TY - CONF A1 - Cakir, Cafer Tufan T1 - Enhancing the Efficiency and Accessibility of Grazing Exit X-ray Absorption Spectroscopy for Corrosion and Layered Materials Analysis N2 - In the field of materials science, there is a critical need for efficient and effective characterization techniques, especially in the investigation of corrosion processes of compositionally complex alloys (CCAs) or the analysis of layered structures. This talk presents an advanced approach that combines grazing-exit X-ray absorption near-edge structure spectroscopy (GE-XANES) with Bayesian optimization (BO) to significantly improve the efficiency of data acquisition while retaining the depth-resolved, element-specific analysis capabilities that are critical for studying these materials under ambient conditions. Using a non-destructive, scan-free GE-XANES setup coupled with a pnCCD detector and grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry, our method enables precise analysis at sub-micrometer depths without the need for high vacuum environments or extensive sample preparation. The integration of BO reduces experimental time by a factor of 50, overcoming the practical limitations of conventional GE-XANES and increasing its applicability in the study of surface catalysis and corrosion processes. We validate this optimized approach through comparative studies on a CrCoNi alloy and a reference layered sample, demonstrating its potential to revolutionize materials analysis by increasing both efficiency and accessibility. T2 - Gesellschaft Deutscher Chemiker (GDCh) CY - Clausthal-Zellerfeld, Germany DA - 20.06.2024 KW - GEXRF KW - GEXANE KW - ML PY - 2024 AN - OPUS4-61788 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Soraya T1 - Enzyme activity determination of human monoamine oxidase B (Mao B) by amperometric hydrogen peroxide detection N2 - Parkinson’s disease (PD) is one of the most common neurodegenerative disorders worldwide. About 0.3 % of the global population and approximately 2 % of people older than 80 years are affected by PD. Monoamine oxidase B (Mao B) is an enzyme, which is a drug target in Parkinson’s disease (PD), since it is involved in dopamine metabolism. Several Mao B inhibitors are well established as medication for PD patients. However, the medical treatment is only little personalized since the monitoring of the patients Mao B activity is complex and requires sophisticated laboratory equipment. Here a sensorial Mao B activity determination system has been developed which has potential in the personalization of the medical PD treatment. The enzyme activity is quantified by amperometric detection of enzymatically produced H2O2. Therefore, the enzyme is enriched from the solution via cellulose particles which are functionalized with antibodies against human Mao B. The successful capturing of the enzyme can be verified by SDS-PAGE. For activity determination the enzyme is brought in contact with a suitable substrate - here benzylamine. Selectivity of the amperometric hydrogen peroxide detection in the presence of co-reactants has been verified. Within the time span of 30 min, a linear dependency of enzymatically produced H2O2 with the substrate incubation time can be observed. This allows the evaluation of the Mao B activity. The results have been correlated to an optical detection method. Furthermore, the method has been tested for different amounts of enzyme used in the experiments and found to be sensitive enough for Mao B analysis in blood samples. T2 - European Biosensor Symposium 2021 CY - Online meeting DA - 09.03.2021 KW - Monoamine oxidase B KW - Amperometry KW - Prussian blue KW - Parkinsons's disease KW - Screen-printed electrodes PY - 2021 N1 - Geburtsname von Riedel, Soraya: Höfs, S. - Birth name of Riedel, Soraya: Höfs, S. AN - OPUS4-52270 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gehrenkemper, Lennart T1 - Erfassung der PFAS-Belastungssituation in Umweltproben - Schnelle & sensitive PFAS-Summenparameteranalytik mittels HR-CS-GFMAS N2 - In der Verbindungsklasse der per- und polyfluorierte alkylischen Substanzen (PFAS) werden über 5200 organische Verbindungen zusammengefasst. PFAS sind an mindestens einem Kohlenstoffatom vollständig fluoriert. Sie werden mit negativen Einflüssen auf die menschliche und tierische Gesundheit assoziiert, sind extrem persistent in der Umwelt und bioakkumulieren entlang von Nahrungsnetzen. Daher zählen PFAS zu den „emerging pollutants“. Gleichzeitig machen ihre physikalisch-chemischen Eigenschaften sie für die Verwendung in diversen technischen Anwendungen attraktiv. Sie sind sowohl hydro- als auch lipophob und zeigen durch die starke C-F-Bindung hohe thermische wie chemische Beständigkeit. Erste Regulierungen einiger PFAS in Kombination mit den technisch hervorragenden Eigenschaften erzeugt einen Innovationsdruck und führten zu einem enormen Anstieg in der Zahl der Substitutionsverbindungen. Auf Grund der steigenden Komplexität der Substanzklasse ist die Target-Analytik nicht in der Lage eine solche Vielfalt und Vielzahl an Analyten zu erfassen. Für eine akkurate Erfassung der Belastungssituation durch PFAS, die Identifikation von PFAS-Hotspots und eine Bewertung von geeigneten Sanierungsmaßnahmen ist daher eine geeignete PFAS-Summenparameteranalytik notwendig. Daher geben wir hier Einblicke in den aktuellen Stand der PFAS-Summenparameterentwicklung und präsentieren unsere neusten Ergebnisse zur Methodenentwicklung für die quantitative Analyse von PFAS als extrahierbares organisch gebundenes Fluor (EOF) in Umweltproben mittels hochauflösender Molekülabsorptionsspektrometrie (HR-CS-GFMAS). Hierfür optimierten wir die Extraktion von PFAS aus verschieden Feststoff-Matrizes bei zeitgleicher Abtrennung anorganischen Fluorids. Durch den Zusatz von Galliumsalz-Lösungen als modifier in der HR-CS-GFMAS kann Fluor indirekt sehr selektiv durch die in situ Bildung von GaF sehr nachweisstark (instrumentelle LOQ ~3 µg/L) quantifiziert werden. T2 - Umwelt 2021 CY - Online meeting DA - 07.09.2021 KW - Per- and polyfluorinated alkyl substances (PFASs) KW - High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) KW - Solid phase extraction (SPE) KW - Extractable organically bound fluorine (EOF) KW - Solid-liquid extraction KW - Böden PY - 2021 AN - OPUS4-53227 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wiesner, Yosri T1 - Erfassung von Degradationsprodukten und Additiven sowie temperaturspezifische Pyrolyseprodukte mittels TED-GC/MS N2 - Im der Präsentation werden, neben der Möglichkeit der Mikroplastikquantifizierung, auf weitere Anwendungsfelder der Methode TED-GC/MS eigegangen. Dies beinhaltet die Erfassung von Degradationsprodukten UV/O2 geschädigter Polymere und die Detektion von Additiven. Die Optimierung der Methode betreffend Messzeit und materialspezifischer Messanforderung sind ebenfalls Gegenstand. T2 - Kolloquium Massenspektrometrie von Polymeren CY - Berlin, Germany DA - 09.05.2023 KW - TED-GC/MS KW - Polymere KW - Degradation KW - Additive PY - 2023 AN - OPUS4-57480 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kalbe, Ute T1 - Ergebnisvergleich Teil 4 – Untersuchung von BM/BG mit und ohne CaCl2-Lösung als Elutionsmittel N2 - Im Teil des Workshops, der sich mit Praxiserfahrungen und Methodenvergleichen zu den Elutionsverfahren DIN 19528 und DIN 19529 befasste, wurden Robustheitsuntersuchungen für die Wahl des Eluenten besonders für Böden mit hohem Humusgehalt und/oder Tongehalt vorgestellt und die Einführung einer neuen Option in die Normen begründet. Der Einsatz 0,001 molarer CaCl2-Lösung als Elutionsmittel führt zu niedrigeren Trübungen im Eluat und reduziert den Aufwand zur Vorbereitung der Eluate für die Folgeanalytik, erleichtert den Fest-Flüssig-Trennschritt bei Schütteleluaten und hat Auswirkungen auf die Mobilisierung/Freisetzungspotenziale bestimmter Analyten, die häufig an Kolloide im Boden binden. T2 - Workshop / Anwendertreffen Elutionsverfahren im Regelungsbereich der Mantelverordnung (ErsatzbaustoffV / BBodSchV) und der EU-BauPVO CY - Berlin, Germany DA - 07.05.2024 KW - Elutionsverfahren KW - Eluent KW - Kolloide PY - 2024 AN - OPUS4-62063 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Sunderkötter, Jan T1 - Eurachem - a network and expert forum for young scientists N2 - Eurachem is an international network of national organisations having the objective of establishing a system for the international traceability of chemical measurements and the promotion of good quality practices. It also provides a forum for discussing common problems and exchanging information on quality assurance issues in analytical chemistry. The presentation will explain how Eurachem is organised, the requirements for participation and the opportunities for collaboration and networking. In particular, it will discuss why Eurachem offers an interesting network for young scientists to exchange experiences and further their own education. T2 - Doktorandenseminar der GDCh CY - Mannheim, Germany DA - 31.07.2024 KW - Eurachem KW - Network PY - 2024 AN - OPUS4-60923 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Miclea, P-T T1 - Evaluation of Toxicological Characteristics of Airborne Nano/Microplastic Particles From the Industrial Environment N2 - Micro and nano plastic (MNPs) particles and fibres represent a global scale contamination source with hazard potential. They can be identified all around our environment, even in air, soil and water. One of the major global MNPs polluters is the textile industry, which generates plastic particles (nylon, polyester, polyurethane, polyolefin, acrylic etc.) during the manufacturing processes. The study analyses the level of particle concentration outside a company that processes textile yarns, but also from the proximity of workplaces using an online air samplers with cascade and mono filter holders for silicon (Si) and quartz filters, respectively. A laser detector was used for real- time counting of particles of six size classes (PM0.3-PM10). Silicon (Si) filters with a diameter of 9 mm and pore sizes of 10 µm and 1 µm and quartz filters with a diameter of 25 mm and a pore size of 1.2 µm were used for particle sampling. A special holder was designed and made for selective sampling (PM10 and PM1.0) on Si filters. Quartz filters were pre-calcined (8000C) before collection. Sampling parameters: airflow (GilAir Plus pump) -2 l/m3, collection time -3 hours; starting time 7.00 am (T1)/2.00 pm (T2), intermittent natural ventilation, average temperature and humidity: 23.3 0C, RH: 52.5%. The weight of particles collected (µg) on the quart filters was 4.9E-05 (T1) and 5.1E-05 (T2) and on the Si filters 3,2 E-05(T1) and 5E-06(T2). The total number of the outside particles (PM0,3-PM10) was situated between 3584,58 (T1)-15165,05(T2) and inside 9901(T1) and 12921,61(T2). The highest number of PM 10 particles inside was 72/m3 and of PM0.3 particles 71979/m3. The samples were characterized using electron microscopy and µRaman spectroscopy. All samples showed a high concentration of particles on the filter. Samples show only particles with irregular shapes. The equivalent particle diameter was for PM10: 1-5 µm and PM1<1 µm. The total Ion Chromatogram shows the presence of PET-type polymer and the TED GS-MS analysis shows that the weight of the collected particles is PET. After extracting the particles from the quartz filters, they were tested for evaluation of the cytotoxic potential of preparations on human monocyte-macrophage cell cultures and peripheral lymphocytes. In the first case, the level of cytotoxicity was at the border between non-cytotoxic and cytotoxic and in the second test the result was moderate cytotoxic. T2 - SETAC Europe 2025 CY - Vienna, Austria DA - 11.05.2025 KW - Microplastics KW - TED-GC/MS KW - Nanoplastics KW - Raman microscopy PY - 2025 AN - OPUS4-63378 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hajhariri, Aliasghar T1 - Experimental and Numerical Investigation on Multi-layer Insulation Thermal Deterioration N2 - To reduce carbon dioxide emissions, energy carries such as hydrogen consider to be a solution. Consumption of hydrogen as a fuel meets several restrictions such as its low volumetric energy density in gas phase. To tackle this problem, storage as well as transportation in liquid phase is recommended. To be able to handle this component in liquid phase, an efficient thermal insulation e.g., MLI insulation is required. Some studies have been revealed vulnerability of this type of insulation against high heat flux, for instance a fire accident. Some investigations have been depicted the importance of consideration of the MLI thermal degradation in terms of its reflective layer. However, limited number of studies have been focused on the thermal degradation of spacer material and its effect on the overall heat flux. In this study, through systematic experimental measurements, the effect of thermal loads on glass fleece, glass paper as well as polyester spacers are investigated. The results are reported in various temperature and heat flux profiles. Interpreting the temperature profiles revealed as the number of spacers in the medium increases, the peak temperature detectable by the temperature sensor on the measurement plate decreases. Moreover, the contribution of each individual spacer in all cases regarding the experimental temperature range is assessed to be around 8%. This value may increase to around 50% for glass paper and polyester spacers, and to around 25% for glass fleece spacers as the number of spacer layers increases up to six layers. To utilize the outcomes of the experiment later and integrate the results into numerical and CFD simulations, a model is proposed for the mentioned experimental temperature range up to 300°C to predict a heat flux attenuation factor. The model proposes a fitting factor that can reproduce the least square fitted line to the experimental data. T2 - 15th International Symposium on Hazards, Prevention, and Mitigation of Industrial Explosions Naples (ISHPMIE) CY - Naples, Italy DA - 10.06.2024 KW - Multi-Layer Insulation KW - Cryogenic KW - Liquid Hydrogen KW - Heat Transfer KW - Hydrogen Storage PY - 2024 AN - OPUS4-60457 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisentraut, Paul T1 - Fast quantitative detection of microplastics using TED-GC/MS, an innovative thermoanalytical method N2 - Im Vortrag wird die BAM vorgestellt und die Motivation für Engagement im Feld der Mikroplastikanalysen dargelegt. Die Herausforderungen bei der Analyse werden aufgezeigt und der Umgang mit ihnen. Das Arbeitsprinzip der TED-GC/MS sowie Leistungsparameter werden erläutert sowie das Vorgehen zur Identifikation und Quantifizierung von Polymeren in er Umwelt. An ausgewählten Beispielen werden interessante Ergebnisse präsentiert und die Mikroplastikreferenzmaterialien der BAM vorgestellt. N2 - In the talk, the BAM is introduced and the motivation for our engagement in the field of microplastic analysis is explained. The challenges in the analysis of microplastics are shown and how we deal with them. The working principle of TED-GC/MS and its performance parameters are presented, as well as the procedure for identifying and quantifying polymers in environmental samples. Interesting results are shown using selected examples. Finally, BAM's microplastic reference materials are highlighted. T2 - National Environmental Monitoring Conference CY - Online meeting DA - 02.08.2021 KW - Microplastic KW - TED-GC/MS KW - Environmental analysis PY - 2021 AN - OPUS4-53081 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schardt, Annika T1 - Fast screening method for nanoparticles in surface waters via nanosecond spICP-MS and a tailored automated ion cloud recognition algorithm N2 - Single particle inductively coupled plasma mass spectrometry (spICP-MS) is a powerful technique for nanoparticle (NP) analysis in aqueous samples, which provides essential information on size distribution and particle number concentration (PNC) of nanometer-sized particles in various water samples for risk assessment and toxicity tests. In contrast to spectroscopic particle analysis methods, this mass spectrometry-based tool can provide chemical information on the elemental composition of NPs after minimal sample preparation. We recently presented a novel spICP-MS instrumentation and tailored software that acquires data with nanosecond time resolution, lowering the particle size detection limit to 7 nm for gold NP (1). The system directly samples the output signal of the electron multiplier and records the detection of individual ions with a time resolution of only a few nanoseconds. With nanosecond time resolution, we were able to visualize profiles of ion clouds that were produced from ionization of nanoparticles in the ICP on a single-ion basis and to use the temporal gap between those ions for particle sizing. Our latest improvement of the data acquisition system (nanoDAQ) features ca. 2 ns integration time and a matching processing software prototype, which automatically recognizes and counts ion clouds in the transient data. With this combination we achieved an experimentally determined size detection limit of ca. 5 nm for gold nanoparticles. A feasibility study shows that the nanoDAQ in combination with the ion cloud recognition algorithm succeeds in fast detection and counting of NP containing Ag, Ce, or Zr in waste water and surface water samples from the area of Siegen. PNCs ranged from ca. 7 x 106–2 x 108 particles/L, which is in good agreement with concentrations reported for similar water samples in the literature. T2 - 56th Annual Conference of the German Society for Mass Spectrometry (DGMS) CY - Göttingen, Germany DA - 04.03.2025 KW - Instrumentation KW - Mass Spectrometry KW - Nanoparticles KW - spICP-MS PY - 2025 AN - OPUS4-63662 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Blume, Simon T1 - Femtosecond vs. Nanosecond Laser-induced XUV Spectroscopy (LIXS) N2 - In contrast to laser-induced breakdown spectroscopy (LIBS), measuring after a delay as long as a few microseconds, laser-induced XUV spectroscopy (LIXS) takes advantage of emissions from the very first instant of the pristine plasma. This process exhibits stable and intense line and recombination emissions in the XUV-range. Therefore, common challenges for precise measurements (e.g. quantification efforts) in LIBS caused by signal intensity fluctuations due to matrix effects and plasma-flicker noise are improved, as shown for ns-pulses. A femtosecond laser (pulse length ~100 fs) interacts fundamentally different with matter than a nanosecond laser. Of the many photons needed for ionization of the sample, less are absorbed via inverse Bremsstrahlung and more in a Franck-Condon multiphoton absorption (MPA) process. In combination with the higher peak power, and therefore higher initial plasma temperature (> 10 eV), atoms are selectively ionized to a higher degree while at the same time thermal dissipation and equilibration is reduced. This specificity in excitation leads to a reduced background and the highly ionized atoms overwhelmingly emit the desired XUV-radiation. Thus, fs-LIXS promises to lead to “cleaner” spectra with sharper separation of the emission lines. The capabilities of a fs-LIXS setup in comparison to ns-LIXS will be discussed. Samples of pure elements (Al, Si, Ni, Fe, Mg), as well as composite samples (CaF, LiF, PTFE, polypropylene) serve as model systems to demonstrate these capabilities. T2 - EMSLIBS 2025 CY - Senlis, France DA - 26.01.2026 KW - Femtosecond KW - LIXS KW - XUV KW - Elemental analysis PY - 2026 AN - OPUS4-65470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gehrenkemper, Lennart T1 - Finding the most suitable PFASs sum parameter method - A Comparison of AOF vs. EOF and CIC vs. HR-CS-GFMAS N2 - Since it is unknown for many applications, which PFASs are used and how they enter the environment, target analysis-based methods reach their limits. The two most frequently used sum parameters are the adsorbable organically bound fluorine (AOF) and the extractable organically bound fluorine (EOF). Both can be quantified using either combustion ion chromatography (CIC) or high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS). Here we provide an insight on the advantageous and disadvantageous of both sum parameters and both detection methods. Our study is based on the analysis of surface water samples. Next to total fluorine (TF) analysis, AOF and EOF were determined as well as CIC and HR-CS-GFMAS are compared and results are comparatively discussed. Fluorine mass balancing revealed that, the AOF/TF proportion was higher than the EOF/TF proportion. The AOF made up 0.14–0.81% of TF and the EOF 0.04–0.28% of TF. Although, organically bound fluorine represents only a small portion of TF, PFASs are of worldwide concern, because of their extreme persistence and their bioaccumulation potential. The EOF-HR-CS-GFMAS method turned out to be more precise and sensitive than the AOF-CIC method and is a promising tool for future monitoring studies/routine analysis of PFASs in the environment. T2 - Emerging Contaminants in the Environment Conference CY - Online meeting DA - 27.04.2021 KW - High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) KW - Combustion ion chromatography (CIC) KW - Per- and polyfluorinated alkyl substances (PFASs) KW - Adsorbable organically bound fluorine (AOF) KW - Extractable organically bound fluorine (EOF) PY - 2021 AN - OPUS4-53228 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Prakash, Swayam T1 - Fluorescence Spectroscopy as an Analytical Tool for Rapid and Sensitive Faecal Pigments Detection: From Fundamentals to Onsite Applications N2 - W.H.O estimated that globally at least 2 billion people use drinking water sources contaminated with faeces [1] and according to UNICEF, most of these faecal detection methods are expensive, time-consuming (18–24 h time to result),[2] and, with few exceptions, not suited for on-site analysis.[3] Hence, there is an urgent need for the development of analytical methods that allow to unequivocally test for drinking water quality directly on-site. Today, microbial detection methods primarily targeting E. coli, the major faecal indicator bacteria, are still the prevalent methods for detecting faecal contamination of drinking and recreational waters. As an alternative, Schlesinger proposed the detection of urobilin (UB), a metabolic degradation product of haemoglobin occurring in all mammals, as faecal indicator pigment (FIP) through enhancement of its weak fluorescence by complexation with Zn2+ in alcoholic media already 120 years ago.[4] However, the major limitation of this method is the only weak enhancement of the intrinsically very weak UB fluorescence in aqueous media, requiring either the use of organic solvents or very sensitive instrumentation to reach the relevant detection limits, hampering the method’s use outside of a laboratory environment.[3] In the present work, we addressed the shortcomings relying on interfacial and supramolecular chemistry as well as materials functionalization, transforming Schlesinger’s approach into a fluorometric ‘drop and detect’ assay using a smartphone coupled to a 3D-printed optical setup as a simple and portable device. A series of silanes were used to functionalize glass fibre paper and tune its hydrophobicity, exploiting the influence of matrix tailoring to enhance binding of the Zn salt used as co-reagent to UB for optimal fluorescence response. Combination of bis(2-hydroxyethyl)-3-aminopropyltriethoxysilane and N-octyltrimethoxysilane with ZnCl2-impregnated test strips showed the best response for sensitive (nano- and sub-nanomolar concentration) smartphone-based FIP detection. The obtained fluorescence sensing results were validated with a benchtop fluorometer. Furthermore, the developed analytical method was successfully applied to the analysis of real water samples, allowing for the first time to test for faecal water contamination directly on site in a very short time of few minutes. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Faecal contamination KW - Fluorescence KW - Metal complexes KW - Water analysis KW - Optical and chemical sensing PY - 2025 AN - OPUS4-62795 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scholl, Juliane T1 - Forever Chemicals of Tomorrow? Fate of Fluorinated Li-Ion Battery Additives N2 - Fluorinated organic compounds (FOCs) are a category of anthropogenic chemicals distinguished by their resilient carbon-fluorine bonds, which confer significant chemical stability and resistance to degradation. This durability makes them valuable in various applications, particularly in lithium-ion batteries (LiBs) [1,2]. However, the environmental implications of these compounds have not been thoroughly investigated. This study focuses on the environmental impact of two fluorinated aromatic compounds: tris(pentafluorophenyl)borane (TPFPB) and tris(pentafluorophenyl)phosphine (TPFPP), specifically regarding their roles in enhancing LiB performance [3,4]. To assess their environmental fate, we employed a range of laboratory simulation techniques generating transformation products (TPs), including total oxidizable precursor assays, electrochemistry (EC), Fenton reactions, UV-C irradiation, and hydrolysis. We utilized liquid chromatography and gas chromatography coupled with high-resolution mass spectrometry to identify TPs and predict their molecular formulas. Despite their structural similarities, TPFPB and TPFPP displayed differences in electrochemical behavior and degradation pathways. TPFPB underwent significant transformation through hydroxylation and hydrolysis, yielding a diverse array of 49 TPs, including 28 newly identified compounds, including oligomers and minor levels of highly toxic dioxins. In contrast, TPFPP underwent degradation only at extreme conditions, highlighting the necessity for new conditioning protocols in electrochemistry. Overall, our simulation experiments revealed 9 structurally unique compounds, including 7 previously unidentified partially defluorinated byproducts. This study underscores the potential environmental hazards associated with the use of FOCs in lithium-ion batteries and enhances our understanding of the complex interactions these compounds have with the environment. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - High Resolution Mass Spectrometry (HRMS) KW - Lithium-Ion Batteries KW - Simulation methods KW - PFAS KW - Electrochemistry KW - Photochemistry KW - TOP assay PY - 2025 AN - OPUS4-62805 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Even, Morgane T1 - Formaldehyde Emissions from Wooden Toys: Method Comparison and Exposure Assessment N2 - Formaldehyde is considered as carcinogenic and is emitted from particleboards and plywood used in toy manufacturing. Currently, the flask method is frequently used in Europe for market surveillance purposes to assess formaldehyde release from toys, but its concordance to levels measured in emission test chambers is poor. Surveillance laboratories are unable to afford laborious and expensive emission chamber testing to comply with a new amendment of the European Toy Directive; they need an alternative method that can provide reliable results. Therefore, the application of miniaturised emission test chambers was tested. Comparisons between a 1 m3 emission test chamber and 44 mL microchambers with two particleboards over 28 days and between a 24 L desiccator chamber and the microchambers with three puzzle samples over 10 days resulted in a correlation coefficient r2 of 0.834 for formaldehyde at steady state. The correlation between the results obtained in microchambers vs. flask showed a high variability over 10 samples (r2: 0.145), thereby demonstrating the error-proneness of the flask method in comparison to methods carried out under ambient parameters. An exposure assessment was also performed for three toy puzzles: indoor formaldehyde concentrations caused by puzzles were not negligible (up to 8 μg/m3), especially when more conservative exposure scenarios were considered. T2 - OE conference CY - Online meeting DA - 23.03.2021 KW - Formaldehyde KW - Wooden toys PY - 2021 AN - OPUS4-52330 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Even, Morgane T1 - Formaldehydemissionen aus Holzspielzeug: Methodenvergleich und Expositionsabschätzung N2 - Formaldehyd gilt als krebserregend und wird von Spanplatten und Sperrholz emittiert, die bei der Spielzeugherstellung verwendet werden. Die Untersuchungsänter benötigen eine wirtschaftliche und zuverlässige Methode. Die Anwendung miniaturisierter Emissionsprüfkammern wurde getestet und mit größeren Emissionsprüfkammern und die Flaschenmethode verglichen. Eine Expositionsabschätzung wird auch vorgestellt. T2 - 28. WaBoLu-Innenraumtage CY - Online Meeting DA - 10.05.2021 KW - Formaldehyd KW - Emission KW - Spielzeug KW - Methoden PY - 2021 AN - OPUS4-52628 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - From Egypt to Hiddensee – Analysis of Gold with Synchrotron Radiation IV N2 - Gold is one of the seven metals already known in antiquity and was used from time immemorial as a medium of exchange and for the production of jewelry because of its luster and rarity. In addition, it is easy to work and largely resistant to chemical influences. Investigations of gold using synchrotron radiation excited X-ray fluorescence analysis are non-destructive and provide information about the chemical elements present in the sample under investigation. The investigations presented here at BAMline focus on questions such as the origin, manufacturing process, and association of gold findings. The different questions are explained by a number of examples ranging from the Viking treasure from Hiddensee to the Nebra Sky Disk and finds from Egypt. The find from Bernstorf is discussed in detail. A Bayesian treatment of the authenticity is shown. T2 - Ringvorlesung Einführung in die Archäometrie CY - Berlin, Germany DA - 04.11.2022 KW - Synchrotron KW - BAMline KW - Bayesian Statistics KW - Gold KW - Röntgenfluoreszenz PY - 2022 AN - OPUS4-56252 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - From Egypt to Hiddensee – Analysis of Gold with Synchrotron Radiation V N2 - Gold is one of the seven metals already known in antiquity and was used from time immemorial as a medium of exchange and for the production of jewelry because of its luster and rarity. In addition, it is easy to work and largely resistant to chemical influences. Investigations of gold using synchrotron radiation excited X-ray fluorescence analysis are non-destructive and provide information about the chemical elements present in the sample under investigation. The investigations presented here at BAMline focus on questions such as the origin, manufacturing process, and association of gold findings. The different questions are explained by a number of examples ranging from the Viking treasure from Hiddensee to the Nebra Sky Disk and finds from Egypt. The find from Bernstorf is discussed in detail. A Bayesian treatment of the authenticity is shown. T2 - Ringvorlesung Einführung in die Archäometrie CY - Berlin, Germany DA - 01.11.2024 KW - Gold KW - Synchrotron KW - XRF KW - BAMline KW - Bayes PY - 2024 AN - OPUS4-61699 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - From molecular and nanoscale chromophores with UV/VIS/NIR/SWIR luminescence to multi method characterization of surface coatings N2 - An overview of the research activities of division Biophotonics is presented covering examples for photophysical studies of different types of molecular and nanocrystalline luminophores, luminescent particles, and sensor systems in solution, in dispersion, and in the solid state and multi-method charactreization workflow for the characterization of surface-functionalized engineered nanomaterials. In addition, the importance of reliable optical measurements, particularly standardized workflows for the determination of the key performance parameter luminescence quantum yield of transparent and scattering luminescent samples with fluorescence and integrating sphere spectroscopy, and validated methods for quantifying surface functional groups and ligands on nanomaterials is highlighted. Thereby, also ongoing standardization activities are presented as well as certified reference materials and reference materials from division Biophotonics. T2 - Chinese-German Chemical Association - Annual Meeting CY - Berlin, Germany DA - 22.08.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Quantum yield KW - Characterization KW - Advanced material KW - Surface KW - Lifetime KW - Sensor KW - Oxygen KW - Ph KW - Standardization KW - Fluorescent probe KW - Reference material PY - 2025 AN - OPUS4-64181 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Engelhard, Carsten T1 - From Particles to PFAS: Recent Advances in Plasma-based Instrumentation Development N2 - In this presentation, recent advances in plasma spectrochemistry with hot and cold plasma sources for the direct detection of nanoparticles as well as per- and polyfluoroalkyl substances (PFAS) will be discussed. In the first part, single-particle inductively coupled plasma mass spectrometry (spICP-MS) with an in-house built data acquisition system with nanosecond time resolution (nanoDAQ) will be presented. In the second part, we turn to a cooler plasma source. Specifically, a flowing atmospheric-pressure afterglow source (FAPA) and its application for the direct mass spectrometric analysis of PFAS will be discussed. T2 - 20th European Winter Conference on Plasma Spectrochemistry CY - Berlin, Germany DA - 02.03.2025 KW - ICP-MS KW - Instrumentation KW - Nano KW - Nanoparticle Characterization KW - PFAS PY - 2025 AN - OPUS4-63581 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - Getting it right with photoluminescence quantum yields of molecular and nanoscale luminophores and luminescent particles N2 - Photophysical and mechanistic studies, the comparison of different emitter classes, and the rational design of the next generation of molecular and nanoscale reporters require quantitative photoluminescence measurements and the reliable determination of the key performance parameter photoluminescence quantum yield (QY), i.e., the number of emitted per absorbed photons. This is of special importance for all photoluminescence applications in the life and material sciences in the UV/vis/NIR/SWIR. To improve the reliability and comparability of photoluminescence and QY measurements across laboratories, pitfalls, achievable uncertainties, and material-specific effects related to certain emitter classes must be explored. Also, suitable protocols and reference materials are needed which have been validated in interlaboratory comparisons for different wavelength regions and transparent and scattering luminophores.[1] Based on absolute and relative photoluminescence measurements of functional dyes and nanomaterials like semiconductor quantum dots and rods, spectrally shifting lanthanide upconversion nanocrystals, perovskites, and YAG:Cer converter materials, reliable methods for determining QY of transparent and scattering luminophores, nonlinear emitters, and solid luminescent nanomaterials have been developed.[2,3] Thereby, material- and method-related uncertainties of relative and absolute QY measurements and achievable uncertainties could be quantified for linear and nonlinear UV/vis/NIR/SWIR emitters and lately for also luminescent and scattering materials and solid phoshors, here in an interlaboratory comparison of three labs utilizing integrating sphere spectroscopy.[4,5] In addition, to provide simple tools for a better comparability of QY measurements, recently, a first set of UV/vis/NIR quantum yield standards has been developed and certified with complete uncertainty budgets.[6] In the following, the outcome of these studies will be presented, thereby addressing common pitfalls and providing recommendations on the performance of reliable QY measurements of linear and non-linear emitters in transparent, scattering, and solid samples. T2 - 29th Lecture Conference on Photochemistry (LCP 2024) GDCh CY - Mainz, Germany DA - 16.09.2024 KW - Nanoparticle KW - Nano KW - Luminescence KW - Quality assurance KW - Synthesis KW - Standardization KW - Reference material KW - Quantum yield KW - Fluorescence KW - Reference data KW - Integrating sphere spectroscopy KW - ILC KW - Converter material KW - YAG:Ce KW - Optoceramic PY - 2024 AN - OPUS4-61075 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Getting more efficient – The use of Bayesian optimization and Gaussian processes at the BAMline N2 - The BAMline, a beamline for material science research at BESSY II, has been operated by the Bundesanstalt für Materialforschung und -prüfung for over two decades. In the last few years, Bayesian optimization (BO) with Gaussian processes (GP) has been introduced as a transformative method in this setting. This contribution highlights the integration and impact of BO and GP in refining BAMline operations. We will explore the impact of integrating Bayesian methods, especially when combined with Gaussian processes, on the operational efficiency of the BAMline. Our discussion commences with an overview of the fundamental concepts of active learning and optimization. This is followed by an in-depth analysis of specific case studies, drawing on our direct experience with these innovative methods. For this our focus is on three key applications: Alignment of Optical Elements (DCM and DMM): The implementation of Bayesian optimization using Gaussian processes has revolutionized the alignment process for the Double Crystal Monochromator (DCM) and the Double Multilayer Monochromator (DMM). This approach greatly reduced manual effort and enhanced the efficiency and effectiveness of the alignment procedure. Optimal Spot Selection for Spatial Mapping in XRF Studies: In X-ray fluorescence (XRF) experiments, determining the most informative sampling spots is crucial. The introduction of BO, informed by GP, has significantly improved the selection process, especially in large or heterogeneous samples. This methodology ensures maximum information gain, optimizing the balance between comprehensive mapping and resource management. Selection of Optimal Energies for XANES Measurements in GEXANES Geometry: In the specific context of X-ray Absorption Near Edge Structure (XANES) studies using Grazing Exit (GEXANES) geometry, the Bayesian approach with Gaussian processes is now utilized to identify the most effective energy settings. This results in detailed spectral data acquired in a much shorter time. We also address challenges and limitations encountered during implementation. Additionally, the versatility of this approach in addressing a range of different research questions will be demonstrated. T2 - Machine Learning Conference for X-Ray and Neutron-Based Experiments CY - Garching bei München, Germany DA - 08.04.2024 KW - BAMline KW - Synchrotron KW - XRF KW - Bayes PY - 2024 AN - OPUS4-61703 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Glimpses of the future: Systematic investigations of 1200 mofs using a highly automated, full-stack materials research laboratory N2 - By automatically recording as much information as possible in automated laboratory setups, reproducibility and traceability of experiments are vastly improved. This presentation shows what such an approach means for the quality of experiments in an X-ray scattering laboratory and an automated synthesis set-up. T2 - Winter School on Metrology and Nanomaterials for Clean Energy CY - Claviere, Italy DA - 28.01.2024 KW - Digitalization KW - Automation KW - Digital laboratory KW - Scattering KW - Synthesis KW - Nanomaterials KW - Holistic science PY - 2024 AN - OPUS4-59621 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Karioui, Sarah T1 - Handbuch2AR - Von technischer Dokumentation zur Interaktion in Betrieb und Wartung N2 - Der Vortrag stellt das Projekt „Handbuch2AR“ vor, das einen KI-gestützten, kontextbasierten Zugriff auf technische Dokumentation für Betriebs-, Wartungs- und Instandsetzungsaufgaben adressiert. Vorgestellt wird ein prototypischer Ansatz auf Basis von Retrieval-Augmented Generation (RAG), der Prozessmodelle der Wartungsaufgabe mit relevanten Inhalten aus Handbüchern verknüpft, um situationsabhängige Informationen bereitzustellen. Anhand mehrerer industrieller Anwendungsfälle wird der aktuelle Entwicklungsstand sowie das geplante Vorgehen zur qualitativen Evaluation der Ergebnisse erläutert. T2 - MR4B Konferenz CY - Berlin, Germany DA - 17.07.2025 KW - KI KW - Wartung KW - BPMN PY - 2025 AN - OPUS4-65333 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Harmonisation efforts of the CUSP projects N2 - The talk is about harmonisation approaches within CUSP. First the five H2020 projects for research on risk assessment regarding microplastics topic were presented. Secondly, harmonisation process were discussed. T2 - VAMAS SC 47 Meeting CY - Turin, Italy DA - 19.10.2022 KW - Microplastics KW - Harmonisation KW - Nanoplastics KW - H2020 KW - Risk assessment PY - 2022 AN - OPUS4-56077 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Drago, C A1 - Wiesner, Yosri A1 - Braun, U A1 - Giovannozi, A A1 - Fadda, M A1 - Putzu, Mara A1 - Lorenzo, S A1 - Moscoso-Pérez, C A1 - Benismail, N A1 - Palma, C A1 - Almeida, J A1 - Mattarozzi, M A1 - Barbaresi, M A1 - Piergiovanni, M A1 - Masino, M A1 - Bianchi, F A1 - Careri, M A1 - v Bavel, B A1 - Maltseva, A A1 - Sillanpää, M A1 - Pröfrock, D A1 - Wippermann, D A1 - Altmann, Korinna T1 - Harmonisation of sample preparation for microplastic analysis: Recovery rates of tablets containing microplastics as reference material for food and environmental matrix N2 - Microplastic are found ubiquitarians in the environment and food products. Up to now, their impact of risks on health and environment is still controversially discussed, but based on the precautionary principle alone, their presence should be monitored and emission should be reduced (see here also the status of existing EU regulations ). The crucial point is not only the reduction of microplastics pollution but also the introduction of legally binding, standardized procedures for their analysis. The limited availability of certified reference material as well as absence of standard operating procedures to identify, characterize and quantify microplastics according to number and mass have generated lack of comparability between different analytical methods and laboratories; but also, the need of time-consuming development of own protocols for each laboratory. Further on, harmonisation and standardisation of microplastics analysis requires specific reference materials that are used to validate the measurement and to ensure the comparability of results. In the first step, we developed tablets of a water-soluble matrix, containing defined numbers of microplastic particles or mass contents. These can be solved in water and can be handled as reference materials in bottled drinking water without additional sample preparation. These samples can be measured, using mass-based methods as thermo-analytical methods like thermal desorption-gas chromatography-mass spectrometry (TED-GC/MS) or pyrolysis–gas chromatography–mass spectrometry (Py-GC/MS) and using umber-based methods as vibrational spectroscopy like Infrared and Raman directly after filtration. The aim of this work was to delevop standard operating procedure to measure microplastics in more complex matrices and to harmonise and compare different detection and characterization methods. In fact, these matrices require different additional treatments to allow a reliable quantification and identification of microplastics. T2 - SETAC Europe 2025 CY - Vienna, Austria DA - 11.05.2025 KW - Microplastics KW - Nanoplastics PY - 2025 AN - OPUS4-63366 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Herausforderungen bei der Analytik von Technologie-kritischen Elementen (TCE) in Abfällen N2 - Technologie-kritische Elemente (TCE) sind unentbehrliche Materialien für High-Tech Produkte wie Smartphones, Notebooks und Monitors. Ihr Bedarf wird voraussichtlich aufgrund des gesellschaftlichen Wandels hin zu einer grünen Ökonomie exponentiell ansteigen. Dieser Wandel wird vor allem auch durch erneuerbare Energien und Elektromobilität geprägt (European Green Deal). Diese Entwicklung in Verbindung mit einer nahezu fehlenden TCE Produktion in Europa setzt den Markt unter Druck und führt zu steigenden Preisen. Die Sicherung des TCE Nachschubs wurde in der gegenwärtigen Gesundheitskrise noch dringender und wurde daher auch zu einem der Hauptthemen des COVID-19 Recovery Plan, der eine Stärkung der europäischen Resilienz und Autonomie zum Ziel hat. Ein nachhaltige Lösung ist das Recycling der Abfall- bzw. Wertstoffe und letztendlich eine Circular Economy. Allerdings ist die Analyse von Abfallströmen schwierig und erfordert geeignete analytische Lösungen, die SI-rückführbare und somit vergleichbare Messergebnisse im gesamten Recyclingprozess ermöglichen. Die dafür erforderlichen, für TCE zertifizierte, Referenzmaterialien und nötige standardisierte Verfahren fehlen bisher nahezu vollständig. In diesem Beitrag werden die analytischen Herausforderungen, wie z.B. die extreme Heterogenität der Materialien, Schwierigkeiten beim Probenaufschluss und das Fehlen von Referenzmaterialien diskutiert. Und es wird das EMPIR-Projekt MetroCycleEU vorgestellt, dessen Ziel es ist Referenz- und Routineverfahren für ausgewählte TCE (Co, Ga, Ge, In, Ta, Nd, Pr, Dy, Gd, La, Au, Pt, Pd, Rh) zu entwickeln und Referenzmaterialien für Platinen, LEDs und Li-Batterien bereitzustellen. T2 - Workshop Nachhaltige Prozesse für eine Circular Economy CY - Berlin, Germany DA - 23.09.2021 KW - TCE KW - Circular economy KW - Metrology KW - Traceability KW - Uncertainty PY - 2021 AN - OPUS4-53371 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wittwer, Philipp T1 - Herausforderungen bei der Anwendung von Summenparametern (EOF) in der PFAS Analytik N2 - Problemstellen die bei der Arbeit mit der CIC in unserem Fachbereich aufgetreten sind und wie wir diese Probleme angegangen sind und die verwendeten Methoden weiterentwickelt haben. T2 - 25.Jahrestagung SETAC & GDCh "Umwelt 2021" CY - Online meeting DA - 07.09.2021 KW - PFAS KW - EOF KW - CIC PY - 2021 AN - OPUS4-53267 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Morcillo, Dalia T1 - High-resolution absorption isotopic spectrometry as a tool for aging studies of Li-ion batteries N2 - Lithium (Li) is the key element in the manufacturing of batteries. Isotopic study of Li may help to identify the causes of battery aging due to isotopic fractionation during charge/discharge cycles. Isotopic ratio determination is based on monitoring the isotopic components of lithium by their spin-orbit coupling and its isotopic shift of about 15 pm for the 22P←22S electronic transition around 670.788 nm. In this work, we propose improvements to our previous work [1] by using a higher-resolution double echelle modular spectrometer (HR-DEMON II) coupled to a continuum source graphite furnace atomic absorption spectrometer (HR-CS-GF-AAS) for the isotopic analysis of Li. The data analysis was carried out by using a decision-tree-based ensemble machine learning (ML) algorithm (XGBoost). A set of samples with 6Li isotope amount fractions ranging from 0.0004 to 0.99 mol mol-1 was used for the algorithm's training. Subsequently, the procedure was validated by a set of stock chemicals (Li2CO3, LiNO3, LiCl, and LiOH) and a BAM candidate reference material, a cathode material (NMC111). Finally, the ML model was applied to determine the isotope ratio of geological samples, including anorthosite, granite, soil, rhyolite, nepheline syenite, and basalt and battery samples. These samples were measured as digested without any further purification step. Improvements in the optical resolution resolve the lithium isotopic components of the atomic spectra. In the studied geological samples, were found δ7Li values between -0.5 and 4.5 ‰ with a precision range of 1 to 2 ‰. In addition, the proposed method was validated with multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS), and these results are comparable and compatible. T2 - Caltech-BAM Meeting CY - Online meeting DA - 10.08.2022 KW - Lithium isotope KW - Machine learning KW - Battery KW - High-resolution absorption isotopic spectrometry PY - 2022 AN - OPUS4-56380 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Morcillo, Dalia T1 - High-resolution optical isotopic spectrometry as a tool for aging studies of Li-ion batteries N2 - Current activities on Department Analytical Chemistry, Reference Materials about optical isotopic spectrometry as a tool for aging studies of Li-ion batteries. T2 - Adlershofer Kolloquium - FB 1.6 CY - Online meeting DA - 18.05.2021 KW - High-resolution KW - Battery aging KW - Storage Technologies KW - Optical isotopic spectrometry KW - Lithium-ion batteries KW - Inorganic Reference Materials KW - Pouch cell KW - Anode KW - Cathode KW - Electrochemistry KW - Isotope PY - 2021 AN - OPUS4-53712 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Winckelmann, Alexander T1 - High-resolution optical spectrometry for lithium isotope ratio analysis N2 - An alternative method for lithium isotope amount ratio analysis is proposed by combining atomic absorption spectrometry with spectra data analysis by machine leaning. It is based on the well-known isotope shift of around 15 pm for the electronic transition at wavelength 670.7845 nm which can be measured by a high-resolution continuum source atomic absorption spectrometer (HR-CS-AAS). For isotope amount ratio analysis, a scalable three boosting machine learning algorithm (XGBoost) was employed and calibrated with a set of samples with a 6Li isotope amount fraction ranging from 99% to 6%. The absolute Li isotope amount fractions of these calibration samples were previously measured by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) and used as ab-initio data for the machine learning algorithm. Validation of the machine leaning model was performed with two standard reference materials (LSVEC and IRMM-016). The procedure was employed for the isotope amount ratio determination of a set of stock chemicals (Li2CO3, LiNO3, LiCl, LiOH, and LiF) as well as a BAM candidate LiMNC cathode reference material. Achieved uncertainties are one order of magnitude higher than those obtained by MC-ICP-MS. This precision and accuracy is nonetheless sufficient to resolve natural occurring variations in Lithium isotope ratios. Also, the LiMNC material was analyzed by HR-CS-AAS with and without matrix purification. The results are comparable within statistical error. T2 - Groupseminar - GFZ Potsdam CY - Online Meeting DA - 27.10.2020 KW - Lithium batteries KW - HR-CS-AAS KW - Machine learning KW - Isotope analysis PY - 2020 AN - OPUS4-51572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schneider, Rudolf T1 - How can antibodies help us in the risk assessment of pharmaceuticals in the environment? N2 - The widespread use of pharmaceuticals has led to their persistent presence in various environmental compartments, raising concerns about ecological and human health risks since they pose a significant threat to non-target organisms and human health, necessitating robust methods for environmental risk assessment.   Traditional analytical methods, such as liquid chromatography-mass spectrometry (LC-MS), offer high sensitivity and specificity but are often resource-intensive, require complex sample preparation, limiting their applicability for large-scale or real-time monitoring. In this context, antibody-based analytical techniques present a promising complementary approach for the detection and quantification of pharmaceutical residues in environmental matrices.   Antibodies, due to their high specificity and affinity, enable the development of immunoassays such as ELISA, lateral flow assays, fluorescence-based formats, and electrochemical sensors that are rapid, cost-effective, and adaptable to field conditions. These methods can be tailored to target a wide range of pharmaceutical compounds, including antibiotics and endocrine disruptors. Moreover, antibody-based assays facilitate high-throughput screening and can be integrated into portable platforms for on-site analysis, thereby enhancing temporal and spatial resolution in environmental monitoring.   This presentation explores the potential of antibodies in environmental risk assessment, focusing on their application in detecting trace levels of pharmaceuticals in water, soil, and biota. They are presented as a complementary and powerful tool for rapid, cost-effective screening in the lab and that also can be deployed for on-site analysis in the field.   The talk also discusses recent advances in antibody engineering, multiplexing capabilities [1], and the integration of immunoassays with sensor technologies [2].   Case studies illustrate how immunoanalytical data can help in finding potential contamination hotspots [3], hazard identification, pollution source tracking, and the generation of crucial data for predictive models on environmental fate and effects. Antibody-based methods can also help in early warning systems and the evaluation of mitigation strategies, contributing to a more comprehensive and proactive risk assessment framework, eventually to regulatory decision-making, ultimately aiding in the protection of ecosystems and public health. T2 - ICRAPHE - 6th International Conference on Risk Assessment of Pharmaceuticals in the Environment CY - Aveiro, Portugal DA - 20.10.2025 KW - Antibodies KW - Immunoassay KW - Microfluidics KW - Electrochemical detection KW - Biosensor PY - 2025 AN - OPUS4-64922 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Winckelmann, Alexander T1 - How does solid microanalysis profit from innovations in EUV research N2 - Research into new sources for EUV lithography is driving advancements in experimental methods tailored for this short wavelength range. This progress enables the exploration of spectroscopic techniques aimed at monitoring electronic transitions within this energy spectrum. Laser-induced breakdown spectroscopy (LIBS) serves as a rapid tool for elemental analysis, primarily established in the UV-vis range. However, LIBS encounters challenges such as limited repeatability precision and elevated background noise resulting from continuum radiation. In parallel, laser-induced extreme UV spectroscopy (LIXS) delves into the initial stages of plasma evolution, characterized by the emergence of soft X-ray and extreme UV radiation. The method benefits from a fast timeframe and constrained plasma confinement, leading to better precision. Nevertheless, LIXS encounters convoluted spectra arising from unresolved transition arrays (UTA), particularly pronounced for heavier elements. This complexity renders conventional univariate data analysis impractical, demanding the adoption of a multivariate data analysis approach. Multiple cathode samples, each coated with varying stoichiometries of lithium nickel manganese cobalt oxide (NMC), were prepared and used for calibration purposes. Through the application of Partial Least Squares (PLS) regression, a robust correlation with an R2 value exceeding 0.97 was achieved. The LIXS technique underwent a comparative evaluation against UV-vis LIBS. Furthermore, a comparison between univariate and multivariate analysis approaches was conducted, incorporating validation through y-randomization to mitigate overfitting risks. The viability of this approach was confirmed through the testing of an NMC reference material. The results showed metrological compatibility with reference values, underscoring the potential capability of the proposed methodology. T2 - 322. PTB Seminar 2023 - VUV and EUV Metrology CY - Berlin, Germany DA - 14.11.2023 KW - Laser induced XUV spectroscopy KW - Lithium-ion batteries KW - Solid microanalysis PY - 2023 UR - https://www.euv2023.ptb.de/ AN - OPUS4-58834 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Resch-Genger, Ute T1 - How to get it right with photoluminescence measurements in the UV/VIS/NIR N2 - Optical measurements of transparent solutions of organic dyes and semiconductor quantum dots and scattering materials such as luminescent nanocomposites and microparticles and phosphors dispersed in liquid and solid matrices play an important role in energy conversion, solid-state lighting, medical diagnostics, and security barcoding. A key performance parameter is the photoluminescence quantum yield QY, i.e., the number of emitted per number of absorbed photons. QY of transparent luminophore solutions can be obtained relative to a fluorescence QY standard of known QY. Such relative QY measurements require a calibrated spectrofluorometer. Here, we address typical sources of uncertainty for luminescence measurements and relative and absolute QY measurements from the instrument and material side and provide recommendations to circumvent or at least minimize them for transparent and scattering samples in the UV/vis/NIR/SWIR. T2 - Workshop "Photoluminescence Spectroscopy and its application in Materials Research" CY - Vienna, Austria DA - 19.02.2026 KW - Quality assurance KW - Reference material KW - Fluorescence KW - Dye KW - Traceability KW - Metrology KW - Calibration KW - Reference data KW - Reference product KW - Digital certificate KW - NIR KW - Instrument performance validation PY - 2026 AN - OPUS4-65575 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tavernaro, Isabella T1 - How to Quantify the Total and Accessible Number of Functional Groups and Ligands on Nanomaterials Using a Multimodal Approach – A Bilateral Comparison N2 - Surface-functionalized organic and inorganic engineered nanomaterials (NM) have gained increasing interest in various fields of application such as nanomedicine, bioimaging and sensing, or as additives in food and consumer products. The performance and safe use of these NM in such applications depend not only on their composition, primary particle size, and morphology, but also on surface chemistry, which controls surface charge, colloidal stability, biocompatibility, and toxicity.[1] NM surface chemistry is mainly determined by the total number of surface functional groups (FG) and the number of FG accessible for subsequent functionalization with ligands or biomolecules. Thus, methods for FG quantification are not only important tools for the control of NM production processes, but can also foster the sustainable development of functional and safe(r) NM. In addition, this need underlines the importance of validated and standardized analytical methods that provide accurate information on application-relevant physicochemical properties with known uncertainties, flanked by suitable quality control samples and reference materials. Aiming at the development of simple, versatile, and multimodal tools for the quantification of common bioanalytically relevant FG, we investigated and compared various analytical methods commonly used for FG quantification.[2,3] The potential of multimodal approaches for FG quantification was recently demonstrated in a bilateral comparison of the surface analysis of commercially available aminated silica nanoparticles (SiO2-NP).[3] These results demonstrate not only an influence of the size and synthesis methods on the number of FG but also on NM performance. This concept is currently explored in a second bilateral comparison of quantitative nuclear magnetic resonance (qNMR) measurements and optical assays for differently sized commercial and in-house synthesized SiO2-NP with varying amounts of amine functionalities, utilizing further optimized protocols for sample preparation, qNMR measurements, and data evaluation. This strategy can contribute to establishing multi-method characterization strategies for NMs and can provide a more detailed picture of structure-properties relationships for different types of functional NM. T2 - E-MRS Spring Meeting 2024 & ALTECH 2024 CY - Strasbourg, France DA - 27.05.2024 KW - Quantification KW - Nano KW - Particle KW - Quality assurance KW - Interlaboratory comparison KW - Method KW - Uncertainty KW - Reference material KW - Sensors KW - Synthesis KW - Silica KW - Surface analysis PY - 2024 AN - OPUS4-62161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - von der Au, Marcus T1 - HR-CS-GF-MAS as a new screening method for emerging pollutants - per- and polyfluorinated substances in the environment N2 - The introduction of fluorine in organic molecules leads to new chemical/physical properties. Especially in the field of pharmaceuticals, fluorinated organic molecules are becoming more and more popular and at present amount up to 25% of market share, with an upward trend. The main benefits of fluorinated pharmaceuticals are: (i) enhanced fat solubility; (ii) enhanced interaction of catalytic-center of enzymes with fluorine-drugs; (iii) a delayed metabolism within the human body. Highly fluorinated organic substances are also used in technical applications (e.g. coatings, fire-extinguishing agents). Due to the broad variety of fluorinated substances and increasing production volumes numerous and up to date unknown fluorine-species are most likely to be present in the (aquatic) environment. Analytical methods to assess the degree of contamination of surface waters with organically bound fluorine are highly needed and up to now only combustion ion chromatography based method is available, which is relatively laborious. Since a few years’ high resolution-continuum source-graphite furnace atomic absorption spectrometers (HR-CS-GFAAS) are commercially available from Analytik Jena. By means of this technique, the detection of high resolution molecular absorption spectra (MAS) is enabled. Thus, fluoride is detectable upon the addition of a modifier and the formation of a diatomic molecule (e.g. GaF). Just recently, we applied this technique for total fluorine (mainly dissolved fluoride) analysis in river water samples. In the present work a HR-CS-GFMAS method for extractable organically bound fluorine (EOF) analysis in surface water samples was developed by us. The method is based on SPE extraction of organically bound fluorine even in the presence of high fluoride concentrations followed by HR-CS-GFMAS analysis upon elution. Due to high enrichment factors, LODs in the low ng/L range were achieved. We successfully applied our SPE HR-CS-GFMAS method to Rhine water samples and EOF in the range of about 50-300 ng/L was detectable. T2 - DGMS 2020 CY - Münster, Germany DA - 01.03.2020 KW - SPE HR-CS GF MAS PY - 2020 AN - OPUS4-50504 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - HR-CS-GFMAS a new screening tool for per- and polyfluoroalkyl substances (PFAS) in the environment N2 - Per- and polyfluorinated alkyl substances (PFASs) are a large group of anthropogenic contaminates. Concerning are especially their persistent, bioaccumulative and toxic properties. Mostly, target-based approaches (e.g., LC-MS/MS) are utilized for the analysis of PFASs in the environment. But these approaches are limited to the availability of analytical grade standards and therefore drastically underestimate the total PFAS burden. Analytical approaches based on total fluorine for PFAS sum parameter analysis become increasingly important to indicate realistic PFAS pollution levels. PFAS sum parameters display the proportion of organically bound fluorine that can either be extracted (EOF) or adsorbed to activated carbon (AOF). For the instrumental analysis of such sum parameters, a fluorine selective detector is needed. Besides combustion ion chromatography (CIC), high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) is a sensitive and highly selective tool for fluorine determination. The method is based on the in situ formation of diatomic gallium-mono fluoride (GaF) in a graphite furnace at a temperature of 1550°C. The molecular absorption of GaF can be detected at its most sensitive wavelength at 211.248 nm providing limits of quantification in the low µg F L-1 range. Here, we present a comparison of total fluorine analysis methods – AOF vs. EOF and HR-CS-GFMAS vs. CIC. Therefore, surface water samples from the Spree River in Berlin, Germany were analyzed at 10 locations for total fluorine (TF), AOF and EOF. The AOF made up 0.14–0.81% of TF and the EOF 0.04–0.28% of TF while AOF concentrations were systematically higher. For the instrumental comparison, HR-CS-GFMAS was the more sensitive and precise method for fluorine analysis compared to CIC. T2 - ICOBTE / ICHMET 2023 CY - Wuppertal, Germany DA - 06.09.2023 KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - WWTP KW - SPE PY - 2023 AN - OPUS4-58245 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - HR-CS-GFMAS a versatile screening tool for PFASs in various environmental samples N2 - Per- and polyfluoroalkyl substances (PFASs) are a group of anthropogenic contaminates associated with persistent, bioaccumulative and toxic properties. Mostly, target-based approaches (e.g., LC-MS/MS) are utilized for the analysis of PFASs in the environment. Target approaches are limited to a few selected PFASs and therefore underestimate the total PFAS burden. Analytical approaches based on total fluorine for PFAS sum parameter analysis become increasingly important to indicate realistic PFAS pollution levels. Recently high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) turned out to be a sensitive and highly selective tool for fluorine determination. The method is based on the in situ formation of diatomic gallium-mono fluoride (GaF) in a graphite furnace at a temperature of 1550°C. The molecular absorption of GaF can be detected at its most sensitive wavelength at 211.248 nm providing limits of quantification in the low µg F/L range. HR-CS-GFMAS analysis can be combined with the extractable organically bound fluorine (EOF) approach whereas PFASs are extracted from liquid or solid samples using organic solvents and/or solid phase extraction (SPE). In this presentation the applicability of HR-CS-GFMAS for organic fluorine analysis in various environmental sample including (1) water samples, (2) soil samples and (3) plant samples is demonstrated. (1) We investigated EOF concentrations in water bodies in Berlin, Germany and used additional PFAS target analysis for a PFAS mass balance approach. EOF concentrations were in the expected range for an urban river system. However, downstream of an effluent discharge, the EOF increased by one order of magnitude from 40 to 574 ng F/L. Target analysis determined mostly short-chained perfluorinated carboxylic acids and sulfonic acids, which however only made up less than 10% of the EOF. This study highlights that EOF screening using HR-CS-GFMAS is useful and advantageous compared to target analysis to identify pollution sites in urban water systems. (2) For soil samples, we optimized a fast and simple PFAS extraction method for EOF determination. The developed extraction method consists of a liquid-solid extraction without any additional SPE for fluoride removal. We investigated different soil samples using the optimized method with and without an additional SPE clean-up step and revealed a drastic underestimation of EOF mass fractions using SPE. The optimized method is a valuable screening tool for fast PFAS monitoring. (3) For plant samples, we conducted a study on the uptake and fate of PFASs in bean plants. For PFAS mass balancing HR-CS-GFMAS analysis was combined with LC-MS/MS analysis. PFASs were spiked as mixtures of known and unknown composition. Short-chained PFASs were determined with high mass fractions mainly in the fruits of the investigated plants while long-chained PFASs were mainly determined in roots. Overall, both methods indicate comparable results with target analysis being more reliable for known PFAS contamination and EOF/HR-CS-GFMAS analysis being more valuable to identify PFAS exposure of unknown composition. T2 - 18th International Conference on Chemistry and the Environment (ICCE) CY - Venice, Italy DA - 11.06.2023 KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - WWTP KW - Soil KW - Plants PY - 2023 AN - OPUS4-57700 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - HR-CS-GFMAS as a promising new tool for the analysis of organo-fluorine in environmental samples N2 - New HR-CS-GFMAS based methods for organically bound fluorine detection in environmental samples. T2 - CRC Colloquium - CRC 1349 Fluorine-Specific Interactions CY - Online meeting DA - 21.06.2021 KW - HR-CS-GFMAS KW - Organically bound fluorine KW - Fluorine sum parameter KW - Environmental analysis PY - 2021 AN - OPUS4-52844 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - HR-CS-GFMAS for PFAS sum parameter analysis in surface water and soil samples N2 - Vorstellung neuer HR-CS-GFMAS basierter Analysemethoden zur Analytik von PFAS in Oberflächenwasser und Boden. T2 - 2. Online-Workshop "Emissionsmessverfahren für per- und polyfluorierte Chemikalien (PFC)" CY - Online meeting DA - 30.09.2021 KW - HR-CS-GFMAS KW - PFAS KW - Oberflächenwasser und Boden PY - 2021 AN - OPUS4-53465 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Temgoua, Ranil C. T. T1 - Hyphenated Electrochemistry Mass Spectrometry (EC MS): A Powerful Tool for Investigating the Environmental Fate of Emerging Contaminants N2 - Electrochemistry coupled to mass spectrometry (EC-MS) is emerging as a powerful and versatile technique for studying chemical transformations in various fields. This communication provides an overview of recent advances in EC-MS, focusing on its applications in drug metabolism studies, environmental degradation of xenobiotics, and green synthesis of analytical standards. EC-MS offers significant advantages over conventional methods, including in situ simulation of metabolic and environmental processes, rapid generation of transformation products, and the possibility of performing milligram-scale syntheses with a reduced environmental footprint. The major contributions of leading equipment manufacturers, such as Antec Scientific for electrochemistry and Agilent, Shimadzu, Thermo Fisher Scientific, Bruker, Waters, and Sciex for mass spectrometry, will be highlighted. Finally, a portion of our work on the ecotoxicity study of neonicotinoid pesticides, using EC-MS, will be presented to illustrate the potential of this technique. Our study investigates the formation of degradation products from electrochemical reactors (EC) for neonicotinoid insecticides and phenylurea herbicides. T2 - 29th meeting of the RCJSM (Youth Club of the French Society of Mass Spectrometry CY - Toulouse, France DA - 31.03.2025 KW - Material safety KW - Quality ensurance KW - Chemical safety PY - 2025 AN - OPUS4-63530 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Illuminating the Past, Shaping the Future: Advanced Technologies in Gold Analysis and Beamline Control N2 - The presentation explores how synchrotron radiation is used for non-destructive and highly precise analysis of gold artifacts. It explains how synchrotron radiation provides extremely bright and tunable X-rays that can examine very small areas with great accuracy. These features make it ideal for studying cultural heritage objects without damaging them. The presentation highlights case studies such as the Nebra Sky Disk, the Hiddensee gold jewelry, Phoenician ivory, and Egyptian gold from Abydos. These examples show how synchrotron-based techniques reveal details about the origin, composition, and manufacturing of ancient gold. A major focus is the Bernstorf gold discovery in Bavaria. Over several years, different analytical methods, including synchrotron X-ray fluorescence, were applied to test whether the gold was genuinely ancient. The studies found nearly pure gold, sparking debate about whether such purity could be achieved in the Bronze Age. In the final part, the presentation connects this research with modern developments in automation and artificial intelligence. It describes how beamline experiments can be controlled through the EPICS system, Python scripting, and AI tools such as ChatGPT and Whisper, enabling intelligent and voice-assisted operation. T2 - Seminar Strahlenphysikalische Anwendungen in Technik und Medizin CY - Wien, Austria DA - 29.01.2025 KW - Synchrotron KW - BAMline KW - AI KW - Gold KW - XRF PY - 2025 AN - OPUS4-64477 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rabin, Ira T1 - Imaging micro-XRF in studies of manuscripts N2 - Availability of mobile XRF-equipment with an interaction spot of ca. 100 µm produced a revolution in the studies of manuscripts. A protocol for the use of line-scans introduced in the beginning of 2000 permitted large scale and extremely successful investigations of the medieval iron-gall inks. Here, we usually focus on a comparison of the characteristic metallic components in the inks. In our work, we encountered cases that could be adequately addressed only using large area imaging XRF. However, conducting an M6 scan on a bound manuscript or on a scroll of huge dimensions is not a simple and easy matter. In our presentation, we want to share our experience by presenting a series of the case studies, in which many an original solution was found. T2 - M6 JETSTREAM European User Meeting CY - London, GB DA - 03.04.2023 KW - Micro-XRF KW - Manuscripts KW - Imaging PY - 2023 AN - OPUS4-61198 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schneider, Rudolf T1 - Immunochemical sensing of key pollution indicators in the water cycle N2 - Organic micropollutants - often termed emerging contaminants - are increasingly detected throughout the water cycle, from drinking water to wastewater. Monitoring their distribution requires trace analytical methods that are fast, cost-effective, matrix-tolerant, and ideally portable. Immunoanalytical techniques, using antibodies, nanobodies, or fragments, offer high selectivity and sensitivity, though typically in single-analyte or oligoplexing formats. To maximize their utility, environmentally relevant indicator compounds should be selected to reflect pollutant input, partial removal during treatment, and persistence in wastewater and surface water. ELISA remains a robust method for high-throughput analysis. We have assays available for the com-pounds carbamazepine, diclofenac, cetirizine, estrone, sulfamethoxazole, caffeine, cocaine, bisphenol A, and isolithocholic acid. Simpler formats like fluorescence polarization immunoassays (FPIA) and lateral flow immunoassays (LFIA)—familiar from COVID-19 rapid tests — enable on-site screening. Multiplexing is feasible with bead-based microarrays and electrochemical sensors on microfluidic platforms, which additionally offer portability and the latter even independence from optical systems. Despite these advances, the development of highly selective, high-affinity binders remains a critical bottleneck. Promising strategies to overcome this include computational hapten design, nanobody engineering, and in silico optimization of binder sequences—enhanced by artificial intelligence for targeted database mining. These approaches, coupled with scalable recombinant expression, are poised to expand the binder repertoire essential for any immunoanalytical platform. This growing repository will be key to advancing immunochemical diagnostics across the water cycle. T2 - 5th International Symposium on Nanobody for Immunological Analysis and Application CY - Guangzhou, China DA - 15.11.2025 KW - Antibodies KW - Immunoassay KW - Microfluidics KW - Biosensor KW - Trace substances KW - Electrochemical detection PY - 2025 AN - OPUS4-64923 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Soraya T1 - Immunomagnetic ochratoxin a assay with electrochemical 3,3′,5,5′ tetramethylbenzidine detection N2 - The demand for miniaturized analytical devices monitoring important parameters in the food and medical industry has increased strongly in the past decades. With fast progress, smart technologies are finding their way into our everyday life. For the future, it is, therefore, a major goal to also link analytical methods with smart technologies to create user-friendly on-site devices. In food industry the monitoring of harmful substances such as dioxins, heavy metals or mycotoxins plays a key role, since the European Commission prescribes legal limits for various food products and beverages[1]. Therefore, companies often have their own laboratories and trained personnel. For one of the most abundant and toxic mycotoxins, Ochratoxin A (OTA) we want to present an electrochemical detection system in which the read-out can be performed with a smartphone connected via Bluetooth to a miniaturized potentiostat. The recognition of OTA is performed with specific antibodies in a competitive assay format. Anti-OTA-antibodies were captured on magnetic beads on which the competitive binding between OTA and an OTA horseradish peroxidase (HRP) tracer was performed. To quantify OTA, the enzymatic reaction of the tracer with 3,3′,5,5′-tetramethylbenzidine (TMB) and H2O2 is employed. Oxidized TMB, which is enzymatically produced by the reduction of H2O2, is quantified by amperometry with screen-printed electrodes in a custom-made flow system. The results of the electrochemical detection method are in good correlation with the photometric detection of TMB. To demonstrate the applicability, we tested our system with OTA-spiked beer and performed the measurement via smartphone. T2 - 23rd JCF-Frühjahrssymposium 2021 CY - Online meeting DA - 29.03.2021 KW - Ochratoxin A KW - Cyclic voltammetry KW - Amperometry KW - Electrochemistry PY - 2021 N1 - Geburtsname von Riedel, Soraya: Höfs, S. - Birth name of Riedel, Soraya: Höfs, S. AN - OPUS4-52390 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Improvement of manufacturing processes of Li-ion batteries by Glow Discharge Optical Emission Spectroscopy N2 - Manufacturing lithium-ion coin cells (LIBs) for scientific research demands reproducibility, precision, and thorough metrology to ensure consistent quality and performance. Glow-discharge optical emission spectroscopy (GD-OES) emerges as a crucial analytical technique in this context, providing detailed insights into elemental composition and material homogeneity [1,2]. This study focuses on using GD-OES to optimize and standardize the manufacturing processes of LIBs, emphasizing metrology and traceability to develop reproducible and high-quality batteries for research purposes. We refined cell production by adjusting key parameters such as cathode doping, electrolyte concentration, and calendar pressing. GD-OES facilitated depth analysis of elemental composition and distribution, which is essential for identifying and maintaining optimal manufacturing conditions. Validation was achieved through electrochemical impedance spectroscopy (EIS), ensuring the quality and consistency of the manufactured batteries. GD-OES analysis revealed critical insights into elemental uniformity and impurities, guiding adjustments significantly improving cell performance and reproducibility. The method proved fast and effective in detecting and correcting variations in the manufacturing process, leading to enhanced battery quality. To understand the aging mechanisms, GD-OES was employed for fluorine depth profiling, which is crucial for studying polymer and electrolyte degradation. We significantly enhanced fluorine detection sensitivity by substituting the argon plasma with a neon/argon mixture, providing a more accurate aging analysis. By demonstrating the versatility and efficacy of GD-OES in optimizing LIB manufacturing processes and gaining deeper insights into aging mechanisms, this research has significant practical implications. It not only advances lab research but also offers tangible industrial benefits, including improved battery quality, extended lifespan, and enhanced performance. By ensuring metrology and traceability, GD-OES contributes to developing a robust method for the reproducible manufacturing of Li-ion coin cells, boosting innovation and sustainability in battery technology. T2 - SciX 2025 CY - Covington, KY, USA DA - 05.10.2025 KW - GD-OES KW - Battery analysis KW - Depth profile KW - Lithium-ion battery PY - 2025 AN - OPUS4-64878 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisentraut, Paul T1 - Improvements in micro- & nanoplastic mass detection by TED-GC/MS N2 - Introduction to microplastics, definition, relevance, analytical approaches & challenges. TED-GC/MS working principle, features & performance. Optimisation in TED-GC/MS methodology, new validation data. Replacement of Internal Standard, outlook towards upcoming publication and application within EU´s revised drinking water directive. T2 - SETAC 2023 CY - Dublin, Ireland DA - 01.05.2023 KW - Microplastics KW - Thermoanalytics KW - Validation KW - Internal Standard PY - 2023 AN - OPUS4-57421 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Fittschen, U. T1 - Improving surface sensitive XRF using ink jet printing and information from the angle dependent signal N2 - Total Reflection X-ray Fluorescence (TXRF) is a small footprint, ressource efficient micro-analytical tool for trace elemental determination. However, depending on the matrix TXRF is also challenging in several ways: the preparation of a representative aliquot maybe difficult for slurries, shading effects and matrix effects may occur and the applicability of an IS maybe hampered by interferences (fitting may be impaired as well) or inhomogeneities. It is therefore crucial to understand and if applicable mitigate the influence of the before mentioned phenomena. We have used the small volume approach using pL droplets to study shading in TXRF previously.Using this approach thin specimens in a favorable geometry are prepared with a well defined morphology; this way minimizing matrix effects and shading. To be used as standard it is also necessary to determine the delivered elemental amounts. Here we will present on the performance of a commercial ink-jet printer cartridge to deliver defined volumes and elemental amounts. The microscopic specimens obtained have been successfully applied to determine relative sensitivities in TXRF and prepare references to study coded apertures in grazing incidence full field micro-XRF.The homogeneous lateral distribution of analyte and IS may be probed by micro-XRF, to obtain information on alikeness of analyte and IS. To study the alikeness of the in depth distribution (film-like or particle-like) angle scans can deliver valuable data. Here we present first results on angle scans using a prototype GIXRF set up and a commercial TXRF instrument. T2 - Denver X-Ray Conference CY - Online meeting DA - 03.08.2020 KW - TXRF KW - Coded Aperture PY - 2020 AN - OPUS4-51913 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meyer, Klas T1 - Industrial Applications of benchtop NMR Spectroscopy for Quality Control of Silanes N2 - The combination of different silanes as starting materials and as a product of hydrolysis by several alcohols or water creates a range of hundreds of technical products for a wide range of applications. In recent years, functional trialkoxysilanes have proven to be multi-purpose organosilanes. Applications range from weather protection of buildings to additives for glass fiber industry, sealants, adhesives, coatings and paints to the modification of polymers. Commercial benchtop NMR spectrometers have the potential to be used in silane chemistry as an online method for reaction monitoring and quality control. NMR nuclei of interest for silane products are 1H and 29Si. In a joint research cooperation between EVONIK and BAM, the applicability of low-field NMR spectroscopy for the chemical analysis of silanes was evaluated. It was shown how it can extend the application range where existing technologies like NIR, Raman, UV/VIS, etc. cannot be used quantitatively due to a lack of reference data. In a first case study the process of hydrolysis and condensation was observed using online NMR analysis. For this purpose, the substituents of a trialkoxysilane are first hydrolyzed by adding water and corresponding silanols are formed, which can then bind to materials via SiOH functions and crosslink to form siloxane units. Another case study was dealing with the kinetics of the cleavage of a cyclic silane compound. Online NMR analysis was used both in the laboratory and in the manufacturing plant. For this purpose, a fully automated containment system was used, which enables the use of a commercial NMR spectrometer in ATEX-environments. In the third case study presented, quantitative 1H-NMR spectra were acquired on product mixtures of a trialkoxysilane and other components such as organic stabilizers, organotin compounds, an aromatic amine and organic peroxides. An automatic evaluation method based on Indirect Hard Modeling (IHM) was developed. T2 - Magritek's Spinsolve NMR Users Meeting 2021 CY - Online meeting DA - 20.04.2021 KW - NMR spectroscopy KW - Silanes KW - Process Analytical Technology KW - Quality Control PY - 2021 AN - OPUS4-52557 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meyer, Klas T1 - Industrielle Anwendungen der Niederfeld-NMR-Spektroskopie für die Qualitätskontrolle von Silanen N2 - Aus der Kombination verschiedener Silane als Ausgangsstoffe und als Produkt der Hydrolyse durch eine Reihe von Alkoholen oder Wasser ergibt sich eine Palette von hunderten technischen Produkten für verschiedenste Anwendungen. Funktionelle Trialkoxysilane haben sich in den vergangenen Jahren als vielseitig einsetzbare Organosilane erwiesen. Die Einsatzgebiete erstrecken sich vom Witterungsschutz von Bauwerken über haftvermittelnde Eigenschaften in der Glasfaserindustrie, bei Dicht- und Klebstoffen, in Farben und Lacken bis hin zur Modifizierung von polymeren Werkstoffen. Kommerzielle Benchtop-NMR-Spektrometer haben das Potential auch im Bereich der Silanchemie als Online-Methode zur Reaktionsüberwachung und für die Qualitätskontrolle eingesetzt zu werden. Interessante NMR-Kerne für die oben genanntem Produkte sind 1H und 29Si. In einer gemeinsamen Forschungskooperation zwischen EVONIK und BAM wurde anhand verschiedener Fallstudien die Anwendbarkeit der Niederfeld-NMR-Spektroskopie zur chemischen Analyse von Silanen evaluiert. Die Möglichkeiten der Konzentrationsbestimmung erweitern die Anwendungsgebiete, in denen bestehende Technologien wie z. B. NIR, Raman, UV/VIS, etc. mangels Referenzdaten nicht quantitativ eingesetzt werden können. Eine Fallstudie setzte dazu an, den Hydrolyse- und Kondensationsverlauf mit geeigneter Online-NMR-Analytik zu beobachten, den Reaktionsfortschritt der Hydrolyse und Kondensation auf dieser Basis besser zu verstehen und zu optimieren. Zu diesem Zweck werden durch Zugabe von Wasser zunächst die Alkoxysubstituenten eines Trialkoxysilans hydrolysiert und entsprechende Silanole gebildet. Diese können dann über eine SiOH-Funktion an den zu modifizierenden Werkstoff anbinden und über weitere Silanolgruppen unter Ausbildung von Siloxaneinheiten vernetzen. In einer weiteren Fallstudie wurde die Kinetik der Aufspaltungen einer cyclischen Silanverbindung untersucht. Die Online-NMR-Analytik kam hierbei sowohl im Labor als auch in der industriellen Produktionsanlage zum Einsatz. Hierfür wurde eine automatisierte Einhausung verwendet, welche den Einsatz eines kommerziellen NMR-Spektrometers in explosionsgeschützten Bereichen ermöglicht. T2 - Praktische Probleme der Kernresonanzspektroskopie CY - Online meeting DA - 16.03.2021 KW - NMR-Spektroskopie KW - Benchtop-NMR KW - Silane KW - Prozessanalytik PY - 2021 AN - OPUS4-52298 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wilke, Olaf A1 - Poelke, Birte A1 - Klein, Luise A1 - Rohloff, Alexander A1 - Hoffmann, Holger T1 - Initial VOC Emissions from Consumer Products Determined in Micro-Scale Test Chambers: Results of a Round Robin Test N2 - Emissions of volatile organic compounds (VOCs) from consumer products may have a negative impact on indoor air quality, potentially also affecting human wellbeing. Since consumers may be exposed to these VOCs immediately after e.g. unwrapping of newly purchased products, reliable analytical methods are needed to determine air concentration profiles in the early phase of VOC emissions. Concerning typical sample sizes of consumer products, micro-scale test chambers (μ-chambers) were considered suitable for this purpose. In addition, compared to medium- or large-scale test chambers, μ-chambers require lower initial investment and operational costs, and offer options for emissions screenings where higher sample throughput is essential. For these reasons, a μ-chamber-based method to determine initial concentrations of VOCs emitting within the first hours of simulated product use was developed. The chamber air was frequently sampled on desorption tubes loaded with Tenax® TA, followed by quantification of emitted VOCs via thermal desorption gas chromatography mass spectrometry (TD-GC-MS). The method was assessed in a round robin test involving eight participating laboratories from 2 countries. Pieces of a rain poncho (sample area A: 2.01·10-4 m2) emitting cyclohexanone, phenol, 2-ethylhexanol, naphthalene and isophorone in significant concentrations were distributed as sample material. Each laboratory conducted triplicate emission tests over a period of 48 h in μ-chambers with volumes of 44 or 114 mL. The loading factors L of 4.57 m2·m-3 (44 mL) or 1.76 m2·m-3 (114 mL) and air flow rates of 24 mL·min-1 resulted in area-specific air flow rates q of 7.17 m3·m-2·h-1 in both chamber types. The temperature was set to 23°C and, if possible, relative humidity was set to approx. 50%. The chamber air was sampled after 0.5, 1, 2, 4, 24 and 48 hours. In addition, to assess the analytical performance, each participating laboratory received two analyte-spiked Tenax® TA-loaded desorption tubes for quality control (QC). Very low relative standard deviations (11–17%) were obtained for the QC test. The results of the emissions tests in the early phase (0.5–4 h) were also adequate, with acceptable z scores (|z|≤2.00) received by six to seven participating laboratories. All eight laboratories obtained acceptable z scores after the longer sampling periods (24 and 48 h). Hence, the inter-laboratory comparability of the results obtained with the developed μ-chamber method was successfully confirmed. T2 - Healthy Buildings Europe 2025 CY - Reykjavik, Iceland DA - 08.06.2025 KW - VOC Emissions KW - Consumer Product KW - Test Chamber KW - Round Robin Test PY - 2025 AN - OPUS4-63706 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rabin, Ira T1 - Ink Analysis of Relic Texts N2 - The presentation will show the multitude of black writing inks in use during the late Antiquity and early Middle Ages in Europa and the Near East and our attempt to follow up the transition of the inks from those based on soot to the iron-gall inks commonly used in the Middle Ages. Black writing inks in the period under consideration can be divided into three different classes: soot, tannin and iron-gall ink. The first one is a fine dispersion of carbon pigments in a water-soluble binding agent, the second one is a solution of plant extract from tree barks or gallnuts, while the third one contains both soluble and insoluble phases. This last ink is based on metal (iron) and is produced by a chemical reaction of soluble iron (II) with tannin in aqueous solution. Tracing the transition from writing inks based on carbon pigments (soot or charcoal), common in Antiquity to the iron-gall inks commonly used in the Middle Ages builds a focus of our investigative work at the BAM (Federal Institute of Material Analysis and Testing). In this context, we will discuss the results of the ink analysis obtained within the project “Crafting documents”. T2 - Heritage Science and Manuscripts from Antiquity and the Middle Ages CY - Oxford, United Kingdom DA - 13.11.2025 KW - Ink KW - Historic ink PY - 2025 AN - OPUS4-64772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rabin, Ira T1 - Inks in Early Medieval Manuscripts from Chelles: a Scientific Study N2 - The talk will start with the overview of the ink types and the methods of their characterisation. After displaying XRF spectra of different Carolingian inks the talk will discuss Chelles collection and the labels attributed to Chelles. We will concentrate then on the study of the Chelles manuscripts preserved in Cologne, Vatican and Paris. We will show that there is a good degree of coincidence between the inks of the Chelles manuscripts and the labels attributed to Chelles. We observe unusually early use of vitriolic ink north of the Alps. T2 - Leeds International Medieval Congress (IMC 2025) CY - Leeds, United Kingdom DA - 07.07.2025 KW - Ink KW - Historic ink PY - 2025 AN - OPUS4-64778 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Insights into materials with hard x-rays: capabilities of the bamline N2 - This contribution provides an overview of the BAMline synchrotron radiation beamline, which specializes in hard X-ray spectroscopy techniques for materials research. The BAMline offers X-ray absorption spectroscopy (XAS), x-ray fluorescence spectroscopy (XRF), and tomography to study materials' electronic structure, chemical composition, and structure. Key capabilities include standard and dispersive XAS for electronic structure, micro-XRF for elemental mapping, coded aperture imaging, and depth-resolved grazing exit XAS. The BAMline enables in situ characterization during materials synthesis and functions for energy, catalysis, corrosion, biology, and cultural heritage applications. Ongoing developments like the implementation of machine learning techniques for experiment optimization and data analysis will be discussed. For instance, Bayesian optimization is being used to improve beamline alignment and scanning. An outlook to the future, where the BAMline will continue pioneering dynamic and multi-scale characterization, aided by advanced data science methods, to provide unique insights into materials research, will be given. T2 - μ-XRF at Elettra 2.0: challenges and opportunities CY - Trieste, Italy DA - 11.09.2023 KW - Synchrotron KW - XRF KW - XANES KW - Bayes PY - 2023 AN - OPUS4-58607 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrated and Networked Systems and Processes - How NMR Spectroscopy Can Transform our Chemical and Pharmaceutical Production N2 - Chemical and pharmaceutical companies need to find new ways to survive successfully in a changing environment, while finding more flexible ways of product and process development to bring their products to market faster - especially high-value, high-end products such as fine chemicals or pharmaceuticals. This is complicated by changes in value chains along a potential circular economy. One current approach is flexible and modular chemical production units that use multi-purpose equipment to produce various high-value products with short downtimes between campaigns and can shorten time-to-market for new products. Online NMR spectroscopy will play an important role for plant automation and quality control, as the method brings very high linearity, matrix independence and thus works almost calibration-free. Moreover, these properties ideally enable automated and machine-aided data analysis for the above-mentioned applications. Using examples, this presentation will outline a possible more holistic approach to digitalization and the use of machine-based processes in the production of specialty chemicals and pharmaceuticals through the introduction of integrated and networked systems and processes. T2 - 43rd FGMR Annual Discussion Meeting CY - Karlsruhe, Germany DA - 12.09.2022 KW - Digital Transformatioin KW - Process Industry KW - Pharmaceuticals KW - Specialty Chemicals KW - Automation KW - Online NMR Spectroscopy KW - Industry 4.0 PY - 2022 AN - OPUS4-55715 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrated and Networked Systems and Processes – A Perspective for Digital Transformation in (Bio) Process Engineering N2 - The competitiveness of the process industry is based on ensuring the required product quality while making optimum use of equipment, raw materials and energy. Chemical companies have to find new paths to survive successfully in a changing environment, while also finding more flexible ways of product and process development to bring their products to market more quickly – especially high-quality high-end products like fine chemicals or pharmaceuticals. The potential of digital technologies belongs to these. One way is knowledge-based production, taking into account all essential equipment, process and regulatory data of plants and laboratories. Today, the potential of this data is often not yet consistently used for a comprehensive understanding of production. Another approach uses flexible and modular chemical plants, which can produce different high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce the time to market of new products. Digital transformation is enabling completely new production concepts that are being used increasingly. Intensified continuous production plants also allow for difficult to produce compounds. This contribution aims to encourage a more holistic approach to the digitalization and use of machine-assisted methods in (bio) process engineering by introduction of integrated and networked systems and processes, which have the potential to speed up the high-quality production of specialty chemicals and pharmaceuticals. T2 - 6th BioProScale Symposium - industrial scale bioprocess intensification from process development to large-scale understanding CY - Online meeting DA - 29.03.2021 KW - Industry 4.0 KW - Biotechnology KW - Bio engineering KW - Process Analytical Technology KW - BioProScale KW - Artificial Neural Networks PY - 2021 UR - https://biotechnologie.ifgb.de/node/648 AN - OPUS4-52371 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrated and networked systems and processes – A perspective for digital transformation of our chemical and pharmaceutical production N2 - Chemical and pharmaceutical companies have to find new paths to survive successfully in a changing environment, while also finding more flexible ways of product and process development to bring their products to market more quickly – especially high-quality high-end products like fine chemicals or pharmaceuticals. The potential of digital technologies belongs to these. A current approach uses flexible and modular chemical production units, which can produce different high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce the time to market of new products. At the same time, we need to move towards knowledge-based production that takes into account all essential equipment, process and control data from plants and laboratories and makes valuable expertise available and transferable. The potential of data from production together with its contextual information is often not yet consistently used today for a comprehensive understanding of production. By giving examples this paper outlines a possible more holistic approach to digitalisation and the use of machine-based methods in the production of specialty chemicals and pharmaceuticals through the introduction of integrated and networked systems and processes. T2 - GDCh Science Forum 2021 - GDCh Wissenschaftsforum 2021 CY - Online meeting DA - 29.08.2021 KW - Process analytical technology KW - Online NMR spectroscopy KW - Process industry KW - Industry 4.0 KW - Digital transformation KW - Autonomous chemistry PY - 2021 AN - OPUS4-53171 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrierte und vernetzte Systeme und Prozesse – Prozessnahe Sensorik für die digital transformierte Prozessindustrie N2 - Unternehmen der Prozessindustrie müssen neue Wege finden, um in einem sich wandelnden Umfeld erfolgreich zu überleben, und gleichzeitig flexiblere Wege der Produkt- und Prozessentwicklung finden, um ihre Produkte schneller auf den Markt zu bringen – insbesondere hochwertige, hochwertige Produkte wie Feinchemikalien oder Arzneimittel. Dies wird zukünftig durch Veränderungen in den Wertschöpfungsketten entlang einer potenziellen Kreislaufwirtschaft erschwert. Anhand von Beispielen wird in diesem Vortrag ein möglicher ganzheitlicher Ansatz zur Digitalisierung und zum Einsatz maschineller Verfahren in der Produktion von Spezialchemikalien durch die Einführung integrierter und vernetzter Systeme und Prozesse skizziert. Es wird auch auf die aktuelle Technologie-Roadmap „Prozess-Sensoren 2027+“ eingegangen, die Ende 2021 erschienen ist. Im Zentrum dieser Roadmaps stehen Sensoren zur Erfassung von physikalischen und chemischen Messgrößen mittels spezifischer und unspezifischer Messverfahren, die zur Steuerung und dem besseren Verständnis von Prozessen dienen. Die Roadmap fasst die gemeinsame Technologie- und Marktsicht von Anwendern, Herstellern und Forschungs¬einrichtungen im Bereich Prozess-Sensorik in der verfahrenstechnischen Industrie zusammen. Digitalisierung und Nachhaltigkeit sind übergreifende Kernthemen der künftigen Entwicklung. T2 - 11. Fachtagung Prozessnahe Röntgenanalytik PRORA CY - Berlin, Germany DA - 24.11.2022 KW - Digital Transformatioin KW - Prozessindustrie KW - Sensorik KW - Prozessanalytik KW - Industrie 4.0 KW - PRORA PY - 2022 AN - OPUS4-56391 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrierte und vernetzte Systeme und Prozesse – Eine Perspektive für das Messen in der Prozessindustrie N2 - Anhand von Beispielen wird in diesem Vortrag ein möglicher ganzheitlicherer Ansatz für die Digitalisierung und den Einsatz maschinengestützter Prozesse bei der Herstellung von Spezialchemikalien und Arzneimitteln durch die Einführung integrierter und vernetzter Systeme und Prozesse skizziert. Ein aktueller Ansatz und ein Beispiel in diesem Vortrag sind flexible und modulare chemische Produktionseinheiten, die Mehrzweckanlagen nutzen, um verschiedene hochwertige Produkte mit kurzen Stillstandszeiten zwischen den Kampagnen herzustellen und die Markteinführungszeit für neue Produkte zu verkürzen. Als zweites Beispiel wird kurz die Testplattform Wasserstofftankstelle vorgestellt, die als moderne Anlage der Prozessindustrie betrachtet werden kann, vergleichbar mit einer Anlage aus der chemischen oder pharmazeutischen Industrie. An ihr lassen sich alle derzeit entlang der Digitalen Transformation diskutierten Konzepte implementieren, um sie zu standardisieren und zu validieren. Dazu gehören Konzepte zur Konnektivität von Sensoren und Aktoren aus der Feldebene in höhere Ebenen der Automatisierung oder zur Einbringung zusätzlicher Sensoren oder Sensornetzwerke, die zunehmend flexibler gestaltet werden soll, die sichere und nachvollziehbare Parametrierung von Automatisierungskomponenten – vielleicht aus einem digitalen Abbild (Verwaltungsschale bzw. „Digitaler Zwilling“) heraus, Konzepte zur vorausschauenden Wartung („Predictive Maintenance“), Konzepte zu digitalen Entscheidungsprozessen, Zertifikaten und Signaturen oder der zunehmende Einsatz von komplexen Auswertungsalgorithmen und Applikationen in der Feldebene („Embedded Computing“) oder der „Kante“ zu Cloudbasierten Systemen der Informationstechnik („Edge-Computing“). Die beiden Beispiele sollen aktuelle Entwicklungsachsen des industriellen Messwesens im Rahmen der industriellen Automation aufzeigen, in denen Messwerte, deren Messunsicherheiten und Kontextinformationen eine wichtige Rolle einnehmen. T2 - 324. PTB-Seminar: Berechnung der Messunsicherheit – Empfehlungen für die Praxis CY - Berlin, Germany DA - 22.05.2023 KW - Messunsicherheit KW - Prozessindustrie KW - Datenerfassung KW - QI-Digital KW - Online-NMR-Spektroskopie PY - 2023 UR - https://www.ptb.de/cms/de/ptb/fachabteilungen/abt8/fb-84/ag-842/seminare/324-ptb-seminar-berechnung-der-messunsicherheit-empfehlungen-fuer-die-praxis.html AN - OPUS4-57533 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Integrierte und vernetzte Systeme und Prozesse – Eine Perspektive für die smarte Laborinfrastruktur N2 - Chemie- und Pharmaunternehmen müssen neue Wege gehen, um in einem sich wandelnden Umfeld erfolgreich zu überleben, und gleichzeitig flexiblere Wege der Produkt- und Prozessentwicklung finden, um ihre Produkte schneller auf den Markt zu bringen - vor allem hochwertige High-End-Produkte wie Feinchemikalien oder Arzneimittel. Dazu gehört auch das Potenzial der digitalen Technologien, um ein umfassenderes Wissensmanagement zu ermöglichen. Eine wichtige Wissensquelle sind analytische Labors, die Unternehmensweit aktiv sind – von F&E bis zur Produktion. Die ganzheitliche Einbindung von analytischen Labors und ein unternehmensweites Daten- und Wissensmanagement sind wichtige Bausteine zur Integration und Vernetzung aller Systeme und Prozesse. Das Potenzial von Daten aus der Produktion mit ihren Kontextinformationen wird heute oft noch nicht konsequent für ein umfassendes Verständnis der Produktion genutzt. Dieser Beitrag skizziert anhand von Beispielen einen möglichen ganzheitlicheren Ansatz zur Digitalisierung und zum Einsatz maschineller Verfahren in der Produktion von Spezialchemikalien und Pharmazeutika durch die Einführung integrierter und vernetzter Systeme und Prozesse. T2 - 6. Analytik-Tag des Institut für Energie- und Umwelttechnik e.V. (IUTA) CY - Duisburg, Germany DA - 10.11.2022 KW - Prozessindustrie KW - Online-NMR-Spektroskopie KW - Prozessanalytik KW - Digitalisierung KW - Datenauswertung KW - IUTA PY - 2022 AN - OPUS4-56226 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael T1 - Interlaboratory comparison of benchtop NMR spectrometers – Purities at 200 and 10 mmol/L N2 - Due to its advantages of being a direct comparison method, quantitative NMR spectroscopy (qNMR) becomes more and more popular in industry. While conventional high-field NMR systems are often associated with high investment and operational costs, the upcoming market of permanent-magnet based benchtop NMR systems show a considerable option for a lot of applications. The mobility of these systems allows to bring them more closely to the real production environment, e.g. for at-line quality control. In this work we present an interlaboratory comparison study investigating the qNMR performance of state-of-the-art benchtop NMR spectrometers. Therefore, BAM prepared two samples of a mixture of NMR reference standards tetramethylbenzene (TMB) and tetrachloronitrobenzene (TCNB) at concentration levels of 200 mM and 10 mM. These “ready-to-use” samples were sent to participant laboratories, which performed analysis on their benchtop NMR equipment of different vendors and fields from 43 to 80 MHz. Raw data was reported back and further investigated by using different data analysis methods at BAM. After this very first qNMR comparison study of benchtop NMR spectrometers show promising results, following studies are planned to cover more parts of the qNMR process, e.g. sample preparation and weighing, but also data analysis, as commonly done in similar studies for high-field NMR spectroscopy in industry and metrology. T2 - The United States Pharmacopeial Convention (USP) Emerging Technologies Workshop & Roundtable CY - Online meeting DA - 17.11.2020 KW - Quantitative NMR Spectroscopy KW - QNMR KW - Purity KW - Interlaboratory Comparison KW - Low-field NMR Spectroscopy PY - 2020 UR - https://www.cvent.com/events/emerging-technologies-workshop-roundtable-quantitative-nmr-and-digital-data-applications-overview-an/event-summary-f128e4bfbedc48d6946f554ea719d6b1.aspx?dvce=1 AN - OPUS4-51526 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogel, Christian T1 - Investigating the Thermal Decomposition of PFAS in a Full-Scale Commercial Hazardous Waste Incinerator N2 - Incineration is currently the only commercial full-scale technology available to destroy per- and polyfluoroalkyl substances (PFAS) in large solid and liquid waste streams. Given previous experience of dioxin formation during halogenated waste incineration, concerns about the emission of products of incomplete destruction (PIDs) from PFAS incineration exist. The overarching objective of this project is to track the fate of fluorine during full-scale hazardous waste incineration in order to demonstrate the readiness, viability, and level of safety for thermal PFAS destruction in various waste streams. The specific objectives of this project are (1) to enhance our understanding of key variables and conditions on PFAS incineration performance, (2) to identify major PIDs under insufficient treatment conditions, (3) to explore the catalytic role of fly ash and other process-relevant surfaces in thermal PFAS decomposition, and (4) to determine the potential formation of polyfluorinated dibenzodioxins and dibenzofurans. T2 - CEN/TC 264/WG48 Symposium - Emissions and ambient air - Determination of PFAS CY - Düsseldorf, Germany DA - 16.07.2025 KW - Per- and polyfluoroalkyl substances (PFAS) KW - Incineration PY - 2025 AN - OPUS4-63714 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Winckelmann, Alexander T1 - Investigation of degradation of the aluminum current collector in lithium-ion batteries by GD-OES N2 - Lithium-ion batteries (LIBs) are one technology to overcome the challenges of climate and energy crisis. They are widely used in electric vehicles, consumer electronics, or as storage for renewable energy sources. However, despite innovations in batteries' components like cathode and anode materials, separators, and electrolytes, the aging mechanism related to metallic aluminum current collector degradation causes a significant drop in their performance and prevents the durable use of LIBs. Glow-discharge optical emission spectroscopy (GD-OES) is a powerful method for depth-profiling of batteries' electrode materials. This work investigates aging-induced aluminum deposition on commercial lithium cobalt oxide (LCO) batteries' cathodes. The results illustrate the depth-resolved elemental distribution from the cathode surface to the current collector. An accumulation of aluminum is found on the cathode surface by GD-OES, consistent with results from energy-dispersive X-ray spectroscopy (EDX) combined with focused ion beam (FIB) cutting. In comparison to FIB-EDX, GD-OES allows a fast and manageable depth-profiling. Results from different positions on an aged cathode indicate an inhomogeneous aluminum film growth on the surface. The conclusions from these experiments can lead to a better understanding of the degradation of the aluminum current collector, thus leading to higher lifetimes of LIBs. T2 - Empa Group Meeting CY - Dübendorf, Switzerland DA - 22.11.2022 KW - Lithium Ion Batteries KW - GD-OES KW - FIB KW - SEM KW - EDX PY - 2022 AN - OPUS4-56584 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lutz, C. T1 - Investigation on Vanadium Crossover in Nafion ™ and Novel PVDF Based Membranes for Vanadium Redox Flow Batteries N2 - Vanadium redoxflow batteries (VRFB)are currently one of the most promising candidates for stationary energys torage.For large scale applications the ion conducting membranes currently in use need to be improved. Ideally,they need to become more cost efficient and selective regarding the vanadium crossover.For a better understanding of the vanadium crossover, the development of reliable analytical methods and procedures, that elucidate uptake and transport of vanadium ions in the membrane, is necessary. First, we present the uptake of V2+,V3+,VO2+, VO2+ and V2O33+ in Nafion™ and in a novel membrane based onpoly(1,1-difluoroethylene)(PVDF). In preliminary discharge/charge experiments the ETFE-based membrane, the precursor of PVDF-based membrane, performed comparable to Nafion™. The methods of choice for speciation are UV/Vis and X-ray absorption near edge structure spectroscopy (XANES). According to the results, V2O33+, formed from VO2+ and VO2+, diffuses also into the membrane. In present models, the diffusion of V2O33+ is neglected. In addition,we study whether reactions could take place inside the membranes’ nanoscopic water body using XANES. Exposing Nafion™ from one site with V3+a nd from the other site with VO2+ realized the experiment. The results verified that VO2+ was formed inside the membrane. However,in present models reactions inside the membrane are neglected, too. T2 - Denver X-Ray Conference CY - Online meeting DA - 03.08.2020 KW - Batteries KW - BAMline KW - XANES KW - VRF PY - 2020 AN - OPUS4-51909 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - IRWG strategy update N2 - An update of the IRWG strategy for the period 2023-2030 is given. The status and the futuere work of the task group on quantities, symbols and units is discussed. The present status of IRWG comparisons is shown and the need for specific key comparisons is discussed. T2 - CCQM IRWG Meeting CY - Sevres, France DA - 24.04.2023 KW - Isotope ratio KW - Traceability KW - Metrology PY - 2023 AN - OPUS4-57400 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Jens T1 - Is LIBS ready for the future? N2 - Recent years have brought up many challenges for an analytical tracing of material flows. While planetary boundaries force end of life material into circular recycling pathways, geopolitical tension creates demands regarding the origin of raw materials. The analytical demands on any instrumentation to tackle the arising challenges of this scenario are straight forward: No sample preparation, precision in the percentage region, and high throughput at comparably low cost. All these demands make LIBS a perfect candidate, why it is time for a re-evaluation of how it exploits the potential possibilities arising from todays’ technology. While being a relatively young technique, the vast majority of conducted LIBS experiments still relies on well established instrumentation, sometimes ignoring the innovations and breakthroughs in the development of its empowering technology sectors such as battery powered compact high repetition rate lasers with tuneable pulse rate and length, low priced cameras with millions of small sized pixels and extremely fast shutter and readout times, optical modulators, galvonometer scanners, and simple robotics. In this talk we will showcase some examples on how the implantation of all these new tools can lead to extremely affordable and compact instrumentation with unprecedented acquisition speed and a spectral resolution sufficient to resolve atomic isotope lines. T2 - FACCS SCiX CY - Raleigh, NC, USA DA - 20.10.2024 KW - LIBS KW - Isotopes KW - Instrumentation PY - 2024 AN - OPUS4-61970 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Recknagel, Sebastian T1 - ISO-Guide 35 in der Praxis eines RM-Herstellers N2 - Der ISO-Guide 35 beschreibt die notwendigen Schritte zur Herstellung von zertifizierten Referenzmaterialien. Anhand praktischer Beispiele wird die Umsetzung des Guide 35 in der BAM dokumentiert. T2 - DAkkS-Begutachterschulung Modul E zur Akkreditierung von Eignungsprüfungsanbietern und Referenzmaterialherstellern CY - Online meeting DA - 04.02.2021 KW - ISO-Guide 35 KW - Referenzmaterial-Herstellung KW - ZRM PY - 2021 AN - OPUS4-52099 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Isotope analysis by high-resolution optical spectroscopy: a tool for planetary science N2 - Isotope analysis can be used to determine the age and provenance of geological samples. Modern techniques in optical spectrometry allow us a stand-off isotope analysis. This seminar will discuss how planetary science with the next Moon and Mars missions drive optical spectrometry into precise and accurate isotope analysis and how BAM will contribute. T2 - Adlershofer Kolloquium CY - Online meeting DA - 19.05.2020 KW - Provenance KW - Dating KW - Isotopes KW - Optical spectroscopy KW - Isotopic shift KW - Planetary science PY - 2020 AN - OPUS4-51995 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Isotope analysis through the integration of chemometrics into optical spectroscopy N2 - Lithium (Li), Boron (B), Nitrogen (N), Magnesium (Mg), and Calcium (Ca) are pivotal elements across various spheres such as the hydrosphere, biosphere, and lithosphere, significantly impacting (bio-) geochemical and physiological processes. These elements exhibit stable isotopes with substantial roles in geological, environmental, and biological studies. The traditional method for measuring isotope amount ratios has been through mass spectrometry, which, despite its accuracy, comes with high operational costs, the need for skilled operators, and time-consuming sample preparation processes. Combining optical spectroscopy with chemometrics introduces an innovative, cost-effective approach by the hand of high-resolution continuum source atomic and molecular absorption spectrometry (HR-CS-AAS and HR-CS-MAS) for the analysis of isotope ratios in Li, B, N, Mg, and Ca. By analyzing the atomic or molecular absorption spectrum of the in-situ generated cloud of atoms of diatomic molecules (e.g., Li, BH, NO, MgF, CaF) during the electronic transition from the fundamental state, this method allows for the rapid determination of isotope ratios directly from sample solutions without the need for complex sample preparation. For each element, the respective atomic or molecule's absorption spectrum was deconvoluted into its isotopic components using partial least squares regression or machine learning algorithms. Robust calibration models were developed, calibrated with enriched isotope, and validated against certified reference materials. Spectral data underwent preprocessing to optimize the modeling to determine the optimal number of latent variables. The findings showcase that this optical spectrometric method yields results that agree with those obtained via inductively coupled plasma mass spectrometry (ICP-MS), offering a promising, cost-effective, and rapid alternative for isotope analysis with precisions as low as ± 0.2‰. This approach is a significant advancement in analytical chemistry, providing a new way to study isotope variations in biological, environmental, and geological samples. T2 - Analytica Conference CY - Munich, Germany DA - 09.04.2024 KW - Isotopes KW - HR-CS-MAS KW - Chemometrics KW - Lithium KW - Boron KW - Magnesium KW - Nitrogen PY - 2024 AN - OPUS4-59946 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Isotope Ratio Analysis N2 - Basic information on isotope ratio analysis is provided. Isotope fractionation is discussed and the measurement process is described. Additionally, practical examples are provided. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope fractionation KW - Mass spectrometry KW - Terminology PY - 2023 AN - OPUS4-59164 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Isotope Ratio Measurement - Quantities and calibration N2 - The quantities and the terminoly in isotope ratio measurements is presented, followed by explaining calibration approaches for isotope ratio measurements. Sources of error and bias are presented and special focus is given on single detector mass spectrometry. T2 - Workshop & Training "Isotope Ratio Analysis" CY - Pathum Thani, Thailand DA - 06.12.2023 KW - Isotope fractionation KW - Matrix separation KW - Interferences KW - Noise KW - Optimization PY - 2023 AN - OPUS4-59165 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen T1 - Isotope ratio working group at CCQM N2 - The presentation gives the reasons for initiation of an isotope ratio working group at CCQM level, describes the process and provides the auduince with the initial working plan. T2 - EURAMET TC-MC Workshop on Isotope Ratio Analysis CY - Bern, Switzerland DA - 05.02.2020 KW - Metrology KW - Absolute isotope ratio KW - Isotope ratio KW - Delta value PY - 2020 AN - OPUS4-50344 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Raab, A. A1 - Vogl, Jochen A1 - Solovyev, N. T1 - Isotope signature of iron, copper and zinc in mouse models (L66 and 5XFAD) and their controls used for dementia research N2 - Introduction: The influence of copper, iron and zinc concentrations on the formation of ß-amyloid plaques and neurofibrillary tangles in Alzheimer’s disease (AD) is widely discussed in the community. The results from human and animal studies so far are mixed with some studies showing a correlation and others not. From a number of studies, it is known that disease state and isotopic composition of essential elements can be coupled. Aim: The aim of the study was to identify changes in element content and isotopic composition in two transgenic mouse models used in AD research compared to their genetic WT relatives and to establish whether element content and isotopic signature between different laboratories is comparable. Methods: ß-amyloid (5xFAD) and tau overexpressing (L66) mice together with their matching wild-types were bred at dedicated facilities in accordance with the European Communities Council Directive (63/2010/EU). Serum and brain were sampled after sacrifice and the samples distributed among the participants of the study. The tissues were acid digested for total element determination and high-precision isotope ratio determination. Element content was determined by either sector-field or quadrupole-based inductively coupled plasma mass spectrometry (ICPMS). For the determination of isotope ratios multi-collector ICPMS was used. Results: Total copper content was significantly higher for L66 and their matched WT compared to 5xFAD and WT. Brains of L66 mice contained more Fe in brain than their WT, Zn and Cu were not significantly different between L66 and WT. Whereas 5xFAD mice had a slightly lower Cu and slightly higher Zn concentration in brain compared to WT. The isotopic signature in brain of L66 mice for Fe was different from their controls, whereas Zn isotope ratios were influenced in 5xFAD mice compared to their WT. The Cu isotopic ratio did not seem to be influenced in either strain. In serum, the shifts were less pronounced. Conclusion: Even though neither Tau-protein nor amyloid precursor protein are known to be metal-dependent / -containing proteins, the overexpression of both influences the Fe, Cu and Zn metabolism in brain and to some extent also in serum as can be seen not only using total element determination but probably more clearly studying the isotopic signature of Fe, Cu and Zn. T2 - The International Conference of Trace Elements and Minerals (ICTEM) 2022 CY - Aachen, Germany DA - 05.06.2022 KW - Isotope ratio KW - Isotope delta value KW - Metrology KW - Alzheimer disease KW - Measurement uncertainty PY - 2022 AN - OPUS4-55204 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Raab, A. A1 - Solovyev, N. A1 - El-Kathib, Ahmed A1 - Vogl, Jochen A1 - Costas-Rodriguez, M. T1 - Isotope signature of iron, copper and zinc in mouse models (L66 and 5XFAD) and their controls used for dementia research N2 - Introduction: The influence of copper, iron and zinc concentrations on the formation of ß-amyloid plaques and neurofibrillary tangles in Alzheimer’s disease (AD) is widely discussed in the community. The results from human and animal studies so far are mixed with some studies showing a correlation and others not. From a number of studies, it is known that disease state and isotopic composition of essential elements can be coupled. Aim: The aim of the study was to identify changes in element content and isotopic composition in two transgenic mouse models used in AD research compared to their genetic WT relatives and to establish whether element content and isotopic signature between different laboratories is comparable. Methods: ß-amyloid (5xFAD) and tau overexpressing (L66) mice together with their matching wild-types were bred at dedicated facilities in accordance with the European Communities Council Directive (63/2010/EU). Serum and brain were sampled after sacrifice and the samples distributed among the participants of the study. The tissues were acid digested for total element determination and high-precision isotope ratio determination. Element content was determined by either sector-field or quadrupole-based inductively coupled plasma mass spectrometry (ICPMS). For the determination of isotope ratios multi-collector ICPMS was used. Results: Total copper content was significantly higher for L66 and their matched WT compared to 5xFAD and WT. Brains of L66 mice contained more Fe in brain than their WT, Zn and Cu were not significantly different between L66 and WT. Whereas 5xFAD mice had a slightly lower Cu and slightly higher Zn concentration in brain compared to WT. The isotopic signature in brain of L66 mice for Fe was different from their controls, whereas Zn isotope ratios were influenced in 5xFAD mice compared to their WT . The Cu isotopic ratio did not seem to be influenced in either strain. In serum, the shifts were less pronounced. Conclusion: Even though neither Tau-protein nor amyloid precursor protein are known to be metal-dependent / -containing proteins, the overexpression of both influences the Fe, Cu and Zn metabolism in brain and to some extent also in serum as can be seen not only using total element determination but probably more clearly studying the isotopic signature of Fe, Cu and Zn. T2 - International Conference of Trace Elements and Minerals CY - Aachen, Germany DA - 05.06.2022 KW - Isotope delta value KW - Copper KW - Zinc KW - Iron KW - Dementia PY - 2022 AN - OPUS4-58230 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Isotopic analysis by high-resolution optical spectroscopy N2 - Isotope analysis can be used to determine the age and provenance of geological samples or to study dynamic systems like Li-ion batteries. Modern techniques in optical spectrometry allow us a fast and slow-cost isotope analysis. These techniques include high-resolution continuum source molecular absorption spectrometry (HR-CS-MAS) and laser ablation molecular isotopic spectrometry. This seminar will discuss our recent work on precise and accurate isotope analysis of boron, magnesium, and lithium with geology, climate, and energy research applications. T2 - Recent Trends in Chemical Science and Technology, Christian College Chengannur, India CY - Online meeting DA - 29.09.2020 KW - Isotopes KW - Optical spectrometry KW - Machine learning PY - 2020 AN - OPUS4-51997 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Vogl, Jochen A1 - Irrgeher, J. T1 - IUPAC Commission on Isotopic Abundances and Atomic Weights its history, role, and work N2 - This presentation provides a short introduction to the Commission on Isotopic Abundances and Atomic Weights (CIAAW). It describes the role of the Commission and provides an insight into its work and the corresponding principal tasks. Finally, it provides the reader with the latest achievements and with the most recent publications. T2 - IUPAC Virtual General Assembly CY - Online meeting DA - 25.07.2023 KW - Absolute isotope ratio KW - Atomic weights KW - Metrology KW - Traceability KW - Isotope reference material PY - 2023 AN - OPUS4-58013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schneider, Rudolf T1 - Keeping the Y N2 - The talk traces my career path and presents BAM as an attractive employer. It also offers advice on shaping one's own career after PhD. T2 - IWC Alumni Day 2025 CY - Garching bei München, Germany DA - 04.07.2025 KW - Antibodies KW - ELISA KW - Career PY - 2025 AN - OPUS4-63640 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Paul, Andrea T1 - Kombinierte Bestimmung von Wasserstoff in Gasgemischen mittels Raman- und NMR-Spektroskopie N2 - Vorgestellt wird die Nutzung von Online tauglichen Raman- und NMR-Spektrometern zur Quantifizierung des Wasserstoffmolanteils in gravimetrisch hergestellten Primärgasstandards unter Labor-Bedingungen. Es zeigte sich, dass Matrixeffekte insbesondere bei der Raman-Spektroskopie vernachlässigbar sind für die Quantifizierung von H2. Aufgrund der leichten Handhabbarkeit und der geringen Messunsicherheiten ergibt sich eine potenzielle Anwendung von Raman- und NMR-Spektroskopie unter Feldbedingungen als Online-Messeinheit im Bereich 5-100 cmol/mol Wasserstoff. T2 - 19. PAT Erfahrungsaustauschtreffen CY - Basel, Switzerland DA - 17.09.2024 KW - Raman KW - NMR KW - Wasserstoff PY - 2024 AN - OPUS4-62035 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schannor, Mathias T1 - LA-MC-ICPMS analysis of Cu isotopes in biological material N2 - Stable metal isotopes receive increasing attention as medical biomarkers due to their potential to detect changes of the metal metabolism related to disease. Potential mechanisms causing isotope fractionation include biological processes that involve redox- or bond-forming reactions and interaction of metals during transmembrane import and export. In order to advance our understanding of the underlying processes responsible for isotope fractionation between normal and diseased cells, we need in situ, spatially resolved methods. Despite its frequent use, laser ablation - multi-collector - inductively coupled plasma mass spectrometry (LA-MC-ICPMS) analysis of biological material is severely limited by the scarcity of matrix-matched standards. Such matrix-matched standards are necessary to correct for instrumental sources of isotope fractionation such as particle size distribution, ablation physics and differential ionization. Copper stable isotopes have proven to be a particularly powerful tool to identify differences in isotope composition between tumors and healthy tissue suggesting application in cancer diagnosis [1, 2]. To further our knowledge of Cu isotope fractionation processes induced by diseases we have developed gelatin-based bracketing standards allowing to correct instrumentally induced isotope fractionation during LA-MC-ICPMS analysis. Since gelatin properties resemble properties of protein-rich cellular material, they mimic biological matrices and their ablation behaviour. Hence, gelatin standards are spiked with known amounts of Cu stable isotopes of a known Cu isotope composition and used as matrix-matched bracketing standard. The method achieved reproducibilities of better than 0.15‰ (2SD) for inorganic reference materials and reproducibilities of better than 0.17‰ (2SD) for biological reference materials. The developed routine was tested on a liver tumor model and in situ Cu isotope compositions between healthy (δ65/63Cu = -1.5 to 0.2 ‰) and tumorous (δ65/63Cu = 0.0 to 1.3 ‰) liver tissue could be distinguished (Figure 1) [3]. T2 - EWCPS 2025 CY - Berlin, Germany DA - 02.03.2025 KW - Laser Ablation KW - Reference Material KW - Biomarker PY - 2025 AN - OPUS4-62882 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schannor, Mathias T1 - LA-MC-ICPMS analysis of Cu isotopes in biological material N2 - Stable metal isotopes receive increasing attention as medical biomarkers due to their potential to detect changes of the metal metabolism related to disease. Potential mechanisms causing isotope fractionation include biological processes that involve redox- or bond-forming reactions and interaction of metals during transmembrane import and export. In order to advance our understanding of the underlying processes responsible for isotope fractionation between normal and diseased cells, we need in situ, spatially resolved methods. Despite its frequent use, laser ablation - multi-collector - inductively coupled plasma mass spectrometry (LA-MC-ICPMS) analysis of biological material is severely limited by the scarcity of matrix-matched standards. Such matrix-matched standards are necessary to correct for instrumental sources of isotope fractionation such as particle size distribution, ablation physics and differential ionization. Copper stable isotopes have proven to be a particularly powerful tool to identify differences in isotope composition between tumors and healthy tissue suggesting application in cancer diagnosis [1, 2]. To further our knowledge of Cu isotope fractionation processes induced by diseases we have developed gelatin-based bracketing standards allowing to correct instrumentally induced isotope fractionation during LA-MC-ICPMS analysis. Since gelatin properties resemble properties of protein-rich cellular material, they mimic biological matrices and their ablation behaviour. Hence, gelatin standards are spiked with known amounts of Cu stable isotopes of a known Cu isotope composition and used as matrix-matched bracketing standard. The method achieved reproducibilities of better than 0.15‰ (2SD) for inorganic reference materials and reproducibilities of better than 0.17‰ (2SD) for biological reference materials. The developed routine was tested on a liver tumor model and in situ Cu isotope compositions between healthy (δ65/63Cu = -1.5 to 0.2 ‰) and tumorous (δ65/63Cu = 0.0 to 1.3 ‰) liver tissue could be distinguished [3]. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Laser Ablation KW - Reference Material KW - Biomarker PY - 2025 AN - OPUS4-62883 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maiwald, Michael A1 - Meyer, Klas T1 - Laboratory accreditation as a reliable indicator of technical competence for testing, calibration and measurement organizations – An introduction to ISO/IEC 17025 using the example of qNMR spectroscopy N2 - ISO/IEC 17025 is the worldwide quality standard for testing and calibration laboratories. It is the basis for accreditation by an accreditation body. The current version was published in 2018. Implementing ISO/IEC 17025 as part of laboratory quality initiatives offers both laboratory and business benefits, such as expanding the potential customer base for testing and/or calibration, increasing the reputation and image of the laboratory at national and international level, continuous improvement of the data quality and the effectiveness of the laboratory or creation of a good basis for most other quality systems in the laboratory sector, such as GxP. The main difference between a proper approach to analysis and a formal accreditation is shown in a targeted documentation, especially on the qualification of the personnel, the test equipment and the validation of the analytical methods. Using quantitative NMR spectroscopy as an example, it is shown how accreditation can be carried out and what documentation is required. In our case, we have described the procedure in an SOP ("Determination of the quantitative composition of simple mixtures of structurally known compounds with 1H-NMR spectroscopy") and supported it with a modular system of organizational and equipment SOPs. The special feature is that the accredited method is independent for the choice of the analyte and the matrix and therefore it is possible to operate with a single validated method. In our case, we have proposed three quality levels ("leagues") with different levels of analytical effort, which differ in their measurement uncertainty, in order to simplify the workflow and analysis design. T2 - 9th Annual Practical Applications of NMR in Industry Conference (PANIC) CY - Online meeting DA - 17.10.2021 KW - Quantitative NMR Spectroscopy KW - qNMR KW - Accreditation KW - ISO 17025 KW - ISO/IEC 17025 KW - PANIC PY - 2021 AN - OPUS4-53564 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rossi, A T1 - Lactose Tablets as Suitable Microplastics Reference Material to Support Validation Studies and Quality Control N2 - One of the main challenges in validating microplastics detection methods is the lack of suitable reference materials that accurately reflect the properties of interest. To bridge this gap, the EU-funded PlasticTrace project has developed water-soluble tablets containing precisely defined amounts of polyethylene terephthalate (PET) particles. Each tablet includes a specific mass (0.2, 18.5, or 400 µg) and particle count (151 or 1764, measured via Raman spectroscopy). Production follows a rigorous solid-phase dilution process, ensuring high reproducibility and quality control. The PET particles used in these tablets have an average size of approximately 40 µm, with a range between 10 and 200 µm, and an irregular, stone-like shape. All measurements align with ISO/TC 147/SC 2 standardization efforts and adhere to ISO/DIS 16094-2 and ISO/DIS 16094-3. To assess tablet homogeneity, the most widely accepted microplastics detection techniques, i.e. µ-FTIR, µ-Raman, Py-GC/MS, and TED-GC/MS, were applied. Different batches were produced, each containing varying particle numbers and masses, reaching the detection limits of the methods used. The results demonstrated excellent consistency between tablets, successfully passing homogeneity tests. Furthermore, no significant changes were observed in the tablets' composition or stability after six months of storage. This innovative reference material represents an important advancement in microplastics analysis, supporting laboratories in meeting EU Commission requirements for the monitoring of microplastics in drinking water and wastewater with greater accuracy and reliability. The production process can be transferred for other plastic particles is this size range. T2 - BERM 16 CY - Halifax, Canada DA - 01.06.2025 KW - Microplastics KW - TED-GC/MS KW - Reference materials KW - Raman microscopy PY - 2025 AN - OPUS4-63403 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 - CONF A1 - Andresen, Elina T1 - Lanthanide-Based Upconverting Nanoparticles: Size, Shape, and Color Tuning for Emerging Applications in Sensing and Encoding N2 - Lanthanide-based nanoparticles like upconversion nanoparticles (UCNP) consist of an inorganic host matrix doped with rare earth ions. These NPs have attracted considerable attention for different areas of application due to their unique spectral shifting potential providing multi-color luminescence in the UV/vis/NIR/SWIR. Important prerequisites for the broad applicability of these nanomaterials are simple and robust synthesis protocols for UCNP with defined morphologies and tunable optical properties, and a sufficient stability under application-relevant conditions. We built up a platform of UCNP based on AYF4 (A=alkali metal) host materials for usage as optical reporters, barcodes, sensors, and tags. This includes the synthesis of UCNPs with i) tunable size (10 – 150 nm), shape (spherical, rod-like, bipyramidal, etc.), and composition (Yb and Er/Tm as dopant ions) and ii) different core-shell architectures for emission color tuning. Therefore, we studied the reproducibility, robustness, and upscalability of the synthesis of β-NaYF4: Yb,Er UCNP via thermal decomposition and the tuning of UCNP size and shape by dopant ion ratios, host material, and reaction conditions and optically explored stability of selected UCNP in different environments under different application-relevant conditions. Subsequently, the applicability of these LnNPs for i) fabrication of security inks for printable QR codes, ii) design of self-referenced nanosensors for (micro)biologically relevant analytes, and iii) as NIR/SWIR luminescent reporters for optical imaging will be discussed. Aiming for core-shell architectures with defined UCL properties, we also assessed X-ray photoelectron spectroscopy depth-profiling methods for determining and quantifying lanthanide activator and sensitizer dopant ions within different types of LnNPs that is of key importance for UCL color and efficiency. A platform of LnNPs based on NaYF4 and LiYF4 hosts with application-specifically tuned size, shape, composition, architecture, optical properties, and surface chemistry was realized. T2 - MAF 2024 CY - Valencia, Spain DA - 08.09.2024 KW - Lanthanide-based upconverting nanoparticles KW - Sensing KW - Encoding PY - 2024 AN - OPUS4-62132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Blaschke, Jil T1 - Laser Induced Breakdown Spectroscopy (LIBS) for the chemical investigation of concrete - Status of practical application and regulations in Germany N2 - Laser-Induced Breakdown Spectroscopy (LIBS) is an advanced, yet still underutilized, analytical technique that has gained increasing recognition for its potential in evaluating cementitious materials. Over the past several years, LIBS has demonstrated exceptional capabilities in providing detailed insights into the microstructural and chemical properties of concrete, with particular relevance to durability studies and service life assessment. One of the defining features of LIBS is its high spatial resolution, which enables precise mapping of ion transport processes within the binder matrix. This ability is critical for understanding concrete behavior under diverse environmental and operational conditions, such as chloride ingress, sulfate attack, or carbonation. By allowing the simultaneous detection of multiple elements, LIBS is uniquely suited for investigating complex interactions, including the co-migration of ions. Such comprehensive analyses yield detailed ion ingress profiles, improving the accuracy of key input parameters used in service life models. As a result, LIBS contributes to more reliable predictions of a structure's remaining lifespan and its susceptibility to environmental degradation. In addition to ion profiling, LIBS is particularly effective in identifying local anomalies that would otherwise not be detected by conventional methods. For instance, LIBS can reveal zones of elevated ion concentration in microcracks or other vulnerable regions, offering critical insights into structural integrity. LIBS supports the assessment of repair processes not only during application but also over long-term monitoring periods, thus contributing to the optimization of rehabilitation strategies. This presentation showcases a series of practical applications of LIBS in the laboratory analysis of building materials, supported by extensive comparative studies. Case studies highlight LIBS's transformative role in repair planning and decision-making, emphasizing its capacity to revolutionize infrastructure monitoring and maintenance. T2 - NDT-CE 2025 CY - Izmir, Türkiye DA - 24.09.2025 KW - LIBS KW - Concrete analysis KW - Ion transport profiling KW - Structural durability assessment PY - 2025 AN - OPUS4-64294 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dalichow, Dirk T1 - Laser Induced Breakdown Spectroscopy (LIBS) for the chemical investigation of concrete- Status of practical application and regulations in Germany N2 - The assessment and maintenance of reinforced concrete structures depends largely on knowledge of the chloride content and chloride ingress. Common methods are the wet chemical analysis of drill dust or powder from ground drill core segments. However, due to the homogenization process, this approach often fails to detect locally elevated chloride levels. A state-of-the-art alternative method is laser-induced breakdown spectroscopy (LIBS), which offers rapid analysis and the possibility of detecting several chemical elements simultaneously. This method is particularly characterized by its ability to measure light elements such as hydrogen, carbon or sodium. The spatial resolution of LIBS is usually 0.25 mm but can be increased to 0.1 mm or less if required. BARG, is the first commercial building materials laboratory in Germany to use LIBS in practice. The current LIBS setup enables rapid, spatial quantification of the chlorine content and at the same time the creation of element maps that visually represent the distribution of essential elements in the concrete. This method can be used to localize areas of elevated chlorine content, particularly in cracks or near reinforcing bars. With the ability to analyze several elements simultaneously, LIBS can determine measurement points associated with the cement phase and, taking into account the water content, relate the measured contents directly to the cement mass. The detailed ingress profiles determined by LIBS provide essential data for the estimation of accurate chlorine diffusion coefficients, which are crucial for probabilistic lifetime predictions. The estimation of the carbon distribution enables the localization of carbonated regions and their effect on the chloride distribution. The possibility of quantitatively determining the sulfur distribution also indicates areas that are affected by a possible sulfate attack. The presentation uses practical examples to demonstrate the possibilities and advantages of the LIBS method. In addition, the newly published leaflet B14 of the German Society for Non-Destructive Testing (DGZfP) will be presented, which describes the use of LIBS for the quantitative determination of chloride content in concrete. T2 - ICCRRR 2024 CY - Cape Town, South Africa DA - 04.11.2024 KW - Concrete KW - Chloride KW - Corrosion KW - Repair KW - Maintenance PY - 2024 AN - OPUS4-62481 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Laser spectroscopy methods for calcium isotope analysis N2 - Calcium isotope analysis can be an important tool for paleoclimate studies of the carbon cycle, as well in carbon capture technology, but its utility is limited by challenges using conventional mass spectrometry. We propose a new fast, precise, and high-throughput technology based on multiple complementary high-resolution spectroscopies analyzed by machine-learning. T2 - Seminars Chemical Physics Caltech CY - Pasadena, CA, USA DA - 13.04.2022 KW - Calcium KW - Atomic spectroscopy KW - CaF KW - Calcium monofluoride KW - Carbon cycle KW - Doppler effect KW - Sub-doppler spectroscopy KW - Laser spectroscopy PY - 2022 AN - OPUS4-56499 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Völker, Tobias T1 - Laser-Induced Breakdown Spectroscopy for Concrete Analysis: Applications and Practical Benefits N2 - Reinforced concrete structures are exposed not only to mechanical loads but also to chemical degradation, which can significantly impact their longevity and performance. Effective assessment and maintenance require a detailed understanding of the ingress of harmful species, such as chlorides or sulfates. Traditional analysis methods, like wet chemical analysis of drill dust or ground core samples, often require homogenization leading to the loss of crucial spatial information in sub-millimeter regions such as localized high concentrations of elements, e.g. in cracks. Laser-induced breakdown spectroscopy (LIBS) offers a cutting-edge solution, providing rapid, multi-element analysis with high spatial resolution from micrometer to millimeter scales. LIBS is capable of detecting both light and heavy elements, making it a powerful tool for detailed concrete analysis. Despite its clear advantages, LIBS is not commonly used in civil engineering. This presentation will showcase practical examples demonstrating the effectiveness and advantages of LIBS in concrete analysis, highlighting real-world applications provided by members of the “LIBS” subcommittee of the technical committee “Civil-Engineering” of the German Society for Non-Destructive Testing (DGZfP). Key examples will be discussed, including measurements from car parks or bridges, alongside an introduction to the newly released DGZfP leaflet B14 providing guidelines for the quantitative determination of chlorine content in concrete by LIBS. Furthermore, prospective applications of LIBS including material identification and classification for concrete recycling, and other emerging uses in civil engineering, will also be presented, showcasing the versatility and future potential of this technology. T2 - Conference on durability of building materials and systems in the transportation infrastructure CY - Mendrisio, Switzerland DA - 22.03.2025 KW - LIBS KW - Spectroscopy KW - Concrete KW - Structural Diagnostics PY - 2025 AN - OPUS4-62822 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Laser-Induced Plasma for Spectroscopy and More N2 - An overview of personal experience with laser-induced plasma (LIP) will be given. The combination of LIP with laser-induced fluorescence, atomic absorption, Raman spectroscopy and spatial heterodyne spectroscopy for elemental and isotopic analysis will be discussed. Unusual applications of LIP will be covered, such as LIP-based lasers and LIP-based chemical reactors. T2 - 2024 Winter Conference on Plasma Spectrochemistry CY - Tucson, Arizona, USA DA - 15.01.2024 KW - Laser induced plasma KW - Laser ablation KW - LIP-LIF KW - LIP-AAS PY - 2024 AN - OPUS4-59431 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Jens T1 - LIBs–trends and developments for recycling applications N2 - Recent years have brought up many challenges for an analytical tracing of material flows. While planetary boundaries force end of life material into circular recycling pathways, geopolitical tension creates demands regarding the origin of raw materials. The analytical demands on any instrumentation to tackle the arising challenges of this scenario are straight forward: No sample preparation, precision in the percentage region, and high throughput at comparably low cost. All these demands make LIBS a perfect candidate, why it is time for a re-evaluation of how it exploits the potential possibilities arising from todays’ technology. While being a relatively young technique, the vast majority of conducted LIBS experiments still relies on well established instrumentation, sometimes ignoring the innovations and breakthroughs in the development of its empowering technology sectors such as battery powered compact high repetition rate lasers with tuneable pulse rate and length, low priced cameras with millions of small sized pixels and extremely fast shutter and readout times, optical modulators, galvonometer scanners, and simple robotics. In this talk we will showcase some examples on how the implantation of all these new tools can lead to extremely affordable and compact instrumentation with unprecedented acquisition speed and a spectral resolution sufficient to resolve atomic isotope lines. T2 - Institute Seminar CY - Rostock, Germany DA - 09.01.2024 KW - LIBS KW - Sorting KW - Automatisation PY - 2024 AN - OPUS4-62136 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abad Andrade, Carlos Enrique T1 - Lithium isotope fractionation as a diagnostic tool for aging lithium-ion batteries N2 - Lithium-ion batteries (LIBs) are central to modern energy storage technologies, powering applications from portable electronics to electric vehicles and grid storage systems. Their popularity comes from their high energy density, efficiency, and extended cycle life. However, over time, various aging mechanisms lead to capacity loss, increased internal resistance, and, ultimately, battery failure. Understanding and predicting these aging processes is crucial for enhancing the reliability and longevity of LIBs. This necessity makes the development of advanced diagnostic tools essential. This study uses plasma-based spectrometry techniques to explore lithium isotope fractionation (LIF) as a predictive tool for monitoring LIB aging and degradation. Mass spectrometric techniques —including MC-ICP-MS, LA-ICP-MS, and MICAP-MS— were employed to analyze lithium isotopic composition in both new and aged lithium cobalt oxide (LCO) cells, including lab-made coin cells and commercial batteries. An isotopic fractionation was identified during electrochemical cycling: 6Li migrates towards the anode, while 7Li accumulates in the cathode. These isotopic patterns correlate with structural degradation, including solid electrolyte interphase (SEI) growth and crack formation, as confirmed by FIB-SEM, XANES, and EXAFS analyses. This correlation demonstrates that LIF aligns with key aging mechanisms in model coin cells and commercial batteries, such as capacity fade and impedance growth. LIF provides a powerful diagnostic tool for battery health monitoring and aging prediction by linking isotopic fractionation to structural degradation. This approach offers significant potential to extend battery lifespan and improve the reliability of energy storage systems. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Isotope KW - Lithium KW - Battery aging KW - Degradation KW - Fractionation KW - Battery PY - 2025 AN - OPUS4-63487 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scholtz, Lena T1 - Luminescent, Semiconductor Nanoparticle-Loadedpolymer Microbeads–Comparingparticlearchitectures N2 - Luminescent polymer microparticles (PMPs) are applied in various (bio)analytical and diagnostic processes.[1] The staining of these beads is important for the realization of optically distinguishable barcodes that can be read out, e.g., by a flow cytometer or fluorescence microscope. Typically, luminescent semiconductor nanoparticles (NPs) absorb in a broad wavelength range and show narrow emission bands, which enables simultaneous excitation of differently colored luminophores and facilitates a spectral discrimination.[1] This makes them ideal candidates for this purpose and encouraged us to explore and develop a simple, effective approach to luminescent semiconductor NP encoding of polystyrene PMPs and identify suitable synthesis conditions.[2] Until now, mainly semiconductor quantum dots (QDs) have been used for the synthesis of luminescent PMPs, although NPs with different shapes could introduce beneficial new features. Aiming for the application of our developed procedure to non-spherical NPs, we systematically investigated the luminescence properties of the resulting NP-stained beads using fluorescence and integrating sphere spectroscopy as well as fluorescence and electron microscopy. These studies showed that the suitability of semiconductor NPs for the synthesis of luminescent PMPs depends not only on their shape, but also heavily on their surface chemistry.[3] The successful incorporation of nonspherical NPs opens the path to include even more NPs, and the results can help to deduce future applications for the beads which best suit their specific properties. T2 - E-MRS Fall Meeting 2025 CY - Warsaw, Poland DA - 15.09.2025 KW - Quality assurance KW - Fluorescence KW - Nano KW - Particle KW - Synthesis KW - Quantum dot KW - Quantum rod KW - Platelet KW - Quantum yield KW - Polymer particle KW - Encoding KW - Surface chemistry KW - Mechanism KW - Characterization KW - Lifetime KW - Barcode KW - Polymerization KW - Method PY - 2025 AN - OPUS4-64242 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dalgic, Mete-Sungur T1 - Lösemittelfreie Probenpräparation zur Untersuchung von Polymerblends mittels MALDI-TOF MS N2 - Die Probenpräparation ist ein wichtiger Schritt für die Qualität der Massenspektren in MALDI-TOF MS. Es werden Polymerproben, die lösungsmittelbasiert und lösungsmittelfrei präpariert worden sind, verglichen. Dabei werden die Intensitätsverhältnisse von ternären Mischungen von PEG-, PS- und PMMA-Polymeren beachtet. T2 - 28. Kolloquium - Massenspektrometrische Techniken zur Untersuchung synthetischer Polymere CY - Berlin, Germany DA - 14.05.2024 KW - Polymere KW - Massenspektrometrie KW - Probenpräparation PY - 2024 AN - OPUS4-60032 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Machine learning - Examples from BAM Line N2 - This talk explores applications of artificial intelligence in the field of spectroscopy, with a special focus on research conducted at BAMline. We begin with an overview of synchrotron radiation and its unique capabilities in material analysis. The first part of the talk will cover the integration of AI algorithms in quantifying X-ray fluorescence measurements, providing enhanced precision and efficiency in data analysis. Following this, we will examine the role of language models in spectroscopic research, showcasing how these tools can facilitate the control of complex experimental set-ups T2 - Analytical Academy CY - Berlin, Germany DA - 12.11.2024 KW - ChatGPT KW - Neural networks KW - XRF KW - Synchrotron KW - BAMline PY - 2024 AN - OPUS4-61698 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Machine learning for direct quantification of XRF measurements N2 - In this talk I’ll describe the use of artificial neural networks (ANN) for quantifying X-ray fluorescence (XRF) measurements. The main idea of this talk is to give an overview of the process needed to generate a model that can then be applied to a specific problem. In XRF, a sample is excited with X-rays and the resulting characteristic radiation is detected to determine elements quantitatively and qualitatively. This is traditionally done in several time-consuming steps. I’ll show the possibilities and problems of using a neural network to realise a "one-click" quantification. This includes generating training data using Monte Carlo simulation and augmenting the existing data set with an ANN to generate more data. The search for the optimal hyperparameters, manually and automatically, is also described. For the case presented, we were able to train a network with a mean absolute error of 0.1% by weight for the synthetic data and 0.7% by weight for a set of experimental data obtained with certified reference materials. T2 - Seminar series: Artificial Intelligence applied to X-ray / synchrotron techniques CY - Online meeting DA - 24.06.2021 KW - Artificial intelligence KW - Machine learning KW - Synchrotron KW - XRF PY - 2021 AN - OPUS4-54140 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radtke, Martin T1 - Machine learning: examples from BAMline N2 - Various applications for artificial intelligence in the context of spectroscopy will be presented. in particular, examples from BAMline will be presented. After a short introduction to synchrotron radiation, artificial intelligence algorithms for the quantification of X-ray fluorescence measurement are discussed. In the second example, information retrieval by natural language processing is discussed. T2 - Analytical Academy CY - Online meeting DA - 02.06.2020 KW - Machine learning KW - BAMline KW - XRF KW - Synchrotron PY - 2020 AN - OPUS4-51898 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weidner, Steffen T1 - MALDI Mass spectrometry of synthetic polymers – making molecular elephants to fly N2 - The importance of MALDI TOF mass spectrometry for the analysis of synthetic polymers is shown and some specific issues influencing the analysis e.g. polymer mass dispersity, matrix and matrix homogeneity, nature of cations and end groups, sequence distribution are discussed by means of examples. T2 - Merck Polymer Seminar CY - Online meeting DA - 29.04.2021 KW - MALDI-ToF MS KW - Ionization KW - Desorption KW - Polymers PY - 2021 AN - OPUS4-52545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rabin, Ira T1 - Material analysis - results N2 - The presentations describes the results obtained by material analysis of the writing materials. Their relevance in the field of digital editing and publishing is discussed. T2 - Communicating Revealed Texts: Best Practices for Born-Digital Editions Using Enhanced Imaging CY - Iowa City, IA, USA DA - 29.06.2024 KW - Writing materials KW - Manuscripts KW - Material analysis PY - 2024 AN - OPUS4-61202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rabin, Ira T1 - Material analysis of afghanistan liturgical quire (ALQ) conducted at the BAM N2 - The lecture presents the results of the detailed material analysis of the inks and of the parchment of the Afghanistan Liturgical Quire (ALQ), conducted at the Bundesanstalt für Materialforschung und -Prüfung (BAM) in Berlin. Testing was conducted using the following techniques: 3-color photography, 3D-digital microscopy, scanning μ-X-ray fluorescence analysis (XRF), μ- Raman and FTIR spectroscopy. I will give a short explanation of the principles of the techniques and explain the choice of the instruments. The main task of our work at the BAM required characterization of the inks and comparison of the ink as well as the composition of parchment. For the ink characterization we have followed the protocol developed at the BAM. The standard protocol includes three non-invasive stages: a) near infrared photography (NIRR) to determine the ink type or its main component; b) X-ray fluorescence analysis (XRF) to determine a fingerprint for iron-gall inks or contaminants in carbon/plant inks; c) Raman spectroscopy if there is an indication that the inks are of a mixed type. For parchment characterization, we usually employ µ-XRF-mapping and FTIR to gain information on specific treatments experienced by the parchment during its preparation and history. T2 - 19th World Congress of Jewish Studies CY - Jerusalem, Israel DA - 04.08.2025 KW - Hebrew Manuscripts KW - Parchment KW - Ink KW - XRF KW - NIR PY - 2025 AN - OPUS4-64776 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Tiebe, Carlo A1 - Zunkel, Astrid A1 - Klein, Ulrich A1 - Schlischka, Jörg A1 - Klinger, Christian T1 - Materialuntersuchungen zur Schadensanalyse an einem explodierten Umlaufkühler N2 - Ein Durchlaufkühler ist im Betrieb explodiert. Die zerborstenen Gehäuseteile aus Kunststoff führten zu einem Austreten der Kühlflüssigkeit am Betriebsort sowie zu einem Personenschaden mit Knalltrauma. Bei Funktionsprüfungen am beschädigten Gerät traten unerwartet, aber reproduzierbar Knalleffekte auf der Kupfer-Kühlschlange auf. Ein möglicher Mechanismus konnte im Labor durch Synthese von Kupferazid auf Kupferproben und Auslösung vergleichbarer Knalleffekte nachgestellt werden. Damit ist die Plausibilität des beschriebenen Schadensereignisses mit diesem oder einem ähnlich reagierenden Stoff belegt. Ein eindeutiger Nachweis darüber, dass beim aufgetretenen Schadensfall dieselbe chemische Reaktion stattgefunden hat ist nicht möglich, da die Belag-Überreste aus dem explodierten Kühlgerät für eine Analyse nicht mehr in ausreichender Menge verfügbar waren. T2 - Erfahrungsaustausch für Sachverständige in der Anlagenüberwachung der Industrie (ESA 2021) CY - Online meeting DA - 20.04.2021 KW - Umlaufkühler KW - Schadensanalyse KW - Materialuntersuchungen KW - Gutachten KW - Kupferazid PY - 2021 AN - OPUS4-52484 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -