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 - 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 - 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 - TY - JOUR A1 - Giannakopoulos, Antonios E. A1 - Zisis, Athanasios A1 - Zervaki, Anna D. A1 - Dimopoulos, Christos D. A1 - Platypodis, Efstathios A1 - Eberwein, Robert T1 - Effective elastic moduli and failure mechanisms of a random assembly of thin walled glass microbubbles N2 - In this work a methodology is presented to estimate the elastic properties and failure mechanisms of an assembly of random, brittle microbubbles. The approach is based on the mechanics of frictionless micro-contact between hollow spherical shells by employing relations from classical shell theory and verified by two dimensional axisymmetric Finite Elements. The estimated values are in agreement with available experimental values. Moreover, a granular type analytical homogenization model provides an isotropic elastic constitutive law to be used for the macroscopic deformation of an assembly of glass micro-bubbles when it is compressed by external loads. In addition, approximate estimates are also proposed for two important micro-failure mechanisms of such assemblies that relate either to the splitting or to the buckling of a brittle spherical shell, prior its complete crushing. The results are novel and are expected to enhance the application of glass microbubbles directly in acute thermal insulation problems such as liquid hydrogen storage. KW - LH2 KW - Cryogenic Vessels KW - Insulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634354 DO - https://doi.org/10.1016/j.ijsolstr.2025.113528 SN - 0020-7683 VL - 320 SP - 1 EP - 11 PB - Elsevier BV CY - Amsterdam AN - OPUS4-63435 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Shasmal, Nilanjana T1 - Effects of Direct femtosecond laser writing on chloroborosilicate glasses doped with Eu3+/Eu2+ and CdS quantum dots N2 - Femtosecond (fs) direct laser writing (DLW) is a promising technique for developing nano-inhomogeneous materials with advanced optical properties and for fabricating novel photonic devices such as integrated waveguides, ultrafast optical switches, phase plates, and 3D optical memory. In this study, DLW was applied to chloroborosilicate glasses that were singly and co-doped with Eu and CdS quantum dots (QDs). The glasses were laser-treated within a very narrow range of experimental conditions, resulting in laser-inscribed sites exhibiting enhanced emission, similar to the glass-ceramics crystallized from the as-prepared glass. In the regions crystalized by DLW a significant reduction of Eu3+ to Eu2+ was verified by photoluminescence spectroscopy. However, the characteristics of the emission bands of Eu2+ changed markedly in the laser-treated sites as compared to the emission spectra of the same glass crystallized by heat treatment. A considerable redshift and splitting of the emission band were observed, attributed to changes in the surrounding environment of the rare earth (RE) ions which was, in turn, attributed to an alteration in the coordination number of Ba2 + and/or Eu2+ as a result of the high-power laser treatment. Although there was an issue with homogeneity of the glass in the micro-level, which restricts some of the aspects of the DLW, these findings suggest the potential for structural modifications through laser treatment, which could be harnessed to create new functionalities for advanced optical applications. T2 - ICG 2025 (27th International Congress on Glass) CY - Kolkata, India DA - 20.01.2025 KW - Femtosecond direct laser writing KW - DLW KW - CdS quantum dots KW - Eu/CdS co-doped glass PY - 2025 AN - OPUS4-65285 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ankli, P. P. A1 - Abdelwahab, A. A. A1 - Logachov, A. A1 - Bugiel, R. A1 - Drobne, D. A1 - Novak, S. A1 - Kranjc, E. A1 - Saje, S. A1 - Pellegrino, F. A1 - Alladio, E. A1 - Sordello, F. A1 - Corrao, E. A1 - Hodoroaba, Vasile-Dan A1 - Radnik, Jörg A1 - Mrkwitschka, Paul A1 - Madbouly, Loay Akmaal A1 - Akdemir, Yücel A1 - Gulumian, M. A1 - Wepener, V. A1 - Andraos, C. A1 - Boodhia, K. A1 - Jones, E. A1 - Doolin, A. A1 - Leuchtenberg, K. A1 - Valsami Jones, E. A1 - Rocca, C. A1 - Ibrahim, B. A1 - Singh, D. A1 - Chakraborty, S. A1 - Jurkschat, K. A1 - Johnston, C. A1 - Van Der Zande, M. A1 - Fernandez, D. A1 - Queipo, P. A1 - Clifford, C. A1 - Hardy, B. T1 - Knowledge Infrastructure supporting image-based characterisation of 2D graphene materials N2 - As part of the European Horizon ACCORDs project, advanced methods are being developed for the image-based characterisation of 2D nanomaterials. Given the complexity of this task, robust nd wellorganised data management is critical to ensuring high-quality outcomes. To support this, we have established a knowledge infrastructure that serves as the central repository for protocols, images and experimental data which are stored in a standardised, harmonised manner and in accordance with the FAIR principles – Findable, Accessible, Interoperable and Reusable and open science. This machine-readable framework enables the systematic and computationally automated correlation of image features with experimental descriptors, facilitating accurate material characterisation and transparent reporting which is all integrated in the ACCORDs KI. KW - Graphene-related 2D materials (GR2M) KW - 2D materials KW - Knowledge infrastructure KW - Characterisation PY - 2025 DO - https://doi.org/10.1016/j.toxlet.2025.07.660 SN - 0378-4274 VL - 411 SP - S281 EP - S282 PB - Elsevier B.V. AN - OPUS4-65061 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ciornii, Dmitri A1 - Hodoroaba, Vasile-Dan A1 - Wachtendorf, Volker A1 - Fengler, Petra A1 - Altmann, Korinna T1 - Interlaboratory Comparison Reveals State of the Art in Microplastic Detection and Quantification Methods N2 - In this study, we investigate the current accuracy of widely used microplastic (MP) detection methods through an interlaboratory comparison (ILC) involving ISO-approved techniques. The ILC was organized under the prestandardization platform of VAMAS (Versailles Project on Advanced Materials and Standards) and gathered a large number (84) of analytical laboratories across the globe. The aim of this ILC was (i) to test and to compare two thermo-analytical and three spectroscopical methods with respect to their suitability to identify and quantify microplastics in a water-soluble matrix and (ii) to test the suitability of the microplastic test materials to be used in ILCs. Two reference materials (RMs), polyethylene terephthalate (PET) and polyethylene (PE) as powders with rough size ranges between 10 and 200 μm, were used to press tablets for the ILC. The following parameters had to be assessed: polymer identity, mass fraction, particle number concentration, and particle size distribution. The reproducibility, SR, in thermo-analytical experiments ranged from 62%−117% (for PE) and 45.9%−62% (for PET). In spectroscopical experiments, the SR varied between 121% and 129% (for PE) and 64% and 70% (for PET). Tablet dissolution turned out to be a very challenging step and should be optimized. Based on the knowledge gained, development of guidance for improved tablet filtration is in progress. Further, in this study, we discuss the main sources of uncertainties that need to be considered and minimized for preparation of standardized protocols for future measurements with higher accuracy. KW - Microplastics KW - Interlaboratory comparison KW - PlasticsFatE KW - PET KW - PE KW - Reference materials KW - VAMAS KW - Thermo-analytical methods KW - Spectroscopical methods PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630462 DO - https://doi.org/10.1021/acs.analchem.4c05403 SN - 1520-6882 VL - 97 SP - 8719 EP - 8728 PB - ACS Publications AN - OPUS4-63046 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Radnik, Jörg A1 - Hodoroaba, Vasile-Dan T1 - Reliable physico–chemical characterisation of graphene-related and other 2D materials: present and future N2 - In the path of commercialisation of graphene-related and other 2D materials the consolidation has begun. In this phase, it is important to build trust between the individual partners in the product value chain. This requires trustworthy statements based on reliable and reproducible material characterisation. The first steps have been taken to measure graphene and other related 2D materials (GR2Ms) under well-defined conditions. Measurands and protocols for key methods were made available for this purpose. But there are still some challenges to overcome such as (i) reference materials, (ii) reference data, (iii) reproducibility throughout the workflow, (iv) credible structure-activity relationships, bringing the standards to (v) the factory floor and to (vi) real-word products. In addition, 2D materials beyond graphene should also be considered exploiting the knowledge gained from the characterisation of GR2M. KW - 2D Materials KW - Commercialisation KW - Standardisation KW - Trust PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638122 DO - https://doi.org/10.1088/2053-1583/aded9d SN - 2053-1583 VL - 12 IS - 4 SP - 1 EP - 8 PB - IOP Publishing AN - OPUS4-63812 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -