TY - CONF A1 - Ecke, Alexander T1 - The Fate of the Antibiotic Amoxicillin in the Aquatic Environment N2 - Contamination of the environment with antibiotics is of great concern as it promotes the evolution of antimicrobial resistances. In case of amoxicillin (AMX) in the aquatic environment, further risk arises from hydrolysis products (HPs) which can cause allergy. To assess these risks, a comprehensive investigation and understanding of the degradation of AMX is necessary. We investigated the hydrolysis rate of AMX in different types of water as well as the influence of temperature and irradiation. The content of the heavy metal ions copper and zinc was found to be crucial for the hydrolysis rate of AMX and stability of HPs. Eventually, a new degradation pathway for AMX could be elaborated and confirmed by tandem mass spectrometry (LC-MS/MS). T2 - Berliner Chemie in Praxis Symposium CY - Berlin, Germany DA - 07.10.2022 KW - Hydrolysis KW - Amoxicillin KW - LC-MS/MS KW - ICP-MS PY - 2022 AN - OPUS4-56026 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Konthur, Zoltán T1 - Deutschlandweite Bestimmung anthropogener Marker im Abwasser N2 - Die von der Europäischen Kommission im Jahr 2021 empfohlene, systematische Abwasserüberwachung mittels PCR-Techniken wird als ein wirksames Früh-warnsystem für künftige Pandemien durch Viren und andere Krankheitserreger betrachtet. Ein generelles Problem bei jeder quantitativen Messung von Parametern im Abwasser ist die starke Schwankung des Abwasservolumens und seiner Zusammensetzung im Tages- und Jahreszeitenverlauf. Um die Konzentrationsbestimmungen von Krankheitserregern im Abwasser in Korrelation mit menschlichen Einträgen setzen zu können, könnten sog. "anthropogene Marker" eine herausragende Rolle spielen, deren Eintrag ins Abwasser menschlichen Ursprungs sind. Im Projekt werden mittels ELISA die Konzentrationen ausgewählter anthropogener Marker in deutschlandweit gesammelten Abwasserproben erhoben und analysiert. T2 - Spurenstoffe und Krankheitserreger im Wasserkreislauf CY - Frankfurt/Main, Germany DA - 27.03.2023 KW - Carbamazepin KW - Koffein KW - Diclofenac KW - Isolithocholsäure PY - 2023 AN - OPUS4-57718 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian T1 - Development of multi-layer SPE approaches for PFAS determination in surface water samples utilizing HR-CS-GFMAS N2 - Per- and polyfluoroalkyl substances (PFAS) have received global public attention because of their wide distribution in aquatic environments and potential adverse effects to humans and wildlife. Due to the lack of analytical standards and the enormous numbers of these compounds, current target-based methods (e.g., LC-MS/MS) are not suitable for the analysis of new/unknown PFAS and transformation products. Therefore, PFAS sum parameter analysis is becoming increasingly important. For PFAS determination of surface waters, solid phase extraction (SPE) is commonly implemented for clean-up and pre-concentration of samples. Thus, within this work, single-layer SPE methods (based on Strata™-X, Strata™-X-AW, Strata™-NH2 and Oasis-HLB) were investigated for maximum PFAS coverage utilizing extractable organically bound fluorine (EOF) analysis. Thereby, the optimization procedure relied on the analysis of 3 surface water samples in Berlin, Germany, which were affected by the effluent discharge of wastewater treatment plants. To analyse the SPE elution profiles for EOF and inorganic fluorine, high resolution-continuum source-graphite furnace molecular absorption spectroscopy (HR-CS-GFMAS) and ion chromatography (IC) were used, respectively. Highest EOF concentrations were achieved by using Strata-X/Strata-XAW as SPE sorbents and methanol as eluent. Furthermore, combinations of the most promising SPE sorbents were selected (X/XAW, XAW/X, HLB/X and WAX/GCB) to extract a wider range of PFASs. By comparing multi-layer SPE methods, lower EOF concentrations were obtained for all investigated combination phases compared to the analysed single phases. For the commercially available combination phase Strata-PFAS (WAX/GCB) for all three river water samples, lower EOF concentrations (1.5 times lower) were determined compared to Strata-X. The results have shown that single-layer SPE systems are currently superior compared to combination phases for PFAS sum parameter analysis. The multi-layer SPE methods need further optimization regarding appropriate sorbent combinations, loading volumes and elution conditions. The developed single-layer SPE methods can help to elucidate pollutions hotspots and discharge routes. T2 - Analytica Conference 2024 CY - Munich, Germany DA - 09.04.2024 KW - PFAS KW - HR-CS-GFMAS KW - Fluorine KW - SPE PY - 2024 AN - OPUS4-59890 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Frenzel, Olivia T1 - Identification of Metabolites and Transformation Products of Bisphenols N2 - Bisphenol A (BPA) is widely used in Polycarbonate (PC), Polyacrylic resins (PAR), Polysulfones (PSU), Epoxy resins (ER), and Polyetherimides (PEI). It is also used in recycled Polyvinyl chloride (PVC) [1–3]. These BPA-containing materials have a wide area of application, especially outside. All outdoor applications are exposed to a variety of environmental impacts, like temperature, solar radiation (physical influences), chemical influences (rain or ozone), biological influences (microorganisms), and mechanical influences (hail, sand). These impacts are damaging and aging the material which can be followed by leaching or migration of pollutants like Bisphenol A into the environment. Understanding the fate and behavior of the released pollutants is very important. Therefore, different transformation products of selected Bisphenols will be generated and analyzed. T2 - 33rd International Symposium on Chromatography – ISC 2022 CY - Budapest, Hungary DA - 18.09.2022 KW - Environment KW - Transformation products KW - Bisphenols KW - Metabolites KW - Wastewater PY - 2022 AN - OPUS4-56202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scharek, Vera T1 - Screening for tin-based environmental Pollutants in Sediment via ETV/ICP-MS N2 - Shipping plays a significant role in the global trade. However, it is negatively impacted by the unwanted accumulation of marine organisms on the ship hulls. Antifoulant paints containing the organometallic compound tributyltin (TBT) have been used to prevent the so-called fouling on ship hulls since the 1960s. Compared to the generally considered non-toxic inorganic tin, the endocrine disruptor TBT affects the biological fitness of non-target organisms. The most prominent effects are imposex in snails and shell deformation in oysters. This resulted in a global ban by the International Maritime Organization in 2008, but recent studies have found alarmingly high concentrations in sediment. Once TBT is released from the ship hull, it gets effectively absorbed into the sediment. Under anaerobic conditions and the absence of light, the half-life is extended up to several decades. The resuspension and transport of sediment remobilizes tin organic compounds (OTCs), making them bioavailable even in distant regions. To conduct a comprehensive risk assessment, it is necessary to monitor OTCs in sediment. Conventionally, species-specific analysis of OTCs involves (gas-)chromatographic separation after extraction and pre-concentration of the analytes. However, the sample preparation is time-consuming, chemical-intensive, and prone to species-transformation, respectively incomplete extraction. In this context, electrothermal vaporization coupled with inductively coupled plasma-mass spectrometry (ETV/ICP-MS) shows potential as a fast and automatable screening tool for OTCs in environmental samples. In this study, an ETV/ICP-MS method for the speciation analysis of OTC in environmental samples has been developed. The method was validated by spiking experiments using an OTC-containing, respectively OTC-free certified reference material. With a single ETV temperature program, the full separation of OTCs, inorganic tin, and potentially interfering major matrix components were achieved in three different sediment matrices. Co-vaporization of the individual OTC species could be observed. However, when used as a screening tool for environmental monitoring sum parameter analysis of OTC is beneficial. In conclusion, ETV/ICP-MS, is a fast and convenient tool for monitoring metal-based pollutants at ppb level in the environment. T2 - Analytica conference 2024 CY - Munich, Germany DA - 09.04.2024 KW - Organotin compounds KW - Sediment KW - Electrothermal Vaporization KW - Inductively coupled plasma-mass spectrometry PY - 2024 AN - OPUS4-61622 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zuliani, T. T1 - Advancing Stable and Long-lived Radiogenic Isotope Ratio Measurements of Environmental Pollutants N2 - The isotopic compositions of elements vary in the environment due to processes such as radioactive decay, cosmic ray spallation, mass-dependent and mass-independent fractionation, and different anthropogenic sources such as industrial activities, nuclear weapon testing, nuclear accidents, as well as natural phenomena long-range atmospheric and water transport, climate change, etc. Isotope ratio data obtained by mass spectrometry now plays an important role as tracers of a multitude of processes in Earth and environmental sciences. Inductively coupled plasma mass spectrometry (ICP-MS) is a widely used technique for detecting variations in isotopic abundances in e.g., environmental samples. Recent advancements in mass spectrometric instrumentation have significantly enhanced sensitivity and precision, enabling the reliable detection of even minute variations in the isotopic composition of most elements with more than one natural isotope. However, to fully realize these new capabilities, a significant analytical challenge remains due to a vast number of analyte/matrix combinations, concomitant matrix effects, spectral interferences, and instrumental isotopic fractionation that must be characterized before and during the measurements. Success in developing new and improved methods for stable and long-lived radiogenic isotope ratio measurements by mass spectrometric methods depends on improvements in the reduction and quantification of uncertainties associated with sample preparation, instrumentation, and external calibration. The goal of this presentation is to show the key findings of the European Partnership on Metrology project “Metrology for the harmonisation of measurements of environmental pollutants in Europe” - MetroPOEM (https://www.npl.co.uk/euramet/metropoem), with a focus on the ICP-MS techniques used for isotope ratio measurements. Several elements were used as model systems for the development and optimisation of sample preparation and measurement procedures, including Li, B, Cr, Cd, Ni, Sb, Pb, and U. Isotope ratios of these elements determined by multi-collector ICP-MS, sector field ICPMS, quadrupole ICP-MS, and ICP-MS/MS will be assessed and compared. Data on their performance will be presented and assessed in terms of accuracy and precision. Comprehensive uncertainty budgets for the determination of the isotope ratios of the selected elements by different calibration approaches will be presented. The presented results will highlight the potential of recent advances in ICP-MS technology. T2 - 11th Nordic Conference on Plasma Spectrochemistry CY - Loen, Norway DA - 09.06.2024 KW - Isotope analysis KW - ICP-MS KW - Measurement uncertainty PY - 2024 AN - OPUS4-61599 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian T1 - Structural Investigations of Transformation Products of the Anticoagulant Drug and Rodenticide Warfarin N2 - Warfarin (Coumadin) is one of the most popular anticoagulant drugs used as a therapeutic in humans to prevent thrombosis, atrial fibrosis, and fibrillation since the 1950s. Because of its ability to hinder blood coagulation by blocking vitamin K-depending carboxylation of blood clotting precursors, it is also used as a rodenticide worldwide. Until today it has been partially substituted by far more potent anticoagulant rodenticides (ARs), so-called superwarfarins. Numerous studies are confirming secondary and tertiary poisoning with ARs in non-target-animals and wildlife. Up to now, relatively little is known about persistence and toxicity of ARs and naturally, nor technically formed transformation products (TPs) in the environment, food chain, and transformations occurring during wastewater treatment. Herein, we present liquid and gas chromatographic methods coupled to (high-resolution) mass spectrometry for the analysis of warfarin’s transformation products. Methodologies such as UV-irradiation, ozonation, and chlorination were utilised to simulate technical water treatment. Resulting compounds were elucidated and examined by numerous analytical methods. Moreover, the oxidative phase I metabolism was mimicked by an electrochemical flow cell to synthesise and confirm major metabolites. The further aim is the toxicological assessment of all substances formed, as well as, the quantification of warfarin and its TPs under environmentally relevant conditions employing the introduced methods. T2 - SETAC 2024 CY - Sevilla, Spain DA - 05.06.2024 KW - Warfarin PY - 2024 AN - OPUS4-61898 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scharek, Vera T1 - Screening for tin-based environmental pollutants in sediment via ETV/ICP-MS N2 - Electrothermal vaporization coupled with inductively coupled plasma-mass spectrometry (ETV/ICP-MS) shows potential as a fast and convenient screening tool for the monitoring of emerging metal-based pollutants in environmental samples. Organo tin compounds (OTCs) have been widely applied as biocidal ingredients in ship paints in the last century, but are still present in the environment. Conventionally, the analysis of OTCs in sediment samples involves (gas-) chromatographic separation after extraction and pre-concentration of the analytes. With ETV/ICP-MS, it is possible to skip time-consuming and chemical-intensive sample preparation steps, which are prone to errors. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - Organotin compounds KW - Sediment KW - Electrothermal Vaporization KW - Inductively coupled plasma-mass spectrometry PY - 2025 AN - OPUS4-62830 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scharek, Vera T1 - Screening for tin-based environmental pollutants in sediment via ETV/ICP-MS N2 - Electrothermal vaporization coupled with inductively coupled plasma-mass spectrometry (ETV/ICP-MS) shows potential as a fast and convenient screening tool for the monitoring of emerging metal-based pollutants in environmental samples. Organo tin compounds (OTCs) have been widely applied as biocidal ingredients in ship paints in the last century, but are still present in the environment. Conventionally, the analysis of OTCs in sediment samples involves (gas-) chromatographic separation after extraction and pre-concentration of the analytes. With ETV/ICP-MS, it is possible to skip time-consuming and chemical-intensive sample preparation steps, which are prone to errors. T2 - European Winter Conference on Plasma Spectroscopy CY - Berlin, Germany DA - 02.03.2025 KW - Organotin compounds KW - Sediment KW - Electrothermal Vaporization KW - Inductively coupled plasma-mass spectrometry PY - 2025 AN - OPUS4-62831 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gläser, Peter T1 - Investigations on the Thermochemical Degradation of PFAS in Flue Gas from Laboratory and Pilot Plant Facilities N2 - Per- and polyfluoroalkyl substances – abbreviated as PFAS - are compounds that enter the environment through industrial material cycles. Their chemically stable carbon-fluorine bonds provide valuable technical properties for industrial applications, but also render them resistant and environmentally persistent. Consequently, PFAS accumulate in various biological systems and organisms, and can now be detected in numerous samples, including drinking water, human blood, and soil. This accumulation is concerning due to the documented harmful and/or carcinogenic properties of many PFAS compounds [1,2]. For this reason, it is important to understand the pathways of these compounds from industrial processes into the environment. Combustion processes, such as those in waste incineration, are of particular interest to ensure that no PFAS are released into the environment. In this project, various combustion processes at laboratory and pilot plant scales will be examined to determine the optimal parameters for the reduction of PFAS in different materials. Depending on the definition applied, the range of PFAS spans from ~4,700 to ~14,000 individual compounds, which can vary significantly in their chemical properties. This, combined with a variety of complex matrices, makes PFAS analysis particularly challenging [1,2]. Due to the complexity of PFAS, the analysis of fluorine sum parameters has become established in recent years. The application of High Resolution Continuum Source Graphite Furnace Molecular Absorption Spectroscopy (HR-CS-GFMAS) has seen increased usage [3]. However, such a methodology has not yet been established for gas analysis. Although OTM 45 was published in 2021, allowing the quantification of 50 individual PFAS, it is unclear whether this is representative of the entire class of substances [4]. Therefore, the aim of this project is to improve the analysis of PFAS in flue gas from laboratory and pilot plant facilities, thereby contributing to the understanding of their thermochemical degradation and the optimization of combustion parameters. In initial experiments, a suitable sampling apparatus consisting of impigners, a coil condenser, and gas washing bottles was tested and optimized. Cuttings, partially spiked with PFOA, and sewage sludge served as reference materials. For the measurement of sum parameters, an HR-CS-GFMAS method was developed and validated. T2 - ANAKON 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - PFAS KW - Flue Gas KW - HR-CS-GFMAS KW - Waste Incineration PY - 2025 AN - OPUS4-62898 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -