. A1 - Resch-Genger, Ute T1 - Potentiometric and Optical Titration for Cost- Efficient Quantification of Surface Functional Groups on Silica Nanoparticles N2 - Surface chemistry of engineered nanomaterials (NMs) plays a critical role not only in determining their interactions with the environment but also in their stability, safety, and functionality across diverse applications ranging from catalysis to biomedicine. Accurate quantification of surface functional groups (FGs) is therefore essential for quality control, risk assessment, and performance optimization.[1] However, many existing analytical techniques are either cost-intensive, require specialized instrumentation, or lack scalability for routine use. In this study, we present a comparative evaluation of potentiometric and optical titration as two simple, cost-efficient, and automatable methods for quantifying surface functional groups on a variety of surface-modified silica nanoparticles (SiO₂ NPs). These NPs were chosen as they are among the most frequently utilized engineered NMs in the life and material sciences. Potentiometric titration, based on pH monitoring during acid-base neutralization, offers a direct and label-free approach to determine the total amount of FGs. Optical titration provides a complementary method with potential for high-throughput screening. To examine the accuracy and robustness of our stepwise-optimized workflows and the achievable relative standard deviations (RSDs), measurements were performed by multiple operators in two laboratories. Method validation was conducted through cross-comparison with traceable, chemo-selective quantitative nuclear magnetic resonance spectroscopy (qNMR) and thermogravimetric analysis (TGA). A comparison with optical assays highlights the importance of measuring both quantities for comprehensive characterization of surface-modified NMs.[2] A combined NM surface analysis using optical assays and pH titration will simplify quality control of NM production processes and stability studies, and can yield large datasets for NM grouping in sustainable and safe(r)-by-design studies. T2 - eMRS Fall Meeting 2025 CY - Warsaw, Poland DA - 15.09.2025 KW - Fluorescence KW - Advanced material KW - Synthesis KW - Characterization KW - Nano KW - Particle KW - Silica KW - Surface analysis KW - Validation KW - qNMR KW - Fluram assay KW - Functional group KW - Quantification KW - Potentiometry KW - Amino groups KW - Fluorescamine KW - Calibration KW - Method comparison PY - 2025 AN - OPUS4-64205 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Quantifying functional groups and coatings on nanoobjects N2 - Engineered nanomaterials (NM) of different size, shape, chemical composition, and surface chemistry are increasingly used for many key technologies of the 21st century and consumer products. This includes polymer and silica or silica-coated nanoparticles (NP) with covalently bound surface groups, semiconductor quantum dots (QD), metal and metal oxide NP, and lanthanide NP with coordinatively or electrostatically bound ligands, as well as surface-coated nanostructures like micellar encapsulated NP. Decisive for most applications of NMs are their specific surface properties, which are largely determined by the chemical nature and amounts of ligands and functional groups (FGs) on the NM surface. The surface chemistry can strongly affect the physicochemical properties of NM, their charge, hydrophilicity/hydrophobicity, reactivity, function, stability, and processability and thereby their impact on human health and environment. Knowledge of NM surface chemistry plays an important role for NM functionality and performance in (bio)applications and the fate, exposure, dissolution, transformation, and accumulation of NM, and thus, the potential risks for human health and the environment. This highlights the importance of reliable, validated, and eventually standardized analytical methods for analyzing and quantifying NM surface chemistry for process and quality control of NM production, safe use of NMs, design of novel NM, and sustainable concepts for NM fabrication.[1-3] In this context, interlaboratory comparisons (ILCs) are needed to assess method reliability and reference materials with known surface chemistries for establishing surface analytical methods and their performance validation.[2,4] Also, to respond to the increasing number of samples to be analyzed, cost-efficient automation concepts for surface analysis are needed that can be realized with affordable and preferably commercial instrumentation.[5] Here, we provide an overview of analytical methods for FG analysis and quantification used by us for quantifying broadly utilized FGs and ligands on different types of NMs with electrochemical titration methods, optical assays, nuclear magnetic resonance (NMR) and vibrational (IR) spectroscopy, and X-ray based and thermal analysis methods.[1,2] Thereby, method- and material-related challenges are addressed, and the importance of multi-method characterization approaches easing method validation by method cross-validation. Special emphasis is dedicated to simple, versatile, and cost-efficient methods such as optical assays and electrochemical titration methods. T2 - eMRS Fall Meeting 2025 CY - Warsaw, Poland DA - 15.09.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Surface KW - Standardization KW - Reference material KW - Functional group KW - Quantification KW - Coating KW - Interlaboratory comparison KW - Uncertainty PY - 2025 AN - OPUS4-64183 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Assessing different types of silica networks for the complete protection of nir luminescent molecular rubies from oxygen quenching in air N2 - The application of emerging luminophores such as near-infrared (NIR) emissive earth-abundant chromium(III) (CrIII) complexes and triplet-triplet annihilation upconversion (TTA-UC) systems in air as optical reporters for bioimaging or photonic materials for energy conversion requires simple and efficient strategies for their complete protection from luminescence quenching by oxygen. Therefore, we explored the influence of sol-gel synthesis routes on the oxygen protection efficiency of the resulting core and core/shell silica nanoparticles (SiO2 NPs), utilizing the molecular ruby-type luminophores CrPF6 ([Cr(ddpd)2](PF6)3; ddpd = N,N’-dimethyl- N,N’-dipyridin-2-ylpyridin-2,6-diamine) and CrBF4 ([Cr(ddpd)2](BF4)3) with their oxygen-dependent, but polarity-, proticity-, viscosity-, and concentration-independent luminescence as optical probes for oxygen permeability. The sol-gel chemistry routes we assessed include the classical Stöber method and the underexplored larginine approach, which relies on the controlled hydrolysis of tetraethoxysilane (TEOS) in a biphasic cyclohexane/water system with the catalyst l-arginine. As demonstrated by luminescence measurements of air- and argon-saturated dispersions of CrPF6- and CrBF4-stained SiO2 NPs of different size and particle architecture, utilizing the luminescence decay kinetics of argon-saturated solutions of CrPF6 and CrBF4 in acetonitrile (ACN) as benchmarks, only SiO2 NPs or shells synthesized by the l-arginine approach provided complete oxygen protection of the CrIII complexes under ambient conditions. We ascribe the different oxygen shielding efficiencies of the silica networks explored to differences in density and surface chemistry of the resulting nanomaterials and coatings, leading to different oxygen permeabilities. Our l-arginine based silica encapsulation strategy can open the door for the efficient usage of oxygen-sensitive luminophores and TTA-UC systems as optical reporters and spectral shifters in air in the future. T2 - eMRS Strasbourg CY - Strasbourg, France DA - 26.05.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Quantum yield KW - NIR KW - Mechanism KW - Characterization KW - Electron microscopy KW - Silica KW - Oxygen sensing KW - Surface KW - Doping KW - Lifetime KW - Cr(III) complex PY - 2025 AN - OPUS4-63300 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Frenzel, F. A1 - Fiedler, S. A1 - Bardan, A. A1 - Güttler, Arne A1 - Würth, Christian A1 - Resch-Genger, Ute T1 - Influence of Measurement Geometry and Blank on Absolute Measurements of Photoluminescence Quantum Yields of Scattering Luminescent Films N2 - For a series of 500 μm-thick polyurethane films containing different concentrations of luminescent and scattering YAG:Ce microparticles, we systematically explored and quantified pitfalls of absolute measurements of photoluminescence quantum yields (Φf) for often employed integrating sphere (IS) geometries, where the sample is placed either on a sample holder at the bottom of the IS surface or mounted in the IS center. Thereby, the influence of detection and illumination geometry and sample position was examined using blanks with various scattering properties for measuring the number of photons absorbed by the sample. Our results reveal that (i) setup configurations where the scattering sample is mounted in the IS center and (ii) transparent blanks can introduce systematic errors in absolute Φf measurements. For strongly scattering, luminescent samples, this can result in either an under- or overestimation of the absorbed photon flux and hence an under- or overestimation of Φf. The size of these uncertainties depends on the scattering properties of the sample and instrument parameters, such as sample position, IS size, wavelength-dependent reflectivity of the IS surface coating, and port configuration. For accurate and reliable absolute Φf measurements, we recommend (i) a blank with scattering properties closely matching those of the sample to realize similar distributions of the diffusely scattered excitation photons within the IS, and (ii) a sufficiently high sample absorption at the excitation wavelength. For IS setups with center-mounted samples, measurement geometries should be utilized that prevent the loss of excitation photons by reflections from the sample out of the IS. KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Quantum yield KW - Characterization KW - Silica KW - Scattering KW - Uncertainty KW - Film KW - Pphosphor KW - YAG:Ce KW - LED KW - Converter material KW - Solid material KW - Polymer KW - Composite material KW - Advanced material PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638304 DO - https://doi.org/10.1021/acs.analchem.4c06726 SN - 1520-6882 SP - 1 EP - 8 PB - ACS Publications AN - OPUS4-63830 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Güttler, Arne T1 - Certified Reference Materials for the Quantification and Standardization of Fluorescence-based Measurements N2 - The size and shape of photoluminescence signals is affected by wavelength-, polarization-, and time-dependent instrumentspecific contributions and the compound- and environment-specific photoluminescence quantum yield. The former hamper the comparability of fluorescence measurements performed on different measuring devices. The commonly relatively done determination of the performance parameter requires suitable quantum yield standards with well-known. The performance of such measurements is, e.g., described in the written standard IEC 62607 currently revised. T2 - Colloquium für Optische Spektrometrie 2025 CY - Jena, Germany DA - 24.09.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Advanced material KW - Calibration KW - Characterization KW - Fluorescence quantum yield KW - Phosphor KW - Absolute KW - Integrating sphere spectroscopy KW - Dye KW - Standardization KW - Reference material KW - Interlaboratory comparison KW - Uncertainty PY - 2025 AN - OPUS4-64213 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Oskoei, Parastu T1 - Thermoresponsive UCNP@MSN Nanoparticles for Doxorubicin Delivery in Melanoma Cells N2 - Upconversion nanoparticles (UCNPs) possess unique photophysical characteristics, such as excita bility by near infrared (NIR) light, which facilitates deep tissue penetration, multi color emission , long luminescence lifetimes, and an excellent photostability. These features have made UCNPs promising tools for biomedical applications . M esoporous silica nanoparticles (MSNs) functionalized with stimuli responsive nanovalves or specific coatings enable the encapsulation and controlled release of therapeutic agen ts, thereby offering spatiotemporal precision in drug delivery 1 3 ]]. Among drug delivery strategies, photoresponsive systems have attracted growing attention due to their potential for clinical applications . This is especially relevant for melanoma, an aggressive skin cancer with increasing global incidence, for which conventional therapeutic modalities remain largely insufficient in advanced stage 4 In this work, core shell UCNP@MSN nanoparticles were synthetised by coating UCNPs with a mesoporous silica layer, which was subsequently functionalized with thermoresponsive retro Diels Alder nanovalves [ and loaded with the chemotherapeutic agent doxorubicin (DOX). Controlled drug release was effectively achieved under 980 nm NIR i llumination . Treatment with functionalized nanoparticles significantly reduced the viability of melanoma cell lines, with an enhanced cytotoxicity being observed upon combined nanoparticle exposure and NIR illumination . Mechanistic analyses revealed that neither UCNPs nor NIR i llumination alone could induce the production of reactive oxygen species (ROS); however, their combination induced a marked increase in ROS levels in two of the three tested cell lines. Furthermore, this dual treatment promoted substantial apoptotic and/or necrotic responses across all cell models. These findings underscore the potential of UCNP@MSN nanoplatforms, equipped with thermoresponsive ga tes , as efficient photoactivated drug delivery systems for melanoma therapy. T2 - Conference Jornadas CICECO CY - Aveiro, Portugal DA - 09.10.2025 KW - Nano KW - Particle KW - Lanthanide KW - Upconversion KW - Surface chemistry KW - Mesoporous silica KW - Doxorubicin KW - Nanomedicine KW - Triggered release KW - pH KW - Cellular uptake KW - Toxicity KW - Folate KW - Ligand PY - 2025 AN - OPUS4-64371 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Quantifying the total and accessible amount of surface functionalities and ligands on nanomaterials N2 - Engineered nanomaterials (NMs) of various chemical composition and surface functionalization are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage. NM dispersibility, stability, processability, and function as well as the interaction with biological species and environmental fate are largely determined by NM surface functionalities, i.e., functional groups (FGs) and ligands. Therefore, reliable, reproducible, and eventually standardized surface characterization methods are vital for quality control of NMs, and mandatory to meet increasing concerns regarding their safety. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR) as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods.[1] The latter less costly and fast methods, which can be automated, are often used by NM producers for process and quality control.[1,2] To validate methods, establish measurement uncertain-ties, test reference materials, and produce reference data, multi-method characterization studies are needed.[3,4] as well as interlaboratory comparisons (ILC) on determining NM surface chemistry and well characterized test and reference NMs providing benchmark values.[5,6] Here, we present examples for quantifying common surface FGs such as amino and carboxyl groups on functional NMs of different chemical composition such as silica, polymer, iron oxide, and lanthanide-based upconversion nanoparticles with optical assays, electrochemical titration methods, qNMR, and chromatographic separation techniques. In addition, ongoing interlaboratory comparisons will be presented. T2 - Yucomat 2025 CY - Herec Novi, Montenegro DA - 01.09.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Surface KW - Standardization KW - Reference material KW - Functional group KW - Quantification KW - Coating KW - Interlaboratory comparison KW - Uncertainty PY - 2025 AN - OPUS4-64182 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Measurements of Photoluminescence Quantum Yields of Scattering LED Converter Materials N2 - How to Get it Right with the Absolute Measurement of Photoluminescence Quantum Yields of Scattering LED Converter Materials Saskia Fiedler+,a, Florian Frenzel+,a, Christian Würth a, Isabella Tavernaro a, Michelle Grüne c, Stefan Schweizer c,d, Axel Engel e, and Ute Resch-Genger a* a Division Biophotonics, Federal Institute for Materials Research and Testing (BAM), Richard-Willstaetter-Strasse 11, D-12489 Berlin, Germany; email: ute.resch@bam.de b Present address: Photonic Materials, NWO-Institute AMOLF, Science Park 104, 1098 XG Amsterdam, The Netherlands c Faculty of Electrical Engineering, South Westphalia University of Applied Sciences, Lübecker Ring 2, 59494, Soest, Germany d Fraunhofer Application Center for Inorganic Phosphors, Branch Lab of Fraunhofer Institute for Microstructure of Materials and Systems IMWS, Lübecker Ring 2, 59494, Soest, Germany e Schott AG Technical Services, Hattenbergstrasse 10, D-55122 Mainz, Germany Optical measurements of scattering materials such as luminescent nano- and microparticles and phosphors dispersed in liquid and solid matrices play an important role in energy conversion, solid-state lighting, medical diagnostics, and security barcoding. A key performance parameter is the photoluminescence quantum yield QY, i.e., the number of emitted per number of absorbed photons. QY of transparent luminophore solutions can be obtained relative to a fluorescence QY standard of known QY, meanwhile available as certified reference materials.[1] The determination of QY of scattering liquid and solid samples like nanoparticle dispersions, phosphors, and optoceramics requires, however, absolute measurements with an integrating sphere setup. Despite the need for reliable absolute QY measurements, no interlaboratory comparison (ILCs) on measurement uncertainties has been performed and scattering standards with known QY are not available. We present the results of an ILC of 3 labs from academia and industry on measurements of transparent and scattering dye solutions and solid phosphors and converter materials like YAG:Ce optoceramics with commercial stand-alone integrating sphere setups of different illumination and detection geometries. Special emphasis was dedicated to the influence of measurement geometry, optical properties of the blank for determining the number of incident photons absorbed by the sample, and sample-specific surface roughness. Matching QY values could be obtained for transparent dye solutions and scattering dispersions with a blank with scattering properties closely matching those of the sample, QY measurements of optoceramic samples with different blanks revealed substantial differences of more than 20 %. Based on our data, we recommend non-absorbing blank materials with a high reflectivity (>95 %) such as a 2 mm-thick PTFE target placed on the sample holder as blanks. T2 - eMRS CY - Strasbourg, France DA - 26.05.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Quantum yield KW - NIR KW - Characterization KW - Electron microscopy KW - Film KW - Integrating sphere spectroscopy KW - Calibration KW - Lifetime KW - Advanced materials KW - LED converter KW - YAG:Ce KW - ILC KW - Measurement uncertainty KW - Absolute quantum yield PY - 2025 AN - OPUS4-63327 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rezvani, A. A1 - Wang, Z. A1 - Wegner, Karl David A1 - Soltanmoradi, H. A1 - Kichigin, A. A1 - Zhou, X. A1 - Gantenberg, T. A1 - Schram, J. A1 - Zubiri, B. A. A1 - Spiecker, E. A1 - Walter, J. A1 - Resch-Genger, Ute A1 - Segets, D. T1 - Separation of Indium Phosphide/Zinc Sulfide Core−Shell Quantum Dots from Shelling Byproducts through Multistep Agglomeration N2 - Semiconductor quantum dots (QDs) possess unique electronic and optical properties, making them promising candidates for applications in lightemitting diodes, solar cells, bioimaging, and photocatalysis. Precise control over their size, shape, and chemical and electronic structure is crucial to ensure the desired functional properties and optimize device performance. However, challenges in QD synthesis and post-synthesis modification persist, especially in large-scale production. This study addresses the classification of QDs synthesized in a tubular flow reactor consisting of a mixture of the desired InP/ZnS core−shell QDs and QDs made from the shell material, i.e., here ZnS QDs formed as a byproduct during the formation step of the ZnS shell. The homogeneous nucleation of ZnS nanoparticles from the shelling material introduces a heterogeneity in size and composition and affects the optical properties of the resulting QDs. To address this issue, we developed a size-selective agglomeration (SSA) technique by incrementally introducing ethanol as a poor solvent and classified the synthesized QDs into 13 distinct fractions. These 13 fractions are sorted into three distinct groups: (i) larger InP/ZnS QDs, (ii) a combination of smaller InP/ZnS QDs and larger ZnS QDs, and (iii) predominant ZnS QDs with some very tiny InP/ZnS QDs. The comprehensive characterization of the fractions was conducted using UV−visible absorption spectroscopy, photoluminescence spectroscopy, high-resolution scanning transmission electron microscopy, energy-dispersive X-ray spectroscopy, total reflection X-ray fluorescence, and analytical ultracentrifugation. We could demonstrate that our method effectively separated unwanted ZnS QDs from the target InP/ZnS QDs. In addition, the fractions enriched in smaller InP/ZnS QDs exhibited a higher photoluminescence quantum yield compared to the fractions with larger QDs. This demonstrates the efficacy of SSA in finetuning the composition of QD mixtures produced on a larger scale to improve their functional properties. This approach provides fundamental understanding toward the development of a scalable two-dimensional classification process for such ultrasmall nanoparticles by particle size and composition. KW - Quality assurance KW - Reference material KW - Nano KW - Particle KW - Quantum dot KW - Synthesis KW - Flow reactor KW - InP KW - Shell KW - ZnS KW - Surface chemistry KW - Method KW - Fluorescence KW - Quantum yield KW - TEM PY - 2025 DO - https://doi.org/10.1021/acsnano.4c18530 SN - 1936-086X VL - 19 IS - 20 SP - 19080 EP - 19094 PB - ACS Publications AN - OPUS4-63215 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Oskoei, Párástu T1 - Cell mechanisms induced by doxorubicin-loaded UCNP@MSN nanoparticles with a thermosresponsive nanovalve in melanoma cells N2 - Upconversion nanoparticles (UCNPs) exhibit several remarkable optical properties, including excitation by near infrared (NIR) light, which enables deep tissue penetration, multiple distinct emission bands across a wide range of wavelengths, long luminescen ce lifetimes, and high photostability. These features make them particularly attractive for various biomedical applications. Mesoporous silica nanoparticles (MSNs), functionalized with nanovalves or specific coatings, have been explored for controlled and targeted drug delivery, where therapeutic agents are encapsulated within the nanopores, allowing spatiotemporal release 1 3 ]]. Among the promising approaches, photoactivated drug delivery systems have drawn considerable interest due to their versatility and potential. One relevant application is in the treatment of melanoma, an aggressive form of skin cancer with a rising global incidence. In advanced stages, conventional therapies often fail to achieve complete tumour eradication, resulting in poor prognose s 4 In this study, UCNPs were coated with a mesoporous silica shell to form core shell UCNP@MSN nanoparticles, which were further functionalized with thermoresponsive retro Diels Alder nanovalves and loaded with doxorubicin (DOX), a chemotherapeutic drug used in melanoma treatment. Upon exposure to 980 nm NIR light, DOX release was successfully triggered in the culture medium. Exposure to functionalized UCNPs decreased the viability of the tested melanoma cell lines, with further reductions observed when the ex posure to the nanoparticles was combined with irradiation. Subsequently, t he toxicity mechanisms were evaluated and showed that w hile individual treatments with either the functionalized UCNPs or NIR irradiation alone had no effect on reactive oxygen species (ROS) production, their combination significantly increased ROS levels in two of the three tested cell lines. This combined treatment also led to notable increases in apoptotic , necrotic or both type of cells’ percentages on all cell lines. Overall, these findings highlight the potential of these nanoparticles with thermoresponsive gating mechanisms as effective platforms for targeted drug delivery in melanoma therapy. T2 - EUROTOX 2025 CY - Athens, Greece DA - 14.09.2025 KW - Nano KW - Particle KW - Lanthanide KW - Upconversion KW - Surface chemistry KW - Mesoporous silica KW - Doxorubicin KW - Nanomedicine KW - Triggered release KW - pH KW - Cellular uptake KW - Toxicity KW - Folate KW - Ligand PY - 2025 AN - OPUS4-64372 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tavernaro, Isabella A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - Tobias, Charlie A1 - Resch-Genger, Ute A1 - Meermann, Björn T1 - Quantification of the amount of surface groups of aminated silica nano- and microparticles utilizing a fluorine tag and HR-CS-GFMAS N2 - The performance, bioavailability, and safe use of engineered nanomaterials (NMs) depends not only on properties such as size, shape, and surface area, but largely on surface chemistry. While many sizing methods have been established, there is still a lack of validated screening methods for determining NM surface functional groups (FGs). In this context, we present a fast and simple method for FG quantification using high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) and assess its applicability for the surface analysis of representatively chosen aminated silica nanoparticles (NPs) and microparticles (MPs) in conjunction with amino FG labeling with a fluorine tag. For this proof-of-concept study, first surface amino FG screening of the silica NPs and MPs was done with a potentiometric back titration method, providing the total amount of protonatable surface FGs, and two optical assays relying on reporter dyes with sizes and spatial requirements, i.e., surface binding areas smaller or larger than that of the fluorine tag to estimate the maximum and reporter-accessible number of amino FGs. Subsequently, the surface amino FGs were labeled with the fluorine tag 4-(trifluoromethyl)benzoic acid (TFMB) and the amount of fluorine originating from the bound TFMB molecules was quantified by HR-CS-GFMAS in two common organic solvents, i.e., dimethyl sulfoxide (DMSO) or ethanol (EtOH) to assess possible interferences from organic matrices. Our study revealed limits of detection (LODs) and quantification (LOQs) for fluorine of 1.0 µg/L and 3.5 µg/L in EtOH and 1.5 µg/L and 5.0 µg/L in DMSO, respectively. Overall, a quick and simple method for analyzing surface FGs on NPs and MPs was presented utilizing broadly available fluorine tags and HR-CS-GFMAS for fluorine quantification, which can be applied, e.g., for homogeneity, stability, and aging studies of surface-modified particles. This could contribute to ease the understanding of property-safety relationships for surface-functionalized NMs. KW - Fluorine Analysis KW - Nano- and microparticles KW - Surface group quantification PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641965 DO - https://doi.org/10.1007/s00216-025-06107-4 SN - 1618-2642 SP - 1 EP - 11 PB - Springer Science and Business Media LLC CY - Berlin ; Heidelberg AN - OPUS4-64196 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Oskoei, Párástu T1 - Effects of upconversion nanoparticles with a thermo-responsive nanovalve loaded with doxorubicin in melanoma cells N2 - Melanoma skin cancer has an increasingly higher incidence , and w hen detected in advanced stages, tumour eradication is often incomplete, contributing to poor prognosis with conventional treatments. Upconversion nanoparticles (UCNPs) have unique properties, such as excitability under near infrared (NIR) excitation light, which confers a relatively high penetration depth in tissue that allow their effective use in several biomedical applications Mesoporous silica nanoparticles (MSN) with nanovalves or derived coatings have widely been used for triggered and targeted drug delivery in the past. Anticancer drugs can be loaded into the pores of MSN, enabling controlled drug release. In this work, UCNPs were coated with a mesoporous silica shell yielding UCNP@MSN core shell nanoparticles which were equipped with thermoresponsive retro Diels Alder nanovalves and then loaded with DOX , a chemotherapeutic agent for melanoma treatmen t (UCNP@MSN DOX) Subsequent DOX release from this drug delivery system was triggered by 980 nm NIR light. Melanoma cells exposed to UCNP@MSN DOX or the NIR laser exhibited no change in ROS production , while the combination of both induced an increase in ROS production. This combination of conditions also induced changes on apoptosis and necrosis levels. These findings underscore the potential use of UCNP @MSN drug delivery systems with thermoresponsive caps as effective drug delivery platforms for melanoma therapy. T2 - VII iBiMED Symposium CY - Aveiro, Portugal DA - 23.05.2025 KW - Nano KW - Particle KW - Lanthanide KW - Upconversion KW - Surface chemistry KW - Mesoporous silica KW - Doxorubicin KW - Nanomedicine KW - Triggered release KW - pH KW - Cellular uptake KW - Toxicity KW - Folate KW - Ligand PY - 2025 AN - OPUS4-64373 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Resch-Genger, Ute A1 - Richter, Maria A1 - Güttler, Arne A1 - Pauli, Jutta A1 - Vogel, K. A1 - Homann, Christian A1 - Würth, Christian T1 - Extending Certified Spectral Fluorescence Standards for the Calibration and Performance Validation of Fluorescence Instruments to the NIR – Closing the Gap from 750 nm to 940 nm with Two Novel NIR Dyes N2 - Fluorescence methods provide spectral, intensity, polarization, and lifetime information, which contain sample- and instrument-specific contributions. Fluorescence data, comparable across instruments and laboratories, require validated calibration procedures and certified fluorescence standards. KW - Quality assurance KW - Reference material KW - Fluorescence KW - Dye KW - Traceability KW - Metrology KW - Calibration KW - Reference data KW - Reference product KW - Digital certificate KW - NIR KW - Instrument performance validation PY - 2025 SP - 1 EP - 4 PB - Springer Nature CY - London AN - OPUS4-62739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Andreato, E. A1 - Panov, N. A1 - Artiga, A. A1 - Osipova, Viktoriia A1 - Resch-Genger, Ute A1 - Ximendes, E. A1 - Molina, P. A1 - Canton, P. A1 - Marin, R. T1 - Indium-Based Fluoride Nanoparticles Doped with Chromium for Near-Infrared Luminescence N2 - Transition metal (TM) and rare earth (RE) ion-doped nanoparticles (NPs) are photoluminescent materials of technological relevance in bioimaging, sensing, and light conversion. Fluoride NPs are particularly attractive in this context, since they combine low-energy phonons, high chemical stability, optical transparency, size, and architecture tunability. Yet, nearly all reported colloidal fluoride NPs (e.g., NaYF4 and LiYF4) can only be efficiently doped with RE3+ and not with luminescent TM ions. Herein, we contribute to filling this gap in materials science by reporting Na3InF6 NPs doped with Cr3+ as a model luminescent TM ion. We unveil the heat-driven NP formation mechanism, which involves a cubic-to-monoclinic phase conversion, similarly to the cubic-tohexagonal phase conversion in NaYF4. Reaction temperatures above 225 °C and reaction time have a limited impact on the NP morphology, while the amount of fluoride precursor and oleylamine grants control over the NP size. After verifying that Na3InF6 NPs show negligible cytotoxicity toward U-87 cell line, we study the optical properties of these NPs upon Cr3+ doping. Temperature-dependent photoluminescence measurements indicate that Cr3+ ions experience a weak crystal field in the Na3InF6 host lattice, while their photoluminescence lifetime varies linearly in the 20−50 °C range. These results set the ground for further studies of photoluminescent TM-doped fluoride NPs, toward their applications in bioimaging, sensing, and light-converting devices. KW - Quality assurance KW - Fluorescence KW - Traceability KW - Nano KW - Particle KW - Synthesis KW - Quantum yield KW - NIR KW - Mechanism KW - Characterization KW - XRD KW - Phase transition KW - Ligand KW - Surface KW - Doping KW - Lifetime PY - 2025 DO - https://doi.org/10.1021/acs.chemmater.4c03335 SN - 1520-5002 SP - 1 EP - 14 PB - American Chemical Society AN - OPUS4-63073 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Matiushkina, Anna T1 - Quantification of Citrate Ligands on Nanoparticle Surfaces N2 - To ensure the successful advancement of nanomaterials (NM) in applications and their safe use, it is crucial to develop reliable methods to control and quantify ligands and functional groups (FG) on the nanoparticle (NP) surface as surface chemistry largely determines the interactions of NPs with their surroundings. Many analytical methods can be used for this purpose. However, their applicability strongly depends on the type of NM and ligand(s) and most of them require challenging protocols for sample preparation, i.e., the removal of the NPs or their dissolution, which can influence the accuracy of the measurements. While some methods allow the precise quantification of specific ligands such as quantitative nuclear magnetic resonance (qNMR), others provide only semi-quantitative results like Fourier Transform infrared spectroscopy (FTIR) or target more general analyte groups like thermogravimetric analysis (TGA) detecting mass losses (total organic content) or conductometry (e.g., (de)protonable FGs such as carboxyl or amine groups). [1] The calculation of the coverage of the NP surface with ligands, additionally requires knowledge of their total surface area, which can be obtained, e.g., from a precise characterization of NP size and concentration. Citrate is one of the most frequently utilized surface ligand for stabilizing metal, metal oxide, and lanthanide-based upconversion NPs in hydrophilic environments. However, its quantification on NP surfaces has rarely been addressed although it is a frequent analyte in medical or food analysis. In this study we compare several methods for quantifying citrate as capping ligands of iron oxide NPs (IONPs), exemplarily chosen because of their broad applications in the life science. [2] The size of the IONPs was characterized by electron microscopy (EM) and dynamic light scattering (DLS), while their concentration was determined by quantifying iron ions after acidic particle dissolution using a colorimetric assay and inductively coupled plasma optical emission spectroscopy (ICP-OES). The simplest approach for citrate quantification, direct photometric UV-detection after acidic digestion of the IONPs, yielded only reasonable results when combined with reversed phase high-performance liquid chromatography (HPLC). These results were cross validated with qNMR that required the development of a reliable sample preparation protocol addressing not only particle dissolution in deuterated solvents but also the removal of the paramagnetic iron ions interfering with NMR measurements. Comparison with results from TGA gives insight into the sensitivity and specificity of these methods and their potential for quantifying surface ligands on NPs. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Advanced material KW - Functional group KW - Iron oxide KW - Ligand KW - Nano KW - Particle KW - Quantification KW - Surface analysis PY - 2025 AN - OPUS4-64861 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gawlitza, Kornelia T1 - Using Dual Fluorescent Molecularly Imprinted Particles Coupled with a Miniaturized Opto-Microfluidic Platform for On-Site Detection of Perfluoroalkyl Carboxylic Acids N2 - Per- and polyfluoroalkyl substances (PFAS) are a group of synthetic organofluorine chemicals widely used in the production of various materials, including firefighting foams, adhesives, and coatings that resist stains and oil. In recent years, PFAS have gained attention as emerging environmental contaminants, with particular emphasis on perfluoroalkyl carboxylic acids (PFCAs), the most common type of PFAS. PFCAs are defined by a fully fluorinated carbon chain and a charged carboxylic acid group. They have been classified as Substances of Very High Concern and included in the REACH Candidate List due to their persistence, resistance to biodegradation, and toxicological impacts. Traditional methods for analyzing PFCAs, like GC-MS, HRMS, and HPLC-based techniques, are time-consuming, non-portable, expensive, and require specialized expertise. On the other hand, fluorescence assays offer a user-friendly, portable, and cost-effective alternative with high sensitivity and quick results, particularly when the binding of the analyte causes a specific increase in the probe’s fluorescence. Combining these probes with a carrier platform and a miniaturized optofluidic device presents a promising approach for PFCA monitoring. In this study, a new guanidine BODIPY fluorescent indicator monomer was synthesized, characterized, and incorporated into a molecularly imprinted polymer (MIP) designed for the specific detection of perfluorooctanoic acid (PFOA). The MIP layer was formed on silica core nanoparticles doped with tris(bipyridine)ruthenium(II) chloride, serving as an optical internal reference for calibration-free assays. In combination with an extraction step prior to sample analysis, this system enables selective and reliable detection of PFCAs in surface water samples, minimizing interference from competing substances, matrix effects, and other factors. When integrated into an opto-microfluidic setup, the assay provided a compact, user-friendly detection system capable of detecting micromolar levels of PFOA in under 15 minutes from surface water samples. T2 - ANAKON2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Perfluorooctanoic Acid (PFOA) KW - On-site detection KW - Fluorescence KW - Microfluidics KW - Molecularly Imprinted Polymers PY - 2025 AN - OPUS4-62712 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fayis Kalady, Mohammed A1 - Schultz, Johannes A1 - Weinel, Kristina A1 - Wolf, Daniel A1 - Lubk, Axel T1 - Geometry-dependent localization of surface plasmons on random gold nanoparticle assemblies N2 - Assemblies of plasmonic nanoparticles (NPs) support hybridized modes of localized surface plasmons (LSPs), which delocalize in geometrically well-ordered arrangements. Here, the hybridization behavior of LSPs in geometrically completely disordered two-dimensional arrangements of Au NPs fabricated by an e-beam synthesis method is studied. Employing electron energy loss spectroscopy in a scanning transmission electron microscope and numerical simulations, the disorder-driven spatial and spectral localization of the coupled LSP modes that depends on the NP thickness is revealed. Below a NP thickness of 0.4 nm, localization increases toward higher hybridized LSP mode energies. In comparison, above 10 nm thickness, a decrease of localization toward higher mode energies is observed. In the intermediate thickness regime, a transition of the energy dependence of the localization between the two limiting cases, exhibiting a mode energy with minimal localization, is observed. It is shown that this behavior is mainly driven by the energy and thickness dependence of the polarizability of the individual NPs. KW - Gold Nanoparticles KW - Surface plasmons KW - Electron enerdy loss spectroscopy (EELS) KW - scanning transmission electron microscopy PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647230 DO - https://doi.org/10.1103/44nk-6bp2 SN - 2643-1564 VL - 7 IS - 043053 EP - 4 PB - American Physical Society AN - OPUS4-64723 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Homann, Christian A1 - Peeters, Régis A1 - Mirmajidi, Hana A1 - Berg, Jessica A1 - Fay, Michael A1 - Rodrigues, Lucas Carvalho Veloso A1 - Radicchi, Eros A1 - Jain, Akhil A1 - Speghini, Adolfo A1 - Hemmer, Eva T1 - Rapid microwave-assisted synthesis of morphology-controlled luminescent lanthanide-doped Gd2O2S nanostructures N2 - Gadolinium oxysulfide (Gd2O2S) is an attractive material of demonstrated suitability for a variety of imaging applications, leveraging its magnetic, scintillating, and luminescent properties, particularly when doped with optically active lanthanide ions (Ln3+). For many of these applications, control over size and morphology at the nanoscale is crucial. This study demonstrates the rapid microwave-assisted Synthesis of colloidal Ln2O2S (Ln = Gd and dopants Yb, Er, Tb) nanostructures in as little as 20 min. Structural characterization using X-ray diffraction analysis (XRD), Raman spectroscopy, as well as Transmission electron microscopy (TEM), including elemental mapping via energy dispersive X-ray spectroscopy (EDS), unveiled the key role of elemental sulphur (S8) in the reaction mixtures for materials growth. By systematically varying the Ln-to-S ratio from 1 : 0.5 to 1 : 15, controlled morphologies ranging from triangular nanoplatelets to berry- and flower-like shapes were achieved. Doping with Er3+/Yb3+ endowed the nano-triangles with upconverting and near-infrared emitting properties. Tb3+-doped Gd2O2S exhibited the characteristic green Tb3+ emission under UV excitation, while also showing X-ray excited optical luminescence (XEOL), rendering the material interesting as a potential nano-scintillator. KW - Upconversion KW - Microwave-assisted synthesis KW - Synthesis KW - Fluorescence KW - Nano KW - Particle KW - NIR KW - XRD KW - X-ray fluoressence KW - Morphology control KW - Raman PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647907 DO - https://doi.org/10.1039/D5TC01646K SN - 2050-7526 VL - 13 IS - 35 SP - 18492 EP - 18507 PB - Royal Society of Chemistry (RSC) AN - OPUS4-64790 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Adamski, Paweł A1 - Zgrzebnicki, Michał A1 - Albrecht, Aleksander A1 - Jurkowski, Artur A1 - Wojciechowska, Agnieszka A1 - Ekiert, Ewa A1 - Sielicki, Krzysztof A1 - Mijowska, Ewa A1 - Smales, Glen J. A1 - Maximenko, Alexey A1 - Moszyński, Dariusz T1 - Ammonia synthesis over γ-Al2O3 supported Co-Mo catalysts N2 - Novel ammonia synthesis catalysts are sought due to energetic transformation and increasing environmental consciousness. Materials containing cobalt and molybdenum are showing state-of-art activities in ammonia synthesis. The application of γ-alumina support was proposed to enhance the properties of Co-Mo nanoparticles. The wet impregnation of the support was conducted under reduced pressure. The active catalysts were obtained by ammonolysis of precursors. The chemical and phase composition, as well as morphology, porosity, and surface composition of precursors and catalysts, were characterized. The Co-Mo nanoparticles phase composition as well as their size and dispersion were determined using X-ray absorption spectroscopy utilizing synchrotron radiation, electron microscopy, and X-ray scattering. The catalytic activity was tested in the ammonia synthesis process under atmospheric pressure. The activity and stability of the supported catalysts were compared with unsupported cobalt molybdenum nitride Co3Mo3N, revealing the superiority of the present approach. KW - Ammonia synthesis KW - Supported catalyst KW - Cobalt molybdenum nitrides KW - Scattering KW - X-ray scattering KW - Gamma-alumina KW - Stability PY - 2025 DO - https://doi.org/10.1016/j.mcat.2025.114907 SN - 2468-8231 VL - 575 SP - 1 EP - 9 PB - Elsevier B.V. AN - OPUS4-64827 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gugin, Nikita T1 - ZIF-8-Based Biocomposites via Reactive Extrusion: Towards Industrial-Scale Manufacturing N2 - Mechanochemistry offers a solvent-free, sustainable alternative to conventional synthesis of metal-organic framework (MOF) biocomposites, which hold great promise for applications in drug delivery, biocatalysis, and biosensing,[1] yet the field remains limited to batch-type, gram-scale processes that restrict industrial application. To overcome these limitations, we present a scalable solid-state method for producing MOF-based biocomposites via continuous reactive extrusion. The process begins with rapid model reactions using hand-mixing[2] to encapsulate a variety of biomolecules into zeolitic imidazolate framework-8 (ZIF-8), including proteins, carbohydrates, and enzymes, thereby enabling rapid screening and optimization of reaction conditions. The mild synthesis conditions preserve the catalytic activity of glucose oxidase, confirming the suitability of the method to sensitive biomaterials. Building on this, we translated the batch protocol to twin-screw extrusion,[3] enabling continuous and scalable synthesis of biocomposites such as bovine serum albumin (BSA)@ZIF-8 with tunable protein content. The extrusion process yielded highly crystalline, porous materials with protein loadings of up to 26 wt% and encapsulation efficiencies as high as 96%. The production rate reached 1.2 kg d⁻¹, significantly exceeding previously reported continuous methods.[4] To demonstrate the industrial viability of the method, we extended the approach to produce shaped ZIF-8 monoliths loaded with hyaluronic acid (HA) in a single-step extrusion. These monoliths retained their structural integrity during washing and released HA without measurable degradation, as confirmed by size-exclusion chromatography. Our study opens new avenues for the industrial implementation of MOF biocomposites and establishes reactive extrusion as a robust platform for their scalable synthesis and shaping, expanding the toolkit for drug delivery and biocatalytical applications. T2 - Tag der Chemie 2025 CY - Berlin, Germany DA - 03.07.2025 KW - Mechanochemistry PY - 2025 AN - OPUS4-63802 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Voss, Heike A1 - Zahedi-Azad, Setareh A1 - Ernst, Owen C. A1 - Lucaßen, Jan A1 - Mann, Guido A1 - Bonse, Jörn A1 - Boeck, Torsten A1 - Martin, Jens A1 - Schmid, Martina A1 - Krüger, Jörg T1 - Chemical vapor deposition of indium precursors for solar microabsorbers using continuous laser radiation BT - A, Materials science & processing N2 - Localized deposition of indium on an amorphous glass surface covered with a thin molybdenum layer is demonstrated utilizing laser-assisted chemical vapor deposition. A continuous-wave laser causes a temperature rise on the molybdenum layer resulting in the selective aggregation of liquid and ultimately crystalline structures of indium. The formation sites of the indium are determined by the decomposition of gaseous trimethylindium. The deposited indium islands can serve as precursors and could be further processed into compound semiconductors like CuInSe2 for micro-concentrator solar cells. The experimental investigations were supported by theoretical simulations of the laser heating process to calculate the local temperature distribution on the surface of the molybdenum-covered glass substrate. KW - Laser-assisted Chemical Vapor Deposition KW - CW Laser KW - Indium Islands KW - Micro-concentrator Solar Cell PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641069 DO - https://doi.org/10.1007/s00339-025-08895-z SN - 0947-8396 VL - 131 SP - 1 EP - 10 PB - Springer CY - Berlin ; Heidelberg [u.a.] AN - OPUS4-64106 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xu, Alan A1 - Moschetti, Michael A1 - Miskovic, David A1 - Wei, Tao A1 - Ionescu, Mihail A1 - Wang, Zhiyang A1 - Palmer, Tim A1 - Bhattacharyya, Dhriti A1 - He, Peidong A1 - Li, Xiaopeng A1 - Gludovatz, Bernd A1 - Ferry, Michael T1 - Improved irradiation resistance of a low activation refractory medium entropy alloy, VCrFeW0.2, for fusion applications demonstrated by micro-tensile testing N2 - An, as cast, VCrFeW0.2 refractory medium entropy alloy (RMEA) was designed for fusion reactor divertor applications, focusing on reduced cost, low activation and compositional stability (low transmutation rates). The as-cast alloy was irradiated to a fluence of 5.6 × 10^17 ions/cm^2 at room temperature with 5 MeV helium ions whose energy have been uniformly attenuated to 0.4 MeV and 5 MeV via energy degradation device prior to sample irradiation. Pre and post irradiation, its mechanical properties were evaluated micro-tensile testing. Prior to irradiation, the VCrFeW0.2 alloy demonstrated good strength and ductility, with a yield strength of 1464 MPa and strain to UTS (\sigma_UTS) of 4.6 %, maintaining comparable strength to pure tungsten (1403 MPa) but with greater strain to UTS (1.3 %). Post irradiation, the VCrFeW0.2 alloy exhibited remarkable damage resistance; its strength increased by only ∼160 MPa, and it retained strain to UTS with a \sigma_UTS of 2.9 %. It performed better than pure tungsten tested under identical irradiation conditions where there was ∼1800 MPa increase in yield strength and a complete loss of plasticity. The micro-tensile results were supported by nanoindentation tests and Vickers hardness testing was also undertaken to show the yield strength values are representative of macro scale, bulk behavior. TEM and comparison with existing literature on RMEA/RHEA are presented here to understand the reason for difference in performance between VCrFeW0.2 alloy and pure tungsten. KW - Refractory medium entropy alloys KW - Fusion reactor materials KW - Irradiation resistance KW - Micro-tensile testing KW - Helium ion damage PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645322 DO - https://doi.org/10.1016/j.ijrmhm.2025.107481 SN - 0263-4368 VL - 134 SP - 1 EP - 16 PB - Elsevier Ltd. CY - Netherlands AN - OPUS4-64532 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Robust data generation, heuristics and machine learning for designing sustainable materials N2 - Despite advances in computational materials design, simulating large systems—such as defects, interfaces, or amorphous states—with quantum-chemical accuracy remains a major challenge.[1] Machine learning (ML) methods are emerging as powerful tools to overcome these limitations, enabling scalable and accurate modeling beyond traditional quantum-chemical approaches.[2] They also open new avenues for discovering non-toxic, earth-abundant alternatives to existing materials and can be combined with self-driving labs. [3] There are nowadays robust data generation strategies that underpin the development and benchmarking of ML models. [4,5]atomate2 I will focus on such strategies for quantum-chemical bonding analysis and ML interatomic potentials in my talk. Quantum-chemical bonding descriptors can be effectively used in ML models to predict phononic properties. [6] ML interatomic potentials offer a powerful approach for predicting energies, forces, and stresses—but their performance hinges on high-quality training data. Our automated framework, autoplex, enables diverse and scalable training workflows, from random structure searches for general-purpose models to phonon-aware pipelines for high-accuracy predictions.[7] While quantum chemistry excels in many domains, properties like magnetism and synthesizability remain elusive. Here, heuristics or leveraging experimental data for ML offer promising alternatives.[8,9] T2 - Advanced Materials Safety 2025 CY - Dresden, Germany DA - 04.11.2025 KW - Nano Particles KW - Machine Learning KW - Automation KW - Materials Design KW - Sustainability KW - Material Safety PY - 2025 AN - OPUS4-64599 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hörmann, Anja Franziska T1 - extending the MOUSE in spirit: lifecycle of a GIXS experiment N2 - We present the new grazing incidence mode at the MOUSE, which adapts and extends the MOUSE methodology developed for transmission X-ray scattering (Smales and Pauw, 2021). Our methodology begins and ends in discussion with our users and embraces automation for reproducible experiments including sample organisation, instrument configuration, documentation and data processing. This poster presents methodological innovations and challenges. T2 - GISAXS 2025 CY - Hamburg, Germany DA - 27.10.2025 KW - Grazing incidence KW - X-ray scattering KW - Experimental methodology PY - 2025 AN - OPUS4-64694 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Alasonati, E A1 - Bartczak, D A1 - Altmann, Korinna A1 - Giovannozzi, A T1 - Towards Standardised Micro and Nanoplastics Analysis via Interlaboratory Comparisons: First Outlook of the VAMAS TWA 45 P3 Project N2 - This talk is part of the stakeholder workshop of the PlasticTrace project held in September 2025 in Oslo. The presentation shows first results of the VAMAS ILC on nanoplastics. PP nanoparticles were given to the participants. These were asked to measure the mass or particle number or size of the PP nanoplastics. Various techniques such as DLS, FFF, Py-GC/MS, TED-GC/MS, PTA were used. T2 - Stakeholder Workshop PlasticsTrace CY - Online meeting DA - 09.09.2025 KW - Nanoplastics KW - ILC KW - DLS KW - Polypropylene PY - 2025 AN - OPUS4-64714 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Production of reference materials using a quality by design approach N2 - Accurate analysis of microplastics is based on validated methods and the use of standardized protocols. Therefore, reference materials are essential to determine recovery rates and optimise the existing workflows. The reference materials should mimic the reality in terms of particle properties and concentration and are intended for a special use. The Quality-by-Design approach helps to select the users need and defines a target product profile with mandatory and desired particle properties. We will address different reference material top-down production processes with their limits and challenges for production of materials varying in size ranges of micro- and nanoplastics. T2 - OECD Workshop on Nanoplastics CY - Paris, France DA - 12.11.2025 KW - Microplastics KW - Reference materials KW - Nanoplastics KW - Quality-by-Design PY - 2025 AN - OPUS4-64717 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fischer, Tim A1 - Huber, Norbert T1 - Designing microcompression experiments for nanoporous metals via computational plasticity N2 - Micropillar compression testing is essential for understanding bulk metal plasticity at small scales and has emerged as a key technique for evaluating nanoporous metals like nanoporous gold (NPG). To support experimental design, we present a computational plasticity study on single crystal NPG micropillars, systematically examining four extrinsic factors: pillar height-to-diameter ratio, taper angle, friction coefficient, and misalignment angle. The study reveals that NPG exhibits similar trends to its bulk counterpart but is less prone to post-yield buckling in unstable crystal orientations. For optimal NPG pillar stability, an aspect ratio of is recommended and a moderate taper angle to prevent artificial stiffening and yielding. Even minimal friction enhances stability, while buckling is mainly governed by misalignment, requiring to also avoid underestimating the elastic modulus. KW - Nanoporous gold KW - Microcompression KW - Plasticity KW - Finite element method KW - Micromechanics PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645317 DO - https://doi.org/10.1016/j.matdes.2025.114550 SN - 0264-1275 VL - 258 SP - 1 EP - 9 PB - Elsevier Ltd. AN - OPUS4-64531 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Huber, Norbert T1 - Perspectives and pitfalls in modeling of structure-property relationships using machine learning N2 - Machine learning (ML) has been increasingly utilized to support microstructure characterization and predict mechanical properties. A successful ML model typically requires a comprehensive understanding of existing knowledge, expertise in translating this knowledge into meaningful input features, an effective ML architecture, and robust validation of the trained model. Despite the rapid growth in publications incorporating ML methods in recent years, there is limited literature specifically addressing nanoporous metals. The talk will give an overview on perspectives and pitfalls in modeling of structureproperty relationships using machine learning with focus on various challenges that arise from the specific nature of nanoporous metals including randomness of microstructure, image segmentation, lack of tomography data, feature engineering for property prediction, and implications for plasticity including anisotropic flow and arbitrary multiaxial loading on the lower scale of hierarchy. An outlook will be given on the perspectives of establishing a culture of open data, specifically towards curated data sets needed for training and validation of ML models. Potential use cases are the comparison of data from different sources, mining of more general relationships, and validation of models trained with computer generated data using experimental data. T2 - 5th International Symposium on Nanoporous Materials by Alloy Corrosion CY - Sendai, Japan DA - 06.10.2025 KW - Nanoporous metals KW - Machine learning KW - Structure-properties relationship KW - Materials design PY - 2025 AN - OPUS4-64536 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Li, Yong A1 - Hu, Kaixiong A1 - Lilleodden, Erica T. A1 - Huber, Norbert T1 - Datasets for structural and mechanical properties of nanoporous networks from FIB reconstruction N2 - This dataset paper presents a comprehensive archive of 3D tomographic reconstruction image files, volume mesh files for finite element simulations, and tabulated structural and mechanical properties data of nanoporous gold structures. The base material is nanoporous gold, fabricated using a dealloying process, with a solid fraction of approximately 0.30. The NPG samples with ligament sizes ranging from 20 nm to 400 nm were prepared by dealloying and by controlling the thermal annealing process. The original data consist of tomographic TIFF files acquired through Focused Ion Beam/Scanning Electron Microscopy (FIB/SEM) 3D reconstruction, as detailed in Philosophical Magazine 2016 96 (32-34), 3322-3335. At each ligament size, six sets of 3D tomographic images were obtained from different regions of the same sample to ensure representative data. New simulations and analyses were conducted based on the 3D image data. The resulting structural and mechanical property data of nanoporous gold are reported for the first time in this dataset paper. Volume meshing of the 3D reconstructed data was performed using Simpleware software. Structural parameters, including surface area, solid volume, and solid volume fraction of the nanoporous network, were extracted from the meshed volumes. Structural connectivity was assessed from the 3D microstructures. The meshed volumes were then used as input for finite element simulations performed in Abaqus to evaluate mechanical responses under uniaxial compression along all three principal axes respectively. From the resulting stress–strain curves, the Young’s modulus and yield strength of each structure were determined. Both elastic and plastic Poisson’s ratios were analyzed from true strain increments. This dataset includes the 3D tomographic images, corresponding volume mesh files, mechanical behavior data and tables summarizing the structural and mechanical properties. The archived data serve as a database for nanoporous network materials and can be reused for numerical simulations, additive manufacturing, and machine learning applications within the materials science community. All files are openly accessible via the TORE repository at https://doi.org/10.15480/882.15230 KW - Nanoporous gold KW - Dealloying KW - FIB/SEM tomography KW - Finite element KW - Volume mesh KW - Young’s modulus KW - Yield stress KW - Poisson’s ratio PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645330 DO - https://doi.org/10.1016/j.dib.2025.112152 SN - 2352-3409 VL - 63 SP - 1 EP - 14 PB - Elsevier Inc. AN - OPUS4-64533 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Li, Yong A1 - Hu, Kaixiong A1 - Lilleodden, Erica T. A1 - Huber, Norbert T1 - Datasets for structural and mechanical properties of nanoporous networks from FIB reconstruction N2 - This dataset includes 3D tomographic reconstruction image files, volume mesh files for finite element simulations, and data on the structural and mechanical properties of nanoporous gold (NPG) structures. It serves as a supplement to a dataset paper, with the corresponding DOI provided in the “Related Identifiers” section. Detailed descriptions of the data, as well as the procedures for their preparation and curation, are presented in that paper. The base material, nanoporous gold, was fabricated via a dealloying process and has a solid fraction of approximately 0.30. NPG samples with ligament sizes ranging from 20 nm to 400 nm were prepared through dealloying and subsequent thermal annealing. Tomographic TIFF files were obtained via Focused Ion Beam/Scanning Electron Microscopy (FIB/SEM) 3D reconstruction, with the procedure detailed in Philosophical Magazine (2016, 96(32–34), 3322–3335). Based on the 3D image data, new simulations and analyses were performed. The resulting structural and mechanical property data of nanoporous gold are reported for the first time in the dataset paper and are archived here. This dataset provides a valuable database for the study of nanoporous network materials and can be reused for numerical simulations, additive manufacturing, and machine learning applications within the materials science community. KW - Nanoporous gold KW - Dealloying KW - Coarsening KW - FIB/SEM tomography KW - Connectivity KW - Finite element KW - Volume mesh KW - Young’s modulus KW - Yield stress KW - Poisson’s ratio PY - 2025 DO - https://doi.org/10.15480/882.15230 PB - Technische Universität Hamburg Open Research CY - Hamburg AN - OPUS4-64534 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Altmann, Korinna A1 - Portela, Raquel A1 - Barbero, Francesco A1 - Breuninger, Esther A1 - Camassa, Laura Maria Azzurra A1 - Velickovic, Tanja Cirkovic A1 - Charitidis, Costas A1 - Costa, Anna A1 - Fadda, Marta A1 - Fengler, Petra A1 - Fenoglio, Ivana A1 - Giovannozzi, Andrea M. A1 - Haugen, Øyvind Pernell A1 - Kainourgios, Panagiotis A1 - von der Kammer, Frank A1 - Kirchner, Markus J. A1 - Lomax-Vogt, Madeleine A1 - Lujic, Tamara A1 - Milczewski, Frank A1 - Moussawi, Mhamad Aly A1 - Ortelli, Simona A1 - Parac-Vogt, Tatjana N. A1 - Potthoff, Annegret A1 - Jimenez Reinosa, Julian J. A1 - Röschter, Sophie A1 - Sacco, Alessio A1 - Wimmer, Lukas A1 - Zanoni, Ilaria A1 - Dailey, Lea Ann T1 - Characterizing nanoplastic suspensions of increasing complexity: inter-laboratory comparison of size measurements using dynamic light scattering N2 - Understanding the potential human health risks associated with micro- and nanoplastic exposure is currently a priority research area. Nanoplastic toxicity studies are complicated by the lack of available, well-characterized test and reference materials. Further, many nanoplastic test materials are inherently more polydisperse and heterogenous in shape compared to polystyrene beads, making accurate and representative size distribution measurements particularly challenging. The aim of this study was to conduct an inter-laboratory comparison of dynamic light scattering measurements, the most commonly used particle sizing method for nanomaterials. Using a published standard operating procedure, size measurements in water and a standardized cell culture medium (CCM) were generated for spherical, carboxy-functionalized polystyrene nanoparticles (PS-COOH; 50 nm; benchmark material), and for increasingly complex in-house produced spherical poly(ethylene terephthalate) (nanoPET) and irregular shaped polypropylene (nanoPP) test materials. The weighted mean of hydrodynamic diameters of PS-COOH dispersed in water (55 ± 5 nm) showed moderate variation between labs (coefficient of variation, CV = 8.2%) and were similar to literature reports. Measurements of nanoPET (82 ± 6 nm) and nanoPP (182 ± 12 nm) in water exhibited similar CV values (nanoPET: 7.3% and nanoPP; 6.8%). Dispersion of PS-COOH and nanoPET in CCM increased the CV to 15.1 and 14.2%, respectively, which is lower than literature reports (CV = 30%). We conclude with a series of practical recommendations for robust size measurements of nanoplastics in both water and complex media highlighting that strict adherence to a standard operating procedure is required to prevent particle agglomeration in CCM KW - Nanoplastics KW - Reference materials KW - Polypropylene PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-644571 DO - https://doi.org/10.1039/d5en00645g SN - 2051-8153 SP - 1 EP - 15 PB - Royal Society of Chemistry (RSC) AN - OPUS4-64457 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wegner, Karl David T1 - Advancing Short-Wave Infrared (SWIR) Emission N2 - There is a growing interest in the exploitation of the short-wave infrared (SWIR), which refers to the wavelength band of light between 900 nm and 2500 nm. Luminophores that emit in the SWIR are used in various areas of telecommunications, photovoltaics, security systems (night vision), and in biomedicine. In particular for biomedical applications, the SWIR range is highly promising because light scattering, absorption, and autofluorescence of tissue and biological compounds are strongly reduced compared to the visible (400–700 nm) and NIR (~700–900 nm). The benefits of SWIR-emissive QDs have been demonstrated for a variety of applications, such as in thermal sensing, as photoelectrochemical biosensor, in in vivo vascular imaging, and for fluorescence-guided surgery.[1] Full exploitation of SWIR photoluminescence (PL) imaging and sensing is currently hampered by i.) a lack of suitable advanced nanomaterials with a high PL quantum yield (PL QY) and a high brightness, that can be used safely in vivo and ii.) a lack of quantitative and reliable data on the optical properties of many SWIR emitters. Promising nanomaterials for the SWIR are heavy metal-free Ag2S quantum dots (QDs). Aiming for the development of SWIR advanced nanomaterials with optimum performance, we have dived deeper into the photophysical processes occurring in these nanomaterials, thereby exploring in depth how the environment such as temperature, surface ligand composition, and the incorporation of transition metals influence the optical properties Ag2S QDs. We observed a strong enhancement of the SWIR emission of upon addition of metal ions such as Zn2+, yielding PL quantum yields of about 10% and thus making them highly suitable for non-invasive deep imaging of vascular networks and 3D fluid flow mapping. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Quantum dots KW - Nano KW - Particle KW - SWIR KW - Fluorescence KW - Temperature KW - Ag2S KW - Quality assuarance KW - Ligand KW - Sensor PY - 2025 AN - OPUS4-62769 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Andresen, Elina T1 - Lanthanide based multi element nanoparticles: a versatile platform for surface chemistry analysis and potential reference materials N2 - The use of engineered nanoparticles of different size, shape, and composition is continuously increasing in the life and materials sciences. This calls for methods and reference materials enabling the reliable and accurate determination of nanoparticle size, particle size distribution, shape, number concentration, degree of aggregation and agglomeration in different environments as well as for nanoparticle dispersibility and stability. We are currently building up and exploring a platform of lanthanide-based nanocrystals (LnNCs) with application-specifically tuned size, shape, composition, architecture, optical properties, and surface chemistry for emerging applications in life sciences. As a prerequisite for the broad applicability of these nanomaterials, we assess simple, robust, and easily upscaleable synthesis protocols for LnNCs with defined morphologies and tunable optical properties, and the short-term and long-term stability of LnNCs with selected surface coatings in aqueous environments under different application-relevant conditions. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Nano KW - Particle KW - Method KW - Lanthanide KW - Synthesis KW - Upconversion KW - Ligand KW - Quality assurance KW - Particle number concentration KW - Reference material KW - Surface chemistry PY - 2025 AN - OPUS4-62768 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Matiushkina, Anna A1 - Abram, Sarah-Luise A1 - Tavernaro, Isabella A1 - Richstein, R. A1 - Reithofer, M. R. A1 - Andresen, Elina A1 - Michaelis, Matthias A1 - Koch, Matthias A1 - Resch-Genger, Ute T1 - Quantifying Citrate Surface Ligands on Iron Oxide Nanoparticles with TGA, CHN Analysis, NMR, and RP-HPLC with UV Detection N2 - Although citrate is frequently used as a surface ligand for nanomaterials (NMs) such as metal, metal oxide, and lanthanide-based NMs in hydrophilic environments due to its biocompatibility and simple replacement by other more strongly binding ligands in postsynthetic surface modification reactions, its quantification on NM surfaces has rarely been addressed. Here, we present a multimethod approach for citrate quantification on iron oxide nanoparticles (IONPs) broadly applied in the life and material sciences. Methods explored include thermogravimetric (TGA) and elemental (CHN) analysis, providing citrate-nonspecific information on the IONP coating, simple photometry, and citrate-selective reversed-phase high-performance liquid chromatography (RP-HPLC) with absorption (UV) detection and quantitative nuclear magnetic resonance spectroscopy (qNMR). Challenges originating from the strongly absorbing magnetic NM and paramagnetic iron species interfering with optical and NMR Methods were overcome by suitable sample preparation workflows. Our multimethod approach to citrate quantification highlights the advantages of combining specific and unspecific methods for characterizing NM Surface chemistry and method cross-validation. It also demonstrates that chemically nonselective measurements can favor an overestimation of the amount of a specific surface ligand by signal contributions from molecules remaining on the NM surface, e.g., from particle synthesis, such as initially employed ligands and/or surfactants. Our results emphasize the potential of underexplored selective RPHPLC for quantifying ligands on NMs, which does not require a multistep sample preparation workflow such as qNMR for many NMs and provides a higher sensitivity. These findings can pave the road to future applications of versatile HPLC methods in NM characterization. KW - Advanced material KW - Functional group KW - Iron oxide KW - Ligand KW - Nano KW - Particle KW - Quantification KW - Surface analysis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648632 DO - https://doi.org/10.1021/acs.analchem.5c03024 SN - 0003-2700 VL - 97 IS - 36 SP - 19627 EP - 19634 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-64863 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Würth, Christian A1 - Resch-Genger, Ute T1 - Absolute determination of photoluminescence quantum yields of scattering led converter materials how to get it right N2 - Scattering luminescent materials dispersed in liquid and solid matrices and luminescent powders are increasingly relevant for fundamental research and industry. Examples are luminescent nano- and microparticles and phosphors of different compositions in various matrices or incorporated into ceramics with applications in energy conversion, solid-state lighting, medical diagnostics. A key performance parameter is the photoluminescence quantum yield (Φf), i.e., the number of emitted per number of absorbed photons. Φf of transparent luminophore solutions can be obtained relative to a fluorescence Φf standard of known Φf, meanwhile available as certified reference materials.[1] The determination of Φf of scattering liquid and solid samples requires, however, absolute measurements with an integrating sphere setup. Fist we present the results of an interlaboratory comparison of 3 labs from academia and industry on measurements of transparent and scattering dye solutions and YAG:Ce optoceramics, an optical converter material, with commercial stand-alone integrating sphere setups of different illumination and detection geometries.[2] Second we present results for a series of 500 μm-thick polymer films containing different concentrations of photoluminescent and scattering YAG:Ce microparticles.[3] We systematically explored and quantified pitfalls of absolute Φf measurements with special emphasis dedicated to the influence of measurement geometry, optical properties of the blank for determining the number of incident photons absorbed by the sample, and sample-specific surface roughness. Matching Φf values could be easily obtained for transparent dye solutions and scattering dispersions with a blank with scattering properties closely matching those of the sample, Φf measurements of optoceramic samples with different blanks revealed substantial differences of more than 20 %. Our results further reveal that setup configurations can introduce systematic errors resulting in under- or overestimation of the absorbed photon flux and hence an under- or overestimation of Φf. T2 - Shift 2025 CY - La Laguna, Tenerife, Spain DA - 13.10.2025 KW - Quantum Yield KW - LED Converter KW - Luminescent KW - Microparticles PY - 2025 AN - OPUS4-64785 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bresch, Harald T1 - Nanoparticle Characterisation - The long way to standardisation N2 - Diese Präsentation gibt einen Überblick über die Entwicklung der Nanopartikelforschung von ca. 2005 bis heute. Beginnend mit den Besonderheiten von Nanopartikeln und der Aufnahme in den menschlichen Körper über Messmethoden bis hin zur Entwicklung einer Prüfrichtlinie im Rahmen der OECD und einem Ausblick über die absehbaren digitalen Entwicklungen. T2 - Abteilungsseminar der Abteilung 4 CY - Berlin, Germany DA - 27.02.2025 KW - Nanomaterials KW - Nano KW - OECD KW - Standardisierung KW - Advanced Materials PY - 2025 AN - OPUS4-64977 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - da Rocha, Morgana A1 - Chaves, Eduardo T1 - Assessment of Pd Nanoparticles as Chemical Modifiers and Preconcentration Agents for Cd Determination in River Water by HR-CS GFAAS N2 - Cadmium is a heavy metal that can be hazardous to environmental and human health, even in trace levels.[1] In this way, the extraction and/or preconcentration of this element from environmental samples, such as river water, is important to obtain information about the composition and monitoring of potential contamination.[2] High-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GFAAS) is widely used for Cd determination. However, the determination of this element at trace-level can be challenging, especially in complex matrices. Thus, nanoparticles (NPs) can be used as an alternative for the extraction and preconcentration of Cd in environmental samples, minimizing the potential interferences and improving the method´s limit of detection (LOD). Considering that Pd is also widely used as a “universal” chemical modifier, this project aims todevelop PdNPs capped with 3-mercaptopropionic acid (MPA) to assess its potential as a chemical modifier and preconcentration agent for Cd determination by HR-CS GF AAS in river water. In this way, the synthesis of PdNPs was performed in an aqueous medium by using ascorbic acid as a reducing agent. The characterization of PdNPs was performed by checking the size via dynamic light scattering (DLS), transmission electron microscopy (TEM), and inductively coupled plasma mass spectrometer in single particle mode (spICP-MS), where the median size was 56 ± 14 nm. The temperature program of HR-CS GFAAS was optimized for river water under three conditions: using Pd(NO3)2/Mg2+ (0.01%/0.5% m/v) as a chemical modifier (condition A), using Pd NPs as a chemical modifier (condition B), and without chemical modifiers (condition C). The pyrolysis and atomization temperatures for condition A were 900 and 1900 ºC, for condition B were 700 ºC and 1900 ºC, and for condition C were 500 and 1900ºC, respectively. Besides the temperature of pyrolysis for the universal chemical modifier being higher than that of PdNPs, using the PdNPs, the absorbance is significantly greater, according to the t-test for pairs, at a 95% confidence level. In addition, the evaluation of the preconcentration property of the PdNP was performed by adding 1 µg L-1 of Cd2+ in buffer pH 4 in two systems: one with and the other without PdNPs. After 1 h of stirring, both systems were centrifuged at 3600 rpm for 10 min, and the absorbance in HR-CS GFAAS for Cd in both supernatants was evaluated. According to ANOVA from the t-test, at a 95% confidence level, there was a significant difference in the absorbance, indicating that Cd is interacting with the PdNPs. A multifactorial planning 2k, where k is the number of parameters of the extraction, which was time of extraction (10; 35; 60 min), Volume of Pd NPs (100; 300; 500 µL), pH (3; 5; 7), was used to evaluate the parameters with significant influence in the preconcentration of Cd2+. According to ANOVA, with 95% confidence, there is no lack of fit, and the parameters volume of PdNP and pH significantly influenced the response. In this way, the Doehlert methodology surface will be applied to both significant parameters. The goal is to achieve optimal conditions that increase the extraction efficiency of Cd2+ from environmental samples. The results indicate that the developed material is promising to use as a chemical modifier and for the preconcentration of Cd2+ in environmental samples. T2 - 17th Rio Symposium on Atomic Spectrometry (RSAS 2025) CY - Sao Pedro, Brazil DA - 12.11.2025 KW - Pd Nanoparticles KW - HR-CS GFAAS KW - Cadmium Ion Sensing KW - Particle Characterization KW - Particle Surface PY - 2025 AN - OPUS4-64997 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Batatia, Ilyes A1 - Benner, Philipp A1 - Chiang, Yuan A1 - Elena, Alin M. A1 - Kovács, Dávid P. A1 - Riebesell, Janosh A1 - Advincula, Xavier R. A1 - Asta, Mark A1 - Avaylon, Matthew A1 - Baldwin, William J. A1 - Berger, Fabian A1 - Bernstein, Noam A1 - Bhowmik, Arghya A1 - Bigi, Filippo A1 - Blau, Samuel M. A1 - Cărare, Vlad A1 - Ceriotti, Michele A1 - Chong, Sanggyu A1 - Darby, James P. A1 - De, Sandip A1 - Della Pia, Flaviano A1 - Deringer, Volker L. A1 - Elijošius, Rokas A1 - El-Machachi, Zakariya A1 - Fako, Edvin A1 - Falcioni, Fabio A1 - Ferrari, Andrea C. A1 - Gardner, John L. A. A1 - Gawkowski, Mikołaj J. A1 - Genreith-Schriever, Annalena A1 - George, Janine A1 - Goodall, Rhys E. A. A1 - Grandel, Jonas A1 - Grey, Clare P. A1 - Grigorev, Petr A1 - Han, Shuang A1 - Handley, Will A1 - Heenen, Hendrik H. A1 - Hermansson, Kersti A1 - Ho, Cheuk Hin A1 - Hofmann, Stephan A1 - Holm, Christian A1 - Jaafar, Jad A1 - Jakob, Konstantin S. A1 - Jung, Hyunwook A1 - Kapil, Venkat A1 - Kaplan, Aaron D. A1 - Karimitari, Nima A1 - Naik, Aakash A. A1 - Csányi, Gábor T1 - A foundation model for atomistic materials chemistry N2 - Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model—and its qualitative and at times quantitative accuracy—on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or “foundation” model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields. KW - Materials Design KW - Thermal Conducitivity KW - Nanoparticles KW - Batteries PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647829 DO - https://doi.org/10.1063/5.0297006 SN - 0021-9606 VL - 163 IS - 18 SP - 1 EP - 89 PB - AIP Publishing AN - OPUS4-64782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bresch, Harald T1 - The digital product passport N2 - This presentation contains information for industry and the scientific communitiy about the new digital product passport and the demands from the EU. Furthermore a short overview is given about the different supporting activities which are currently under developement by BAM. T2 - 3. Netzwerktag Cluster Nanotechnologie CY - Würzburg, Germany DA - 02.07.2025 KW - DPP KW - ESPR KW - Product Passport KW - Ökodesignrichtlinie KW - DMP PY - 2025 AN - OPUS4-64964 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - del Rocío Silva-Calpa, Leydi A1 - de Souza Bernardes, Andrelaine A1 - de Avillez, Roberto Ribeiro A1 - Smales, Glen J. A1 - Camarena, Mariella Alzamora A1 - Ramos Moreira, Carla A1 - Zaitsev, Volodymyr A1 - Archanjo, Braulio Soares A1 - Letichevsky, Sonia T1 - From support to shell: An innovative design of air-stable nano zero-valent iron–nickel catalysts via structural self-assembly N2 - This work presents the design of air-stable core–shell zero-valent iron–nickel nanofilaments supported on silica and zeolite, developed to overcome the oxidation limitations of nano zero-valent iron in environmental catalysis. The nanofilaments feature ∼ 100 nm iron–nickel cores surrounded by ultrafine iron-rich threads embedded with aluminates and silicates, originating from partial support dissolution during synthesis. By varying the iron reduction time, three catalysts were prepared: one on silica reduced for 30 min, and two on zeolite reduced for 30 and 15 min. They were thoroughly characterized using nitrogen physisorption, X-ray diffraction, electron microscopy with elemental analysis, Mössbauer spectroscopy, and small-angle X-ray scattering. The zeolite-supported catalyst reduced for 15 min showed the highest activity for hexavalent chromium reduction (rate constant 8.054 min−1), attributed to a higher fraction of reactive iron–nickel phases formed under shorter reduction. Its tailored core–shell structure improves air stability and surface reactivity, highlighting its potential as a next-generation zero-valent iron nanocatalyst for aqueous remediation KW - nanofilaments KW - Core–shell nanostructures KW - Air-stable nanomaterials KW - Structure-controlled FeNi nanoparticles KW - Hexavalent chromium reduction KW - X-ray scattering KW - MOUSE PY - 2025 DO - https://doi.org/10.1016/j.mtcomm.2025.114142 SN - 2352-4928 VL - 49 SP - 1 EP - 15677 PB - Elsevier Ltd. AN - OPUS4-65087 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Berry, Charlotte A. A1 - Reinart, Katre A1 - Smales, Glen J. A1 - Wilkinson, Holly N. A1 - Hardman, Matthew J. A1 - Marchesini, Sofia A1 - Lee, William A1 - Nery, Eveliny Tomás A1 - Moghaddam, Zarrin A1 - Hoxha, Agron A1 - Felipe-Sotelo, Mónica A1 - Gutierrez-Merino, Jorge A1 - Carta, Daniela T1 - Hierarchically porous copper and gallium loaded sol–gel phosphate glasses for enhancement of wound closure N2 - In this work, we have developed hierarchically porous phosphate-based glasses (PPGs) as novel materials capable of promoting wound closure and simultaneously delivering antibacterial effects at the glass-biological tissue interface. PPGs are characterised by extended porosity, which enhances the controlled release of therapeutic ions, whilst facilitating cell infiltration and tissue growth. Two series of PPGs in the systems P2O5–CaO–Na2O–CuO and P2O5–CaO–Na2O–Ga2O3 with (CuO and Ga2O3 0, 1, 5 and 10 mol%) were manufactured using a supramolecular sol–gel synthesis strategy. Significant wound healing promotion (up to 97%) was demonstrated using a human ex vivo wound model. A statistically significant reduction of the bacterial strains Staphylococcus aureus and Escherichia coli was observed in both series of PPGs, particularly those containing copper. All PPGs exhibited good cytocompatibility on keratinocytes (HaCaTs), and analysis of PPG dissolution products over a 7-day period demonstrated controlled release of phosphate anions and Ca, Na, Cu, and Ga cations. These findings indicate that Cu- and Ga-loaded PPGs are promising materials for applications in soft tissue regeneration given their antibacterial capabilities, in vitro biocompatibility with keratinocytes and ex vivo wound healing properties at the biomaterial-human tissue interface. KW - Porous glass KW - Phosphates KW - Wound healing materials KW - Antibacterial KW - X-ray scattering KW - MOUSE PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650867 DO - https://doi.org/10.1039/d5tb01945a SN - 2050-750X VL - 13 IS - 48 SP - 15662 EP - 15677 PB - Royal Society of Chemistry (RSC) AN - OPUS4-65086 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sun, Yijuan A1 - Pérez-Padilla, Víctor A1 - Valderrey, Virginia A1 - Bell, Jérémy A1 - Gawlitza, Kornelia A1 - Rurack, Knut T1 - Ratiometric detection of perfluoroalkyl carboxylic acids using dual fluorescent nanoparticles and a miniaturised microfluidic platform N2 - The widespread contamination of soil and water with perfluoroalkyl substances (PFAS) has caused considerable societal and scientific concern. Legislative measures and an increased need for remediation require effective on-site analytical methods for PFAS management. Here we report on the development of a green-fluorescent guanidine-BODIPY indicator monomer incorporated into a molecularly imprinted polymer (MIP) for the selective detection of perfluorooctanoic acid (PFOA). Complexation of PFOA by the indicator, which is mediated by concerted protonation-induced ion pairing-assisted hydrogen bonding, significantly enhances fluorescence in polar organic solvents. The MIP forms as a thin layer on silica nanoparticles doped with tris(bipyridine)ruthenium(II) chloride, which provides an orange emission signal as internal reference, resulting in low measurement uncertainties. Using a liquid-liquid extraction protocol, this assay enables the direct detection of PFOA in environmental water samples and achieves a detection limit of 0.11 µM. Integration into an opto-microfluidic system enables a compact and user-friendly system for detecting PFOA in less than 15 minutes. KW - PFAS KW - Molecular imprinting KW - Microfluidics KW - Fluorescence KW - Onsite assay PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650270 DO - https://doi.org/10.1038/s41467-025-66872-9 SN - 2041-1723 VL - 16 IS - 1 SP - 1 EP - 16 PB - Springer Science and Business Media LLC AN - OPUS4-65027 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rodríguez-Sánchez, Noelia A1 - Prinz, Carsten A1 - Bienert, Ralf A1 - Ballesteros, Menta A1 - Ruiz Salvador, A. Rabdel A1 - Bhattacharya, Biswajit A1 - Emmerling, Franziska T1 - Mechanochemical ZIF-9 formation: in situ analysis and photocatalytic enhancement evaluation N2 - Efficient treatment of persistent pollutants in wastewater is crucial for sustainable water management and environmental protection. This study addresses this challenge by investigating the mechanochemical synthesis and photocatalytic performance of ZIF-9, a cobalt-based zeolitic imidazolate framework. Using synchrotron-based powder X-ray diffraction, we provide real-time insights into the formation dynamics of ZIF-9 during mechanosynthesis. Our results show that mechanochemically synthesised ZIF-9 exhibits superior photocatalytic activity compared to its solvothermally prepared counterpart, achieving a 2-fold increase in methylene blue degradation rate. This research not only advances our understanding of the synthesis and properties of ZIF-9, but also demonstrates the potential of mechanochemical approaches in the development of high-performance, sustainably produced materials for water treatment and other environmental applications. KW - MOFs KW - ZIF KW - Time-resolved in situ investigation KW - Photocatalysis synchrotron X-ray powder diffraction PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641416 DO - https://doi.org/10.1039/D4MR00114A SN - 2976-8683 VL - 2 IS - 1 SP - 116 EP - 126 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-64141 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heinekamp, Christian A1 - Palmer, Tahlia M. A1 - Al‐Sabbagh, Dominik A1 - May, Anastasia A1 - Prinz, Carsten A1 - Michalik, Stefan A1 - Michalchuk, Adam A. L. A1 - Emmerling, Franziska T1 - Pre‐Activation as a Route for Tuning the Kinetics of Mechanochemical Transformations N2 - Learning to control reaction kinetics is essential for translating any chemical technology into real‐world application. Based on time‐resolved in situ powder X‐ray diffraction data, we demonstrate the opportunity to tune mechanochemical reaction rates through the pre‐activation of the starting reagents. For three model co‐crystal systems, the pre‐activation of the most stable reagent yields up to a ca 10‐fold increase in the reaction rate, whilst negligible kinetic enhancement is seen when the less stable reagent is pre‐activated. Moreover, we demonstrate how the polymorphic outcome of mechano‐co‐crystallization is also sensitive to pre‐activation of the starting material. Our results suggest that reproducibility of mechanochemical processes requires detailed understanding over the origin and history of reagent powders, whilst providing a new conceptual framework to design and control mechanochemical reactions. KW - Mechanochemistry KW - In situ synthesis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649409 DO - https://doi.org/10.1002/anie.202516632 SN - 1433-7851 SP - 1 EP - 7 PB - Wiley VHC-Verlag AN - OPUS4-64940 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kostenko, Yevgen T1 - Harmonizing Viscoplastic Material Model Application within the BMBF-Project “DigitalModelling” of the Platform Material Digital- Basic Idea, General Strategy and Current Status N2 - For decades, Germany stands for excellent cutting-edge research in the field of so-called higher-value constitutive visco-plastic material models and can draw on a large and globally unique pool of material data. However, both the data and the model structure are extremely heterogeneous and sometimes fundamentally different from research center to research center and from industrial partner to industrial partner. To address the heterogeneity in the material model landscape appropriately, an adaptable material model for the specific application and the specific material is required. The relevant parameters for the adapted material model must be identified as objectively and automatically as possible. To achieve a potentially real-time capable implementation, the material model equation system should be abstracted. The “DigitalModeling” project, organized within the German Platform initiative Material Digital, aims to create a standard and an interface that harmonize the scientific and technical development of constitutive, visco-plastic material models, increase their visibility and maximize the productivity of future research funding. This presentation summarizes the basic idea, the strategy behind it as well as the current status of the project, which was started beginning of 2024. T2 - vgbe Workshop with Technical Exhibition Materials & Quality Assurance CY - Bergen, Norway DA - 07.05.2025 KW - Visco-plastic Material Model KW - Simulation Workflows KW - Ontologies KW - Digitalization PY - 2025 AN - OPUS4-64043 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Oliveira Guilherme Buzanich, Ana T1 - Bridging Structure and Electronic State: Real-time XES–XRD Fusion for Functional Alloys N2 - We present a unified X-ray Emission Spectroscopy (XES) and X-ray Diffraction (XRD) approach for real-time, in situ characterization of materials, demonstrated on Co₂FeSi Heusler alloys under varied heat treatments. The combination of XES and XRD is particularly well-suited to Heusler alloys, where subtle changes in atomic ordering and electronic structure (e.g. site occupancy, hybridization, and spin state) are tightly interdependent and critical for their magnetic and transport properties. In addition, this method enables more efficient materials design by reducing experimental iterations through comprehensive structural and electronic analysis. Developed at the mySpot beamline at BESSY-II, the platform integrates (a) digital twin-based experiment planning, (b) open-source XES spectral simulations, (c) an optimized single-shot, two-element XES setup with sub-pixel resolution for enhanced energy precision, and (d) result-driven beamtime utilization. With an unprecedented synchronized XES-XRD platform, we aim to shed light on how diffusion-controlled processes in Heusler alloys and double perovskites at elevated temperatures establish the formation of specific phases with distinct structure types in real time. This, in turn, strongly impacts the functional properties of the materials under scrutiny. T2 - XLIV Colloquium Spectroscopicum Internationale CY - Ulm, Germany DA - 27.07.2025 KW - Multimodal KW - X-ray spectroscopy KW - X-ray diffraction KW - Functional alloys PY - 2025 AN - OPUS4-63991 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pavlidis, Sotirios A1 - Teutloff, Christian A1 - de Oliveira Guilherme Buzanich, Ana A1 - Krause, Konstantin B. A1 - Emmerling, Franziska A1 - Bittl, Robert A1 - Abbenseth, Josh T1 - A Crystalline Bismuth(II) Radical Anion: Synthesis, Characterization, and Reactivity N2 - AbstractWe report the synthesis of a planarized tris‐amidobismuthane supported by a rigid, bulky NNN pincer ligand, which enforces a T‐shaped geometry at the bismuth center. The Bi(NNN) complex features a low‐lying LUMO with distinct Bi(6p) orbital character as shown by DFT calculations. Cyclic voltammetry reveals a fully reversible one‐electron reduction at E1/2 = –1.85 V versus Fc0/+ in THF. Chemical reduction with KC8 in the presence of 4,7,13,16,21,24‐hexaoxa‐1,10‐diazabicyclo[8.8.8]hexacosane (222‐crypt) enables the isolation of an unprecedented Bi(II) radical anion in high isolated yields. Multi‐frequency EPR, X‐ray absorption spectroscopy and SQUID magnetometry complemented by theoretical calculations confirm localization of the unpaired electron on the bismuth center. Preliminary reactivity studies display radical reactivity as shown by single‐electron transfer chemistry and radical coupling reactions. KW - Bi(III) PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-644143 DO - https://doi.org/10.1002/anie.202515545 SN - 1433-7851 VL - 64 IS - 49 SP - 1 EP - 6 PB - Wiley VHC-Verlag AN - OPUS4-64414 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bernardino, Carolina T1 - Effortless Antimicrobial Shield: Spray-coated Silica Nanoparticles For Safer High-touch Surfaces N2 - Functional films with tailored interfacial properties play a pivotal role for the development of next generation surface coatings, particularly in healthcare-related environments. In this contribution, we present a facile spray-coating method for the creation of antimicrobial thin films on high-touch surfaces using mesoporous silica nanoparticles (MSNs) that were specifically functionalized to enable strong adhesion and sustained release of metal-based antimicrobial agents. The process is scalable and addresses key challenges in adhesion control, film homogeneity, and long-term antimicrobial function against a large range of key pathogens responsible for nosocomial infections. Three distinct types of MSNs – bearing amine (MSN-NH₂), carboxy (MSN-COOH), and thiol (MSN-SH) surface groups – were synthesized to optimize both metal ion loading and interactions with polyelectrolyte-based adhesion layers. These surface modifications not only provide chemical handles for Cu²⁺ and Ag⁺ ion coordination but also modulate nanoparticle-substrate interactions and dispersion behavior during film formation. The coating architecture consists of a two-step process: first, spray deposition of polyelectrolyte primers that anchor strongly to stainless steel substrates; second, a nanoparticle layer that bonds electrostatically and chemically to the primer, forming robust films with great surface coverage. The films were characterized to assess structural integrity, adhesion, and functional performance. Transmission electron microscopy (TEM) and N₂ sorption analysis confirmed the mesoporous structure. ATR-FTIR and zeta potential measurements validated surface functionalization and colloidal stability. Environmental SEM revealed conformal coating across the stainless-steel surfaces with uniform nanoparticle distribution. The coating's adhesion strength was maintained through mechanical wiping and simulated wear and abrasion tests, demonstrating film durability relevant in real-world use scenarios. Antimicrobial testing under semi-dry, application-relevant conditions showed excellent performance for Ag⁺-loaded MSN-SH films, inhibiting growth of Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, and Candida albicans. These results highlight the synergistic role of surface chemistry, metal ion loading, and film-substrate adhesion in creating effective and wear-resistant functional coatings. Moreover, these films do not show any cytotoxic properties towards Human Dermal Fibroblasts (HDF). This study contributes new insights into the design of multifunctional films where adhesion, surface functionality, and scalable processing are co-optimized for enhanced performance and shows how combining tailored surface chemistry and wide-ranging antimicrobial activity brings together smart material design for practical and safe use. T2 - MRS Fall Meeting 2025 CY - Boston, MA, USA DA - 30.11.2025 KW - Mesoporous silica nanoparticles KW - Silver KW - Antimicrobial KW - Coatings KW - Thin film PY - 2025 AN - OPUS4-65150 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zaki, Mohammad A1 - Prinz, Carsten A1 - Ruehle, Bastian T1 - A Self-Driving Lab for Nano- and Advanced Materials Synthesis N2 - The recent emergence of self-driving laboratories (SDL) and material acceleration platforms (MAPs) demonstrates the ability of these systems to change the way chemistry and material syntheses will be performed in the future. Especially in conjunction with nano- and advanced materials which are generally recognized for their great potential in solving current material science challenges, such systems can make disrupting contributions. Here, we describe in detail MINERVA, an SDL specifically built and designed for the synthesis, purification, and in line characterization of nano- and advanced materials. By fully automating these three process steps for seven different materials from five representative, completely different classes of nano- and advanced materials (metal, metal oxide, silica, metal organic framework, and core–shell particles) that follow different reaction mechanisms, we demonstrate the great versatility and flexibility of the platform. We further study the reproducibility and particle size distributions of these seven representative materials in depth and show the excellent performance of the platform when synthesizing these material classes. Lastly, we discuss the design considerations as well as the hardware and software components that went into building the platform and make all of the components publicly available. KW - Self-driving laboratories KW - Materials acceleration platforms KW - Nanomaterials KW - Advanced materials KW - Automation KW - Robotics KW - In-line characterization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627361 DO - https://doi.org/10.1021/acsnano.4c17504 SN - 1936-086X VL - 19 IS - 9 SP - 9029 EP - 9041 PB - ACS Publications CY - Washington, DC AN - OPUS4-62736 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Karafiludis, Stephanos A1 - Standl, Jacob A1 - Ryll, Tom W. A1 - Schwab, Alexander A1 - Prinz, Carsten A1 - Wolf, Jakob B. A1 - Kruschwitz, Sabine A1 - Emmerling, Franziska A1 - Völker, Christoph A1 - Stawski, Tomasz M. T1 - High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization N2 - Transition metal phosphates (TMPs) are extensively explored for electrochemical and catalytical applications due to their structural versatility and chemical stability. Within this material class, novel high-entropy metal phosphates (HEMPs)─containing multiple transition metals combined into a single-phase structure─are particularly promising, as their compositional complexity can significantly enhance functional properties. However, the discovery of suitable HEMP compositions is hindered by the vast compositional design space and complex or very specific synthesis conditions. Here, we present a data-driven strategy combining automated wet-chemical synthesis with a Sequential Learning App for Materials Discovery (SLAMD) framework (Random Forest regression model) to efficiently explore and optimize HEMP compositions. Using a limited set of initial experiments, we identified multimetal compositions in a single-phase crystalline solid. The model successfully predicted a novel Co0.3Ni0.3Fe0.2Cd0.1Mn0.1 phosphate octahydrate phase, validated experimentally, demonstrating the effectiveness of the machine learning approach. This work highlights the potential of integrating automated synthesis platforms with data-driven algorithms to accelerate the discovery of high-entropy materials, offering an efficient design pathway to advanced functional materials. KW - Metal phosphates KW - High entropy KW - Sequential learning KW - Automated synthesis KW - MAP KW - Random forest KW - Machine learning PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641554 DO - https://doi.org/10.1021/acs.cgd.5c00549 SN - 1528-7483 VL - 25 IS - 19 SP - 7989 EP - 8001 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-64155 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arai, Marylyn S. A1 - Brambilla, Gabriel V. A1 - Corrêa, Bruna Carolina A1 - Merízio, Leonnam G. A1 - Inada, Natalia M. A1 - de Camargo, Andrea S. S. T1 - A Dual-Mode “Turn-On” Ratiometric Luminescent Sensor Based on Upconverting Nanoparticles for Detection and Differentiation of Gram-Positive and Gram-Negative Bacteria N2 - Infectious bacterial diseases, intensified by antibiotic resistance, cause millions of deaths annually and pose risks beyond human health, including water and food contamination. Current diagnostics are often slow, require complex equipment, and lack specificity, highlighting the need for rapid and reliable detection methods. To address this, we developed a luminescent sensor based on NaYF4 upconverting nanoparticles (UCNPs) doped with Er3+ or Tm3+, coated with COOH-PEG4-COOH, and functionalized with vancomycin (Van) or polymyxin-B (Poly) to selectively target Gram-positive and Gram-negative bacteria, respectively. Gold nanoparticles (AuNPs) served as quenchers, enabling a ratiometric “turn-on” mechanism: upon bacterial binding, the UCNP emission, initially quenched by AuNPs, was partially restored. This allowed Differentiation through changes in the green/red (G/R) ratio for Er-UCNP@PEG4-Van and the blue/red (B/R) ratio for Tm-UCNP@PEG4-Poly. The sensor distinguished between Gram-positive and Gram-negative bacteria over a wide concentration range (0.05 to 5 × 105 CFU/mL) and showed high correlation with actual bacterial counts (r = 0.99 for S. aureus, r = 0.91 for E. coli). This platform is a potential fast, selective, and reliable tool for bacterial detection in clinical and environmental settings. KW - Lminescent sensor KW - Upconverting nanoparticles KW - Gram-positive and Gram-negative bacteria KW - Ratiometric luminescent sensors PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652785 DO - https://doi.org/10.1021/acsomega.5c07006 SN - 2470-1343 VL - 10 IS - 39 SP - 46040 EP - 46050 PB - American Chemical Society (ACS) AN - OPUS4-65278 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arai, Marylyn Setsuko A1 - Machado, Thales Rafael A1 - da Silva, Beatriz Giacomelli Rodrigues A1 - Vilela, Raquel Riciati do Couto A1 - de Camargo, Andrea Simone Stucchi A1 - Zucolotto, Valtencir T1 - Biomimetic Upconverting Nanoplatforms for Glioblastoma Bioimaging and Targeted Therapy N2 - Infectious bacterial diseases, intensified by antibiotic resistance, cause millions of deaths annually and pose risks beyond human health, including water and food contamination. Current diagnostics are often slow, require complex equipment, and lack specificity, highlighting the need for rapid and reliable detection methods. To address this, we developed a luminescent sensor based on NaYF4 upconverting nanoparticles (UCNPs) doped with Er3+ or Tm3+, coated with COOH-PEG4-COOH, and functionalized with vancomycin (Van) or polymyxin-B (Poly) to selectively target Gram-positive and Gram-negative bacteria, respectively. Gold nanoparticles (AuNPs) served as quenchers, enabling a ratiometric “turn-on” mechanism: upon bacterial binding, the UCNP emission, initially quenched by AuNPs, was partially restored. This allowed differentiation through changes in the green/red (G/R) ratio for Er-UCNP@PEG4-Van and the blue/red (B/R) ratio for Tm-UCNP@PEG4-Poly. The sensor distinguished between Gram-positive and Gram-negative bacteria over a wide concentration range (0.05 to 5 × 105 CFU/mL) and showed high correlation with actual bacterial counts (r = 0.99 for S. aureus, r = 0.91 for E. coli). This platform is a potential fast, selective, and reliable tool for bacterial detection in clinical and environmental settings. KW - Glioblastoma KW - Homotypic targeting KW - Cell membrane coating KW - Upconverting nanoparticles KW - Temozolamide KW - Near infrared bioimaging KW - Drug delivery PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652808 DO - https://doi.org/10.1021/acsanm.5c04567 SN - 2574-0970 VL - 10 IS - 39 SP - 1 EP - 13 PB - American Chemical Society (ACS) AN - OPUS4-65280 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea A1 - Arai, Marylyn Setsuko T1 - Upconversion nanoparticles for chemical, physical and biological sensing: from functionalization to point-of-care devices N2 - Among several applications, versatile upconversion nanoparticles (UCNPs) which can convert lower-energy infrared radiation into higher-energy visible or ultraviolet light, have emerged as one of the most powerful tools in the field of chemical, physical and biological sensing. The use of UCNPs in fluorescent sensors allows non-invasive, highly sensitive, and selective detection methods, which are particularly beneficial in environments requiring minimal interference and high precision for analytes that can range from metal ions to biomolecules. In this lecture, an overview and the state of the art will be given, accompanied by examples of our recent contributions to key areas such as chronic disease diagnostics, bacterial sensing, and multifunctionally responsive nanoplatforms: (1) An Enhanced Luminescence Lateral-Flow Assay (ELLA) designed for rapid (< 15 min) and early detection of acute kidney injury biomarkers in urine samples, using a commercial cell phone camera, will be presented. The platform is based on Er³⁺- and Tm³⁺-doped UCNPs whose emissions intensities are 40-fold enhanced by an Au-coated mesoporous silica shell, enabling the accurate detection of KIM-1 and NGAL biomarkers with detection limits as low as 0.23 ng/mL; (2) Also, a multifunctional nanoplatform that combines Tm³⁺-doped UCNPs with a Cu(I) complex for applications in oxygen sensing, optical thermometry, and emission colour tuning will be presented. The platform utilizes Luminescent Resonance Energy Transfer (LRET) to achieve efficient energy transfer, enabling red emission from the Cu(I) complex while allowing the use of the UCNP’s original emissions for thermometry. The dual functionality allows sensitive O2 detection and temperature measurements, with relative sensitivities of up to 1% K⁻¹; (3) The critical challenge of rapid bacterial detection and differentiation was addressed by the development of a novel UCNP-based sensor. By functionalizing UCNPs with the antibiotics - vancomycin for Gram-(+) and polymyxin-B for Gram-(-), and using Au nanoparticles as intensity quenchers, the sensor leverages a ratiometric "turn-on" mechanism for selective detection of the bacteria, through changes in the green/red (G/R) ratio for Er-UCNP@PEG4-Van, and blue/red (B/R) ratio for Tm-UCNP@PEG4-Poly. By this approach, differentiation was possible over a wide concentration range of bacteria (0.05 to 5 x 105 CFU/mL) with high correlation with actual bacterial counts (r = 0.99 for S. aureus, r = 0.91 for E. coli); (4) Recently, we have demonstrated a water dispersable ratiometric pH-nanosensor based on host-guest interaction of Tm3+/Yb3+ co-doped UCNPs functionalized with b-cyclodextrin (b-CD) and a pH-responsive nitrobenzoxadiazol dye modified with adamantane (NBD-Ad). The sensor shows a ratiometric emission response (blue/red) over a pH range of 8.0 – 11.0 with high reproducibility, excellent reusability and selectivity, even in the presence of interferents. Together, the presented examples highlight the versatility and potential of UCNPs to develop novel sensors, offering measurable advances in diagnostics, environmental monitoring, and beyond. T2 - Shift2025 - Spectral shaping for biomedical and energy applications CY - Tenerife, Spain DA - 13.10.2025 KW - Upconverting nanoparticles KW - Fluorescent sensors KW - Point-of-care devices PY - 2025 AN - OPUS4-65282 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hallier, Dorothea C. A1 - Radnik, Jörg A1 - Dietrich, Paul M. A1 - Seitz, Harald A1 - Hahn, Marc Benjamin T1 - Radiation damage to amino acids, peptides and DNA-binding proteins: the influence of water directly monitored by X-ray photoelectron spectroscopy N2 - Ionizing radiation damage to biomolecules plays a crucial role in radiotherapy as a cancer treatment. Among these, DNA-binding proteins are of particular interest due to their pivotal roles in shielding DNA and facilitating its repair. Hence, in this study, we present first-ever recorded data of radiation damage to a protein monitored directly with near-ambient pressure (NAP) X-ray photoelectron spectroscopy (XPS) under a water atmosphere. This surface sensitive technique was used to in situ damage and probe gene-V protein (G5P, a model DNA-binding protein) under wet NAP conditions and dry vacuum (UHV) conditions to determine the effect of water on the radiation response. In addition, the X-ray radiation damage to selected pure amino acids and short homopeptides was determined to better understand the variety of damage mechanisms within the complex protein. In dry samples, drastic chemical changes were detected in all biomolecules dominated by fragmentation processes. Here, the breakage of peptide bonds in the peptides and the protein are dominant. Surprisingly, hydration – despite introducing additional indirect damage pathways via water radiolysis – led to a reduction in overall radiation damage. This behaviour was attributed to hydration-dependent changes in reaction rates and respective deexcitation and damaging channels within the molecules and secondary species such as low-energy (LEE), (pre)-hydrated/(pre)-solvated electrons and radical species such as hydroxyl radicals. KW - Radiation damage KW - (Near-ambient pressure) X-ray photoelectron spectroscopy KW - Ultra-high vacuum PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647565 DO - https://doi.org/10.1039/d5cp01887k VL - 27 IS - 48 SP - 1 EP - 22 PB - Royal Society of Chemistry AN - OPUS4-64756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Amiri, Hesam A1 - Nikookhesal, Aidin A1 - Murugan, Divagar A1 - Scholz, Stefan A1 - Frentzen, Michael A1 - Cao, Yuan A1 - Nickl, Philip A1 - Radnik, Jörg A1 - Stockmann, Jörg M. A1 - Vu, Xuan-Thang A1 - Narayanan, Madaboosi S. A1 - Knoch, Joachim A1 - Ingebrandt, Sven A1 - Adeli, Mohsen A1 - Pachauri, Vivek T1 - High precision correlative analysis of dielectric behavior evolution and anisotropy in graphene oxide thin film as a function of thermal annealing parameters N2 - Graphene oxide (GO) and reduced graphene oxide (rGO) attract keen interest from different science and technology sectors owing to their tunable material characteristics dependent on C/O ratio. Thermal annealing in different gaseous environments serves as an effective approach to manipulate the C/O ratio in graphitic lattice, making it suitable for various electronic, optical and composites applications. Despite regular use of thermal annealing, systematic studies on dielectric properties evolution in GO against different annealing parameters remain elusive. This work reports on a reliable approach that adopts a joint Raman Spectroscopy, Mueller Matrix Spectroscopic Ellipsometry (MMSE) and high-precision electrical impedance spectroscopy (HP-EIS) framework for studying the evolution of dielectric behavior and anisotropies in GO. The experimental platform involved lithography-defined GO patterns connected to metal microelectrodes and glass passivation for protection from gaseous environments during annealing and measurements using Raman, MMSE and HP-EIS. The presented study delineates the effects of annealing parameters such as temperature, heating rate, and gaseous environment on GO permittivity. Novel findings include the discovery of a direct relationship between heating rate and dielectric properties, as well as determination of vertical limitation of MMSE for permittivity distribution characterization in GO, for the first time, to be around 8 nm. KW - Thermal annealing KW - Reduced graphene oxide KW - Thin films KW - 2D materials KW - Spectroscopic ellipsometry PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652428 DO - https://doi.org/10.1016/j.nwnano.2025.100130 SN - 2666-9781 VL - 11 SP - 1 EP - 10 PB - Elsevier Ltd. AN - OPUS4-65242 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tavernaro, Isabella A1 - Rajotte, Isabelle A1 - Thibeault, Marie-Pier A1 - Sander, Philipp C. A1 - Kodra, Oltion A1 - Lopinski, Gregory A1 - Radnik, Jörg A1 - Johnston, Linda J. A1 - Brinkmann, Andreas A1 - Resch-Genger, Ute T1 - Quantifying surface groups on aminated silica nanoparticles of different size, surface chemistry, and porosity with solution NMR, XPS, optical assays, and potentiometric titration N2 - We assessed the quantification of surface amino functional groups (FGs) for a large set of commercial and custom-made aminated silica nanoparticles (SiO2 NPs) with sizes of 20–100 nm, prepared with different sol–gel routes, different amounts of surface amino FGs, and different porosity with four methods providing different, yet connected measurands in a bilateral study of two laboratories, BAM and NRC, with the overall aim to develop standardizable measurements for surface FG quantification. Special emphasis was dedicated to traceable quantitative magnetic resonance spectroscopy (qNMR) performed with dissolved SiO2 NPs. For the cost efficient and automatable screening of the amount of surface amino FGs done in a first step of this study, the optical fluorescamine assay and a potentiometric titration method were utilized by one partner, i.e., BAM, yielding the amount of primary amino FGs accessible for the reaction with a dye precursor and the total amount of (de)protonatable FGs. These measurements, which give estimates of the minimum and maximum number of surface amino FGs, laid the basis for quantifying the amount of amino silane molecules with chemo-selective qNMR with stepwise fine-tuned workflows, involving centrifugation, drying, weighting, dissolution, measurement, and data evaluation steps jointly performed by BAM and NRC. Data comparability and relative standard deviations (RSDs) obtained by both labs were used as quality measures for method optimization and as prerequisites to identify method-inherent limitations to be later considered for standardized measurement protocols. Additionally, the nitrogen (N) to silicon (Si) ratio in the near-surface region of the SiO2 NPs was determined by both labs using X-ray photoelectron spectroscopy (XPS), a well established surface sensitive analytical method increasingly utilized for microparticles and nano-objects which is currently also in the focus of international standardization activities. Overall, our results underline the importance of multi-method characterization studies for quantifying FGs on NMs involving at least two expert laboratories for effectively identifying sources of uncertainty, validating analytical methods, and deriving NM structure–property relationships. KW - Advanced Materials KW - Amino Groups KW - Calibration KW - Characterization KW - Functional groups KW - Method Comparison KW - Nano Particle KW - Validation KW - XPS KW - Optical Assay KW - Quantification KW - Surface Analysis KW - Reference Materials KW - Synthesis KW - Fluorescence PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649992 DO - https://doi.org/10.1039/d5na00794a VL - 7 IS - 21 SP - 6888 EP - 6900 PB - Royal Society of Chemistry AN - OPUS4-64999 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schusterbauer, Robert A1 - Schünemann, Pia A1 - Nickl, Philip A1 - Er, Jasmin A1 - Kämmer, Victoria A1 - Junge, Florian A1 - Fazzani, Salim A1 - Mrkwitschka, Paul A1 - Meermann, Björn A1 - Haag, Rainer A1 - Donskyi, Ievgen T1 - Bifunctional Reduced Graphene Oxide Derivatives for PFOA Adsorption N2 - Innovative materials are crucial for removing persistent pollutants per‐ and polyfluorinated alkyl substances (PFAS) from water. Here, a novel bifunctional reduced graphene oxide (TRGO) adsorbent is developed and characterized by advanced surface sensitive methods. Compared to pristine TRGO, the functionalized TRGO shows markedly improved PFAS removal efficiency and demonstrates strong potential for water purification applications. KW - Adsorber KW - PFAS KW - HR-CS-GFMAS PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651238 DO - https://doi.org/10.1002/ceur.202500240 SN - 2751-4765 SP - 1 EP - 7 PB - Wiley VHC-Verlag AN - OPUS4-65123 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - The emp project smurfnano – Standardizing the quantification of surface functionalities, ligands, and coatings on nanomaterials N2 - For industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage, meanwhile engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated. NP function, interaction with biological species, and environmental fate are largely determined by surface functionalities. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, and mandatory to meet increasing concerns regarding their safety. Also, industry, international standardization organizations, regulatory agencies, and policymakers need validated and standardized measurement methods and reference materials. These needs are addressed by the recently started European metrology project SMURFnano involving 12 partners from different National Metrology Institutes, designated institutes, and research institutes, two university groups as well as one large company and one SME producing NPs. This project as well as first results derived from the development of test and reference materials with a well characterized surface chemistry and ongoing interlaboratory comparisons will be presented. T2 - LNE Workshop CY - Paris, France DA - 04.11.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Surface KW - Standardization KW - Reference material KW - Functional group KW - Quantification KW - Coating KW - Automation KW - Potentiometry KW - Method KW - Validation KW - Optical assay KW - Fluram KW - qNMR KW - Comparison KW - ILC PY - 2025 AN - OPUS4-64725 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scholtz, Lena T1 - Standardized Measurements of Surface Functionalities on Nanoparticles N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely and commonly fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage. NP function, their interaction with biological species, and also their environmental fate are largely determined by the surface functionalities of the particles. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, determination of their applicability, and mandatory to meet increasing concerns regarding their safety. In addition, industry as well as international standardization organizations, regulatory agencies, and policymakers need validated and standardized measurement methods and reference materials. However, methodologies for determining NP surface properties, including the amount, chemical composition, and homogeneity of surface functionalities and coatings are largely non-standardized up until now. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR), as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. The latter, typically less costly methods are often used by SMEs, e.g., for quality control. To validate methods, establish measurement uncertainties, test reference materials, and produce reference data, international interlaboratory comparisons (ILC) on NP surface functionalization measurements are required to provide well characterized test and reference nanomaterials including benchmark values.[1] These needs are addressed by the current European metrology project SMURFnano, involving 12 partners from different National Metrology Institutes, designated and research institutes, two university groups as well as one large company and one SME producing NPs. This project, as well as first results derived from the development of test and reference materials with a well characterized surface chemistry, and ongoing interlaboratory comparisons, will be presented. T2 - eMRS - Fall Meeting 2025 CY - Warsaw, Poland DA - 15.09.2025 KW - Nano KW - Particle KW - Silica KW - Polymer KW - Metrology KW - Quality assurance KW - Reference material KW - Surface chemistry KW - Size KW - Shape KW - Particle number concentration KW - Method KW - Optical assay KW - qNMR KW - Validation KW - Potentiometry KW - XPS PY - 2025 AN - OPUS4-64243 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - Advanced Materials for the Energy Transition N2 - Advanced Materials are crucial for the sucess of the energy transition. 10 relevant advanced materials were chosen and their role for relevant technologies was analysed. Challenges regarding their safe and sustainable use are discussed. T2 - OECD WPMN SG Advanced Materials Teleconference CY - Online meeting DA - 30.09.2025 KW - Solar Cells KW - Advanced Carbon Materials KW - Fuel Cells KW - Batteries KW - Hydrogen Storage PY - 2025 AN - OPUS4-64306 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hülagü, Deniz A1 - Hirahara, Kenta A1 - Fischer, Daniel A1 - Florian, Camilo A1 - Schusterbauer, Robert A1 - Ermilova, Elena A1 - Krüger, Jörg A1 - Unterreiner, Andreas-Neil A1 - Bonse, Jörn A1 - Hertwig, Andreas T1 - Using imaging ellipsometry to understand femtosecond laser materials processing of group IV materials N2 - Laser materials processing is an important tool for creating and shaping new materials. Laser machining, especially with ultrashort pulses offers the modification of surfaces, thin coatings, and bulk materials with an unprecedented precision and control. The most desired feature of pulsed laser processing in the femtosecond range is that the heat-affected zone in the irradiated material will be extremely small. To better understand the mechanisms involved during laser irradiation, it is important to analyse the outcome of light-matter interaction with spectroscopic methods. Ellipsometry, especially spectroscopic imaging ellipsometry (SIE), has become an important tool for this in recent times, as it gives access to local layer thicknesses, materials dielectric functions, and features like changes in surface roughness. This work includes an overview over our recent studies examining near-infrared fs-laser surface processing of different group IV materials. The superficial phase change of silicon from crystalline to amorphous has been investigated in the past as the result of laser processing strongly depends on the crystal orientation. Moreover, SIE is capable of determining the properties of buried a-Si interfaces with micrometer lateral and sub-nanoneter vertical precision. Additionally, the growth of native and laser-induced oxides can be revealed. T2 - ICSE10 - 10th International Conference on Spectroscopic Ellipsometry CY - Boulder, CO, USA DA - 08.06.2025 KW - Laser surface ablation KW - Amorphous Carbon KW - Silicon KW - Correlative Imaging Ellipsometry PY - 2025 AN - OPUS4-63633 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tavernaro, Isabella T1 - Quantifying the Total and Accessible Number of Surface Functional Groups and Ligands on Engineered Nanomaterials Using a Multimodal Approach N2 - Functionalized nanomaterials (NM) with their unique size-dependent properties are of increasing relevance for current and future developments in various fields such as medical and pharmaceutical industry, computing, electronics or food and consumer products. For instance, NMs are used as drug carriers, fluorescent sensors, and multimodal labels in bio-analytical assays and imaging applications. The performance and safety of NMs are influenced by their intrinsic physicochemical properties. Among these, the surface chemistry of the particles, which is largely determined by the chemical nature and density of functional groups and ligands, plays a crucial role in enhancing the stability, and processability of NMs, as well as their interactions with the environment. Thus, particle standards with well-designed surfaces and methods for functional group quantification can foster the sustainable development of functional and safe(r) NM.[1] To develop simple, versatile, and multimodal tools for quantifying various bioanalytically relevant functional groups (FG) such as amine,[2,3] carboxy,[2] thiol, and aldehyde[4] functionalities, we explored and compared several analytical methods. These methods included electrochemical titration, dye-based optical assays, and other instrumental techniques like nuclear magnetic resonance, mass spectrometry, and thermal analysis. Our multimodal approach’s potential for FG quantification was demonstrated using both commercial and custom-made polymeric and silica particles with different densities of functional groups. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Quality Assurance KW - Nano Particle KW - qNMR KW - Potentiometry KW - Reference Material KW - Surface Analysis KW - Advance Materials KW - Functional Group KW - Silica KW - Synthesis KW - Optical Assays KW - Reference Data PY - 2025 AN - OPUS4-65000 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - The SMURFnano project - standardized measurements of surface functionalities on nanoparticles N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, optoelectronics, and information storage. NP function, interaction with biological species, and environmental fate are largely determined by surface functionalities. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, and mandatory to meet increasing concerns regarding their safety. Also, industry, international standardization organizations, regulatory agencies, and policymakers need validated and standardized measurement methods and reference materials. However, methodologies for determining NP surface properties, including the amount, chemical composition, and homogeneity of surface functionalities and coatings are largely non-standardized. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR) as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. The latter less costly methods are often used by SMEs, e.g., for quality control. To validate methods, establish measurement uncertainties, test reference materials, and produce reference data, international interlaboratory comparisons (ILC) on NP surface functionalization measurements are required and well characterized test and reference nanomaterials providing benchmark values.[1] These needs are addressed by the recently started European metrology project SMURFnano involving 12 partners from different National Metrology Institutes, designated institutes, and research institutes, two university groups as well as one large company and one SME producing NPs. This project as well as first results derived from the development of test and reference materials with a well characterized surface chemistry and ongoing interlaboratory comparisons will be presented. T2 - eMRS CY - Strasbourg, France DA - 27.05.2025 KW - Quality assurance KW - Reference analysis KW - Standardization KW - Metrology KW - Reference products KW - Reference materials KW - Mission KW - Surface chemistry KW - Nano KW - Particle KW - qNMR KW - XPS KW - Fluorescence KW - Optical assays KW - Interlaboratory comparison KW - Uncertainty PY - 2025 AN - OPUS4-63243 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute A1 - Tavernaro, Isabella A1 - Abram, Sarah-Luise A1 - Homann, Christian A1 - Scholtz, Lena A1 - Radnik, Jörg T1 - Validated and standardized measurements and quantification of surface functionalities on nanoparticles N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage which improve the quality of life and European prosperity. Nanoparticle function, interaction with biological species, and environmental fate are largely determined by surface functionalities. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, and mandatory to meet increasing concerns regarding their safety. Also, industry, regulatory agencies, and policymakers need validated traceable measurement methods and reference materials. Industry, e.g., must comply with various regulations, including the chemicals´ regulation REACH (2006/1907) and cosmetic products regulation (2009/1223), depending on the use. Therefore, standardization organizations such as the European Committee for Standardization (CEN), the International Organization for Standardization (ISO), and the International Electrotechnical Commission (IEC) as well as industrial stakeholders, European Medicine Agency (EMA), and the nanosafety community responsible for guidelines for nanomaterial (NM) regulation like the Organisation for Economic Co-operation and Development (OECD) have expressed needs for standardized methodologies to measure NP surface chemical properties. Despite these needs, methodologies for determining NP surface properties, including the amount, chemical composition, and homogeneity of surface functionalities and coatings are largely non-standardized. Specifically, validated quantitative procedures for the measurement of thickness and composition of nanoparticle coatings and other surface functionalities are needed. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR) as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. The latter less costly methods are often used by SMEs, e.g., for quality control. To validate methods, establish measurement uncertainties, test reference materials, and produce reference data, international interlaboratory comparisons (ILC) on NP surface functionalization measurements are required. These needs have been addressed by us in two interlaboratory comparisons, that will be presented. In addition, the European metrology project SMURFnano will be briefly presented involving 12 partners from different National Metrology Institutes, designated institutes, and research institutes, two university groups as well as one large company and one SME producing NPs. T2 - NanoCarbon Annual Conference 2025 CY - Würzburg, Germany DA - 18.03.2025 KW - Nano KW - Particle KW - Silica KW - Quality assurance KW - Reference material KW - Surface chemistry KW - Size KW - Shape KW - Particle number concentration KW - Method KW - Optical assay KW - QNMR KW - Validation KW - Potentiometry KW - XPS PY - 2025 AN - OPUS4-62790 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Brinkmann, A. T1 - A qNMR Method for Quantification of Surface Functional Groups on Silica Nanoparticles: Bilateral Comparisons N2 - Nanomaterials (NM) of different size, shape, morphology, composition, and surface chemistry are used in a wide range of applications, including medical diagnostics, and imaging and consumer products. The importance of an adequate and reliable characterization is crucial for quality control during NM production, for ensuring an optimum function for the desired application, and for risk assessment studies. Currently there is a lack of reliable and validated methods and reference materials for quantifying NM surface functional groups, despite the importance of surface chemistry for the production of colloidally stable materials, further processing steps, and the interaction with the environment and biological species. Following our initial study on the use of qNMR for quantifying the amount of amino groups on surface modified silica (1), we have carried out two bilateral comparisons between NRC and BAM to further develop and optimize a reliable protocol for these measurements (2,3), using aminated silica nanoparticles prepared by multiple methods, both commercial and in-house synthesized, and with varying amine content. Solution qNMR is based on dissolving aminated silica nanoparticles in strong base to release the surface grafted amino silane molecules, followed by the quantification of these molecules by solution qNMR using an internal standard. This method provides the amount of total amino groups present in the sample, which can differ from probe accessible or surface-sensitive measurements performed with X-Ray photoelectron spectroscopy (XPS). Complementary measurements using optical assays, involving a labeling step with a dye reporter, and XPS are employed to assess the probe accessible and surface amine content for representative samples. These measurements, which illustrate the advantages and potential limitations of the different characterization methods, will contribute to establish a basis for testing the protocol in an international inter-laboratory comparison and for standardization at ISO Technical Committee 229 – Nanotechnologies. T2 - BERM CY - Halifax, Canada DA - 01.06.2025 KW - Quality assurance KW - Nano KW - Particle KW - Synthesis KW - Advanced materials KW - Characterization KW - Electron microscopy KW - Silica KW - Surface KW - qNMR KW - Optical assay KW - Interlaboratory comparison KW - Metrology KW - Standardization PY - 2025 AN - OPUS4-63527 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tavernaro, Isabella A1 - Abram, Sarah-Luise A1 - Homann, Christian A1 - Scholtz, Lena A1 - Radnik, Jörg A1 - Resch-Genger, Ute T1 - Validated and standardized measurements and quantification of surface functionalities on nanoparticles N2 - Surface-functionalized organic and inorganic engineered nanomaterials (NMs) are widely applied in the life and materials sciences. NM performance depends on key factors such as particle size and shape, crystal phase, morphology, chemical composition, and surface chemistry, i.e., surface coatings, functional groups (FGs), and ligands.1 The latter controls their processability and interaction with the environment and largely their possible toxicity. Thus, methods for FG quantification are important tools for quality control of NM production processes and can foster the sustainable development of functional and safe(r) NMs. This underlines the importance of validated and standardized analytical methods for surface analysis and reference materials.2 This encouraged us to explore simple and versatile tools for quantifying common bioanalytically relevant FGs such as optical assays, electrochemical titration methods, quantitative nuclear magnetic resonance spectroscopy (qNMR), and X-Ray photoelectron spectroscopy (XPS) and to perform a first interlaboratory comparison (ILC) on surface FG quantification.3,4 In a follow-up ILC, BAM and NRC explored qNMR sample preparation, measurement, and data evaluation protocols for commercial and custom-made aminated SiO2 NPs with sizes of 20-100 nm, different amounts of surface amino FGs, and different porosity.5,6 First, the number of amino FGs accessible for a dye reporter was determined with a cost-efficient, automated optical fluorescamine assay. Then, qNMR workflows and protocols were stepwise fine-tuned. The qNMR ILC was complemented by joint XPS measurements. BAM also examined the applicability of fast and automatable potentiometric titrations to screen the total amount of (de)protonable FGs on aminated SiO2 NPs. Our results underline the need to evaluate protocols for FG quantification in ILCs and the advantages of multi-method characterization strategies for efficient method cross validation. T2 - Surface and Micro/Nano Analysis Working Group CY - Paris, France DA - 08.04.2025 KW - Quality assurance KW - Reference material KW - Fluorescence KW - Nano KW - Particle KW - Surface analysis KW - XPS KW - Traceability KW - Metrology KW - Calibration KW - Reference data KW - Reference product KW - Digital certificate KW - QNMR KW - Potentiometry PY - 2025 AN - OPUS4-62969 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Portesi, C. T1 - qNMR for standardised measurements of surface functionalities on nanoparticles N2 - Engineered nanoparticles have a large application potential in fields such as medicine, sensing, catalysis, energy storage, and opto-electronics [1]. The applicability and performance of engineered nanoparticles is largely determined by their surface chemistry, i.e. functional groups and ligands on the particle surface. However, documented standards to quantify functional groups and ligands currently do not exist. Such standards are required to support quality control of nanomaterial production and surface modification processes, and safe-by-design concepts and to meet regulatory requirements. Here, this issue is addressed by developing and standardizing quantitative Nuclear Magnetic Resonance (qNMR) methods for the characterization of surface functionalized nanoparticles which specifically address the determination of the amount and chemical composition of surface functionalities and coatings. This work is being developed under the EMP project 23NRM02 SMURFnano - Standardised measurements of surface functionalities on nanoparticles. qNMR competence of 7 qNMR laboratories involved in the project was first tested with a molecular model sample i.e. citrate, to be assessed in terms of purity. Citrate is often used as hydrophilic surface ligand for different nanoparticles. Then, the first nanoparticle samples, here a set of aminated SiO2 NPs [1] with a particle size of 100 nm and two amino group densities, prepared and characterized by BAM regarding size and surface charge as well as stability over 21 months with an optical assay and qNMR, were assessed in an international interlaboratory comparison (ILC) on qNMR. Thereby, the amount of surface amino groups introduced by grafting of the silica cores with different amounts of 3-aminopropyl)triethoxysilane (APTES) was quantified by each participant following a sample preparation protocol previously developed by BAM and NRC.The results of the ILC were then used to refine the protocol for sample preparation and to identify critical points for qNMR measurement and data analysis. This work will contribute to the development of a Preliminary Work Item (PWI) 19257 (ISO/TC 229) on surface functional groups and coatings on nano-objects. Also, it will lay the groundwork to perform ILCs on the quantification and determination of the amount of surface functional groups under the roof of VAMAS TWA2 (Surface Chemical Analysis) for different types of nanomaterials possessing industry-relevant surface functionalities using qNMR. These ILCs will be complemented by other techniques like X-Ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). T2 - BERM CY - Halifax, Canada DA - 01.06.2025 KW - Quality assurance KW - Nano KW - Particle KW - Synthesis KW - Advanced materials KW - Characterization KW - Electron microscopy KW - Silica KW - Surface KW - qNMR KW - Optical assay KW - Interlaboratory comparison KW - Metrology KW - Validation KW - Standardization PY - 2025 AN - OPUS4-63443 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Quantifying the total and accessible amount of surface functionalities and ligands on nano-materials: Overview and recommended methods N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage. NP function, interaction with biological species, and environmental fate are largely determined by surface functionalities. This calls for reliable, reproducible, and standardized surface characterization methods, which are vital for quality control of NPs, and mandatory to meet increasing concerns regarding their safety. Validated and standardized workflows for surface analysis are also increasingly requested by industry, international standardization organizations, regulatory agencies, and policymakers. To establish comparable measurements of surface functionalities across different labs and ease instrument performance validation, reference test materials and reference materials of known surface chemistry as well as reference data are needed. In the following, different methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques are presented and discussed regarding method-inherent advantages and limitations. Special emphasis is dedicated to traceable quantitative nuclear magnetic resonance (qNMR), X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. T2 - LNE Workshop CY - Paris, France DA - 04.11.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Characterization KW - Advanced material KW - Surface KW - Standardization KW - Reference material KW - Functional group KW - Quantification KW - Coating KW - Automation KW - Potentiometry KW - Method KW - Validation KW - Optical assay KW - Fluram KW - Fluorescamine KW - qNMR KW - Comparison KW - ILC PY - 2025 AN - OPUS4-64726 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Standardized Measurements of Surface - Functionalities on Nanoparticles N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, optoelectronics, and information storage. NP function, interaction with biological species, and environmental fate are largely determined by surface functionalities. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, and mandatory to meet increasing concerns regarding their safety. Also, industry, international standardization organizations, regulatory agencies, and policymakers need validated and standardized measurement methods and reference materials. However, methodologies for determining NP surface properties, including the amount, chemical composition, and homogeneity of surface functionalities and coatings are largely non-standardized. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR) as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. The latter less costly methods are often used by SMEs, e.g., for quality control. To validate methods, establish measurement uncertainties, test reference materials, and produce reference data, international interlaboratory comparisons (ILC) on NP surface functionalization measurements are required and well characterized test and reference nanomaterials providing benchmark values.[1] These needs are addressed by the recently started European metrology project SMURFnano involving 12 partners from different National Metrology Institutes, designated institutes, and research institutes, two university groups as well as one large company and one SME producing NPs. This project as well as first results derived from the development of test and reference materials with a well characterized surface chemistry and ongoing interlaboratory comparisons will be presented. T2 - eMRS CY - Strasbourg, France DA - 27.05.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Silica KW - Upconversion nanoparticles KW - Optical assay KW - qNMR KW - Surface analysis KW - Ligand KW - Quantification KW - Functional group KW - XPS KW - ToF-SIMS KW - Polymer particle KW - Surface modification KW - Potentiometry KW - Metrology KW - Method KW - Validation KW - ILC PY - 2025 AN - OPUS4-63339 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Standardized Measurements of Surface Functionalities on Nanoparticles - F. Synthesis and characterization of functional nanocomposite materials N2 - Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely and commonly fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage. NP function, their interaction with biological species, and also their environmental fate are largely determined by the surface functionalities of the particles. Reliable, reproducible, and standardized surface characterization methods are therefore vital for quality control of NPs, determination of their applicability, and mandatory to meet increasing concerns regarding their safety. In addition, industry as well as international standardization organizations, regulatory agencies, and policymakers need validated and standardized measurement methods and reference materials. However, methodologies for determining NP surface properties, including the amount, chemical composition, and homogeneity of surface functionalities and coatings are largely non-standardized up until now. Suitable methods for determining surface functionalities on ligand-stabilized core and core/shell NPs include advanced techniques such as traceable quantitative nuclear magnetic resonance (qNMR), as well as X-ray electron spectroscopy (XPS) and time of flight secondary ion mass spectrometry (ToF-SIMS), and simpler optical and electrochemical methods. The latter, typically less costly methods are often used by SMEs, e.g., for quality control. To validate methods, establish measurement uncertainties, test reference materials, and produce reference data, international interlaboratory comparisons (ILC) on NP surface functionalization measurements are required to provide well characterized test and reference nanomaterials including benchmark values.[1] These needs are addressed by the current European metrology project SMURFnano, involving 12 partners from different National Metrology Institutes, designated and research institutes, two university groups as well as one large company and one SME producing NPs. This project, as well as first results derived from the development of test and reference materials with a well characterized surface chemistry, and ongoing interlaboratory comparisons, will be presented. T2 - Shift 2025 CY - La Laguna, Tenerife DA - 13.10.2025 KW - Nano KW - Particle KW - Silica KW - Iron oxide KW - Lanthanide KW - Metrology KW - Quality assurance KW - Reference material KW - Surface chemistry KW - Size KW - Shape KW - Particle number concentration KW - Method KW - Optical assay KW - qNMR KW - Validation KW - Potentiometry KW - XPS KW - ILC KW - Standardization PY - 2025 AN - OPUS4-64370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Guitton-Spassky, Tiffany A1 - Schade, Boris A1 - Zoister, Christian A1 - Veronese, Eleonora A1 - Rosati, Marta A1 - Baldelli Bombelli, Francesca A1 - Cavallo, Gabriella A1 - Thünemann, Andreas A1 - Ghermezcheshme, Hassan A1 - Makki, Hesam A1 - Netz, Roland R. A1 - Ludwig, Kai A1 - Metrangolo, Pierangelo A1 - Singh, Abhishek Kumar A1 - Haag, Rainer T1 - Fluorinated Hexosome Carriers for Enhanced Solubility of Drugs N2 - Designing nanomaterials for drug encapsulation is a crucial, yet challenging, aspect for pharmaceutical development. An important step is synthesizing amphiphiles that form stable supramolecular systems for efficient drug loading. In the case of fluorinated drugs, these have superior properties and also a tendency toward reduced water solubility. For the first time, we report here fluorinated hexosome carriers made from nonionic dendritic amphiphiles, capable of encapsulating the fluorinated drug Leflunomide with high efficiency (62 ± 3%) and increasing its solubility by 12-fold. We synthesized amphiphiles with varying tail groups (fluorinated/alkylated), and their supramolecular self-assembly was investigated using cryogenic transmission electron microscopy and small-angle X-ray scattering. Furthermore, Leflunomide and its equivalent nonfluorinated counterpart were encapsulated within fluorinated and nonfluorinated assemblies. Self-assembly and encapsulation mechanisms were well supported by coarse-grained molecular simulations, yielding a fundamental understanding of the new systems. KW - PEFAS KW - Small-angle X-ray scattering KW - SAXS KW - Reference method PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-632002 DO - https://doi.org/10.1021/jacsau.5c00198 SN - 2691-3704 VL - 5 IS - 5 SP - 2223 EP - 2236 PB - American Chemical Society (ACS) CY - Washington, DC AN - OPUS4-63200 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, Qiang A1 - Heuchel, Matthias A1 - Thünemann, Andreas A1 - Machatscheck, Rainhard T1 - The role of diffusion in the hydrolytic degradation of poly(lactic-co-glycolic acid): A molecular perspective N2 - This research emphasizes the importance of internal surface erosion as a key factor in the hydrolytic degradation of PLGA (poly(D,L-lactic-co-glycolic acid)) providing an alternative view of the established surface and bulk erosion degradation modes. Using molecular dynamics (MD) simulations, this study reveals the role of water and oligomer diffusion during the degradation of PLGA and highlights the importance of water channels formed as the overall water content increases. We found that these continuous water channels play a crucial role in accelerating the transport of water and the release of degradation products from the polymer matrix, as the diffusion coefficients of water and small oligomers exhibit significant differences spanning 2 to 3 orders of magnitude between the water and polymer phases. Water follows a different diffusion mechanism than polymer fragments. The diffusion rate of the fragments up to a size of octamers was found to be size-dependent and reasonably well approximated by a 1/N behavior, in line with the Rouse model. KW - Small-angle X-ray scattering KW - SAXS KW - Nanostructure KW - PLGA PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-621250 DO - https://doi.org/10.1016/j.polymdegradstab.2024.111119 VL - 232 SP - 1 EP - 12 PB - Elsevier Ltd. AN - OPUS4-62125 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lange, Alyna A1 - Holtzheimer, Lea A1 - Clarke, Coby A1 - Thünemann, Andreas A1 - Taubert, Andreas T1 - Complex Self-Organization in n-Alkylammonium Sulfobetaine Zwitterions with High Thermal Stabilities and High Expansion Coefficients N2 - Sulfobetaine zwitterions made from n-alkyl dimethylamines and butanesultone yield a series of n-alkylammonium sulfobetaine zwitterions with complex self-organization behavior. The compounds are thermally quite stable and the length of the alkyl chain directly affects all phase transition temperatures of the compounds: the longer the alkyl chain, the higher the transition temperature. All compounds exhibit lamellar order and the different phases are characterized by a lower temperature orthorhombic and a higher temperature hexagonal in-plane order. The phase transition from the orthorhombic to the hexagonal phase is always associated with an increase of the long period. The phase transition is also associated with a rather high thermal expansion coefficient. KW - SAXS KW - Small-angle X-ray scattering KW - Nanostructure PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626276 DO - https://doi.org/10.1021/acs.langmuir.4c02892 SN - 1520-5827 VL - 41 SP - 4422 EP - 4434 PB - American Chemical Society (ACS) AN - OPUS4-62627 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kieserling, Helena A1 - Sieg, Holger A1 - Heilscher, Jasmin A1 - Drusch, Stephan A1 - Braeuning, Albert A1 - Thünemann, Andreas A1 - Rohn, Sascha T1 - Towards Understanding Particle-Protein Complexes: Physicochemical, Structural, and Cellbiological Characterization of β-Lactoglobulin Interactions with Silica, Polylactic Acid, and Polyethylene Terephthalate Nanoparticles N2 - Nanoplastic particles and their additives are increasingly present in the food chain, interacting with biomacromolecules with not yet known consequences. A protein corona forms around the particles in these usually complex matrices, primarily with a first contact at surface-active proteins. However, systematic studies on the interactions between the particles and proteins –especially regarding protein affinity and structural changes due to surface properties like polarity – are limited. It is also unclear whether the protein corona can "mask" the particles, mimic protein properties, and induce cytotoxic effects when internalized by mammalian cells. This study aimed at investigating the physicochemical properties of model particle-protein complexes, the structural changes of adsorbed proteins, and their effects on Caco-2 cells. Whey protein β-lactoglobulin (β-Lg) was used as a well-characterized model protein and studied in a mixture with nanoparticles of varying polarity, specifically silica, polylactic acid (PLA), and polyethylene terephthalate (PET). The physicochemical analyses included measurements of the hydrodynamic diameter and the zeta potential, while the protein conformational changes were analyzed using Fourier-transform-infrared spectroscopy (FTIR) and intrinsic fluorescence. Cellular uptake in Caco-2 cells was assessed through flow cytometry, cell viability was measured using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium-bromide (MTT) assay, and cellular impedance was analyzed with xCELLigence® technology. The results indicated that β-Lg had the highest affinity for hydrophilic silica particles, forming silica-β-Lg complexes and large aggregates through electrostatic interactions. The affinity decreased for PLA and was lowest for hydrophobic PET, which formed smaller complexes. Adsorption onto silica caused partial unfolding and refolding of β-Lg. The silica-β-Lg complexes were internalized by Caco-2 cells, impairing cell proliferation. In contrast, PLA- and PET-protein complexes were not internalized, though PLA complexes slightly reduced cell viability. This study enhances our understanding of protein adsorption on nanoparticles and its potential biological effects. KW - Nanoplastics KW - Microplastics KW - Reference materials KW - Scattering KW - DLS PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630093 DO - https://doi.org/10.1016/j.colsurfb.2025.114702 SN - 1873-4367 VL - 253 SP - 1 EP - 12 PB - Elsevier BV CY - Amsterdam AN - OPUS4-63009 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -