TY - JOUR A1 - Kang, Y. A1 - Nack, L. M. A1 - Liu, Y. A1 - Qi, B. A1 - Huang, Y. A1 - Liu, Z. A1 - Chakraborty, I. A1 - Schulz, F. A1 - Ahmed, A. A. A. A1 - Poveda, M. C. A1 - Hafizi, F. A1 - Roy, S. A1 - Mutas, M. A1 - Holzapfel, M. A1 - Sanchez-Cano, C. A1 - Wegner, Karl David A1 - Feliu, N. A1 - Parak, W. J. T1 - Quantitative considerations about the size dependence of cellular entry and excretion of colloidal nanoparticles for different cell types N2 - Most studies about the interaction of nanoparticles (NPs) with cells have focused on how the physicochemical properties of NPs will influence their uptake by cells. However, much less is known about their potential excretion from cells. However, to control and manipulate the number of NPs in a cell, both cellular uptake and excretion must be studied quantitatively. Monitoring the intracellular and extracellular amount of NPs over time (after residual noninternalized NPs have been removed) enables one to disentangle the influences of cell proliferation and exocytosis, the major pathways for the reduction of NPs per cell. Proliferation depends on the type of cells, while exocytosis depends in addition on properties of the NPs, such as their size. Examples are given herein on the role of these two different processes for different cells and NPs. KW - Cell proliferation KW - Exocytosis KW - Gold nanoparticles KW - Quantum dots KW - Fluorescence KW - Uptake studies PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-543476 DO - https://doi.org/10.1007/s40828-021-00159-6 SN - 2199-3793 VL - 8 IS - 1 SP - 1 EP - 8 PB - Springer CY - Berlin AN - OPUS4-54347 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jegel, O. A1 - Pfitzner, F. A1 - Gazanis, A. A1 - Oberländer, J. A1 - Pütz, E. A1 - Lange, M. A1 - von der Au, Marcus A1 - Meermann, Björn A1 - Mailänder, V. A1 - Klasen, A. A1 - Heermann, R. A1 - Tremel, W. T1 - Transparent polycarbonate coated with CeO2 nanozymes repel Pseudomonas aeruginosa PA14 biofilms N2 - Highly transparent CeO2/polycarbonate surfaces were fabricated that prevent adhesion, proliferation, and the spread of bacteria. CeO2 nanoparticles with diameters of 10–15 nm and lengths of 100–200 nm for this application were prepared by oxidizing aqueous dispersions of Ce(OH)3 with H2O2 in the presence of nitrilotriacetic acid (NTA) as the capping agent. The surface-functionalized water-dispersible CeO2 nanorods showed high catalytic activity in the halogenation reactions, which makes them highly efficient functional mimics of haloperoxidases. These enzymes are used in nature to prevent the formation of biofilms through the halogenation of signaling compounds that interfere with bacterial cell–cell communication (“quorum sensing”). Bacteria-repellent CeO2/polycarbonate plates were prepared by dip-coating plasma-treated polycarbonate plates in aqueous CeO2 particle dispersions. The quasi-enzymatic activity of the CeO2 coating was demonstrated using phenol red enzyme assays. The monolayer coating of CeO2 nanorods (1.6 µg cm−2) and the bacteria repellent properties were demonstrated by atomic force microscopy, biofilm assays, and fluorescence measurements. The engineered polymer surfaces have the ability to repel biofilms as green antimicrobials on plastics, where H2O2 is present in humid environments such as automotive parts, greenhouses, or plastic containers for rainwater. KW - CeO2 KW - Nanorods KW - Nanomaterial PY - 2022 DO - https://doi.org/10.1039/D1NR03320D VL - 14 IS - 1 SP - 86 EP - 98 PB - Royal Society of Chemistry AN - OPUS4-55271 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - 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 - Klein, Luise A1 - Wilke, Olaf T1 - Chamber comparison for the determination of initial VOC emissions from consumer products N2 - Volatile organic compound (VOC) emissions from consumer products contribute to human inhalation exposure and may cause adverse health effects. Existing methods to determine long-term VOC emissions from e.g. building products need to be verified for their suitability to reliably detect initial VOC emissions from consumer products within the first hours and days of use, which would facilitate realistic inhalation exposure assessments. To investigate this issue, VOCs emitted from a test sample were determined in a large-scale emission test chamber and in two micro-chambers of different volumes, and the results were compared. T2 - Healthy Buildings 2023 Europe CY - Aachen, Germany DA - 11.06.2023 KW - Micro-chamber KW - Emission test chamber KW - Volatile organic compounds KW - Inhalation exposure KW - Consumer products PY - 2023 SP - 6 EP - 8 AN - OPUS4-58055 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 - Kaplan, Cafer-Can T1 - Evaluation of novel adsorber materials for environmentally relevant perfluorinated compounds N2 - PFAS (Per- and polyfluoroalkyl substances) are a widespread and emerging environmental problem due to their longevity and ubiquitous spread. The common structural motif of this compound class is the fluorine – carbon bond on an alkyl backbone, which are known for their chemical inertness and combination of hydrophobicity and oleophobicity. The downside of those properties is the general lack of usable molecular interactions for adsorption to extract them from the environment. The notable exception to that inertness are fluorine – fluorine interactions, which are stronger, the longer the perfluorinated chain length is. Therefore, in this project we investigated the effect of fluorination, length and presence of a charge on the alkyl chain on an adsorber. Towards that goal, in total 16 different adsorber materials were synthesized (fluorinated/non-fluorinated; C4/ C6/ C8/ C10 ; positive charge/no charge) and tested in regard to their potential to adsorb PFOA and perfluoralkylic acids of differing chain lengths. The PFAS concentration was tested via LC-MS/MS to determine the adsorption rate on the various materials. Further work includes the transition from a target analytics to sum parameter analysis for future evaluation of adsorber materials in PFAS environmental samples like river samples. Therefore a quarterly sampling and extraction of spree surface water samples was planned. T2 - SFB 1349 Winter School 2024 CY - Międzyzdroje, Poland DA - 10.04.2024 KW - PFAS KW - Adsorber KW - Fluoruos Systems PY - 2024 AN - OPUS4-59892 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scharek, Vera T1 - Speciation analysis of environmental samples via ETV/ICP-MS N2 - Organotin compounds (OTCs) have been widely used in anti-fouling paints, pesticide formulations, and as stabilizers in polyvinyl chloride over the past century. In marine ecosystems, OTCs can cause severe damage to biodiversity, leading up to the extinction of vulnerable species. Due to the extensive use of tributyltin (TBT) as a biocide on ship hulls, it has been considered one of the most hazardous substances intentionally introduced into the aquatic environment. This resulted in a global ban on TBT-containing products in the 2000s. However, recent studies indicate the emerging presence of organotin pollutants. OTCs are known to persist and accumulate in marine sediments, posing a long-term threat to the environment. These harmful substances can be set free and dispersed even after several decades. Therefore, analyzing sediment probes is imperative for a thorough monitoring of pollution. However, species-specific analysis of OTCs at required concentration levels in complex environmental matrices remains challenging. Chromatographic systems are commonly used for their analysis, but the required sample preparation is time-consuming and prone to contamination and analyte loss. The coupling of electrothermal vaporization and inductively coupled plasma-mass spectrometry (ETV/ICP-MS) demonstrates high potential as a rapid, convenient, and chemical-saving scanning tool for environmental samples. This method enables the direct on-line fractionation of organic compounds from an inorganic fraction and provides element-specific detection at ultra-trace levels without complex sample preparation. Since OTCs are generally more toxic than ionic or elemental tin, analyzing them as a sum parameter is advantageous. Additionally, the determination of both organic and inorganic tin, rather than just organic tin, reveals valuable information about the fate of OTCs. The main challenge in obtaining accurate quantitative data using direct solid sampling techniques like as ETV/ICP-MS is applying a suitable calibration strategy. Our isotope dilution approach overcomes matrix effects in ETV/ICP-MS analysis and is compatible with commercial systems. T2 - Winter Conference on Plasma Spectrochemistry CY - Tucson, AZ, USA DA - 15.01.2024 KW - Organotin compounds KW - Sediment KW - Electrothermal Vaporization KW - Inductively coupled plasma-mass spectrometry PY - 2024 AN - OPUS4-59895 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - von Törne, Wipert Jannik A1 - Steinhäuser, Lorin A1 - Klyk-Seitz, Urszula-Anna A1 - Piechotta, Christian T1 - High-resolution mass spectrometric elucidation of electron ionization induced fragmentation pathways of methylated warfarin and selected hydroxylated species N2 - The plant secondary metabolite families of coumarin and 4-hydroxy coumarin have a broad pharmacological spectrum ranging from antibacterial to anticancer properties. One prominent member of this substance class is the synthetic but naturally inspired anticoagulant drug and rodenticide warfarin (coumadin). A vast number of publications focus on the identification of warfarin and its major cytochrome P450-mediated phase I metabolites by liquid chromatography (LC) with mass spectrometry (MS) and tandem mass spectrometric (MS/MS) detection techniques. For the first time, electron ionization (EI) induced high-resolution quadrupole time-of-flight mass spectrometric (HR-qToF-MS) data of in-liner derivatized warfarin and selected hydroxylated species is provided in this study as an alternative to LC-MS/MS approaches. Furthermore, the characteristic fragments and fragmentation pathways of the analyzed methyl ethers are concluded. The obtained data of analytical standards, specific deuterated and 13C-labeled compounds prove inductive cleavage of the acyl or acetonyl side chain, methyl migration, and H-migration, along with consequential inductive cleavage as predominant fragmentation routes. Based on the HR-spectral data, commonalities and differences between the analyzed compounds and fragment groups were evaluated with future applicability in structure elucidation and spectra prediction of related compounds. KW - High-resolution mass spectrometry KW - Warfarin KW - Hydroxy warfarin KW - Fragmentation pathway PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-596025 DO - https://doi.org/10.1016/j.ijms.2024.117220 SN - 1387-3806 VL - 499 SP - 1 EP - 7 PB - Elsevier B.V. AN - OPUS4-59602 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - von Törne, Wipert Jannik A1 - Klyk-Seitz, Urszula-Anna A1 - Piechotta, Christian T1 - Developing a GC-EI-MS/MS method for quantifying warfarin and five hydroxylated metabolites generated by the Fenton reaction N2 - AbstractSince the 1950s, Warfarin has been used globally as both a prescription drug and a rodenticide. Research has shown that warfarin and other rodenticides are present in the environment and food chain. However, emerging contaminants are subject to degradation by biotic and abiotic processes and advanced oxidation processes. In some cases, detecting the parent compound may not be possible due to the formation of structurally changed species. This approach aims to identify hydroxylated transformation products of warfarin in a laboratory setting, even after the parent compound has undergone degradation. Therefore, the Fenton reaction is utilized to insert hydroxylation into the parent compound, warfarin, by hydroxyl and hydroperoxyl radicals generated by Fe2+/Fe3+ redox reaction with hydrogen peroxide. Using multiple reaction monitoring, a GC–MS/MS method, incorporating isotopically labeled reference compounds, is used to quantify the expected derivatized species. The analytes are derivatized using trimethyl-3-trifluoromethyl phenyl ammonium hydroxide, and the derivatization yield of warfarin is determined by using isotopically labeled reference compounds. The method has a linear working range of 30 to 1800 ng/mL, with detection limits ranging from 18.7 to 67.0 ng/mL. The analytes are enriched using a C18-SPE step, and the recovery for each compound is calculated. The Fenton reaction generates all preselected hydroxylated transformation products of warfarin. The method successfully identifies that 4′-Me-O-WAR forms preferentially under the specified experimental conditions. By further optimizing the SPE clean-up procedures, this GC–MS-based method will be suitable for detecting transformation products in more complex matrices, such as environmental water samples. Overall, this study provides a better understanding of warfarin’s degradation and offers a robust analytical tool for investigating its transformation products. KW - Health, Toxicology and Mutagenesis KW - Pollution KW - Environmental Chemistry KW - General Medicine PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595737 DO - https://doi.org/10.1007/s11356-024-32133-3 SN - 0944-1344 VL - 31 SP - 16986 EP - 16994 PB - Springer Science and Business Media LLC AN - OPUS4-59573 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Single cell ICP-ToF-MS as a powerful tool in environmental and material research N2 - Materials are key for our modern communities. In particular metals play important roles in all areas of our daily life - from building materials to high tech products. Due to the increasing consumption of metals and corresponding waste production, an elevated release into the environment takes place. Furthermore, metals in direct contact with the environment undergo corrosion leading to a release into the (aquatic) environment. Thus, lifespan of products/buildings are substantially reduced – hence unnecessary economic costs arise. Thus, research in this regard is needed within the force field of metal/material - environment. Evaluating the environmental impact of materials as well as developing “safe” materials, new analytical methods are highly needed. One promising powerful tool is single cell-ICP-ToF-MS for multi-elemental analysis on a single cell/organism level. Within this presentation the concept, strength as well as challenge of single cell-ICP-MS are briefly introduced. Two application examples are presented: (i) assessing the environmental impact of metals and (ii) the impact of the environment on metal-based materials and the derivation of potential environmental-friendly material protection strategies. These applications highlight the strength of new analytical approaches to explore the durability and safety of newly developed materials. Thus, analytical chemistry is one corner stone to transformation of modern society into circular economy (CEco). (i) Diatoms are located at the bottom of the food chain. Thus, toxicological relevant metals taken up by diatoms possibly accumulate within the food web causing harmful effects. Diatoms are common test system in ecotoxicology. To investigate potential metal uptake and effects, we developed an on-line single cell-ICP-ToF-MS approach for multi-elemental diatom analysis. Our approach is a new potential tool in ecotoxicological testing for metal-based materials. (ii) Next to classical corrosion processes, microorganisms are responsible for so called microbially influenced corrosion (MIC). MIC is a highly unpredictable process relying on interaction pathways between cells and the metal surface. Sheding light on MIC processes and derivate potential protection strategies, we applied single cell-ICP-ToF-MS for MIC research on a single bacteria/archaea level. It turned out that microorganism are taking up particular metals from alloys - thus, single bacteria-ICP-ToF-MS will enable development of corrosion protection strategies. T2 - SCIX 2022 CY - Cincinnati, OH, USA DA - 02.10.2022 KW - Single cell-ICP-ToF-MS KW - Algae KW - MIC PY - 2022 AN - OPUS4-56542 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Busche, Steffen A. A1 - Vigarani, Giulia A1 - Retzmann, Anika A1 - Meermann, Björn A1 - Börner, Hans G. T1 - Heavy metal on stage: Making ion-exchange resin selective by peptide tetrazine-norbornene ligation N2 - The challenge of recycling metal salt-contaminated wastewater is more relevant than ever, and cost-effective materials for specific ion-binding are required. A generic route to functionalize a macroporous polystyrene ion-exchange resin (LR-NH2) via chemoselective inverse electron-demand Diels-Alder (IEDDA) ligation is demonstrated. The resin is modified using accessible endo-/exo-5-norbornene-2-carboxylic acid (Nb-COOH) and a set of tetrazine-functionalized 5mer peptides based on sequence variations of the literature known Cu2+ binding domain HGGGW is employed for the IEDDA ligation. The resulting peptide-functionalized resins (LR-Pz-Peptides) are studied for Cu2+ binding to correlate ion-binding capacity with sequence properties by single bead analysis of metal amounts via inductively-coupled plasma mass spectrometry (ICP-MS). The complexation preferences are demonstrated and utilized for specific binding of Cu2+ versus Ni2+ from 1:1 salt mixture as a model system. Enrichment factors of up to 305 could be realized, which might open the potential for applications in metal recycling or waste water purification. KW - Heavy metals KW - Ion exchange resins KW - Analysis PY - 2024 DO - https://doi.org/10.1016/j.polymer.2023.126608 SN - 0032-3861 VL - 291 SP - 1 EP - 12 PB - Elsevier Ltd. AN - OPUS4-60756 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zweigle, Jonathan A1 - Simon, Fabian A1 - Meermann, Björn A1 - Zwiener, Christian T1 - Can Qualitative Nontarget Data Be Indicative of PFAS Contamination? First Evidence by Correlation with EOF in Environmental Samples N2 - We correlated nontarget screening (NTS) features and extractable organic fluorine (EOF) data for PFAS analysis in environmental samples. Soils, sediments, and ashes from different locations (Germany, France, and Lithuania) (n = 34) were analyzed via liquid chromatography-high-resolution mass spectrometry and high-resolution continuum source-graphite furnace molecular absorption spectrometry. NTS feature prioritization based on mass to carbon (m/C) and mass defect to carbon (MD/C) ratios was applied to discriminate potential PFAS features from common co-extracted organic matrix. Our results show a high correlation between quantitative EOF and the prioritized feature number (R2 = 0.87; rPearson = 0.93) and the total peak area of prioritized features (R2 = 0.97; rPearson = 0.98), while commonly applied MD ranges for filtering showed much weaker correlation with EOF. The observed correlations in PFAS-contaminated samples highlight that MD/C−m/C prioritization is associated with a good indication of the overall PFAS burden as evidenced by EOF. Also, semiquantitative data can be extracted as shown by EOF versus prioritized peak areas. The correlations indicate that weakly fluorinated compounds were negligible and that the EOF was mostly composed of highly fluorinated substances. Our method features the potential to automatically screen large NTS data sets for potential PFAS, determine the contribution of PFAS to EOF, and provide preliminary estimates of the overall PFAS burden. KW - PFAS KW - Non-target Screening KW - Sum parameter PY - 2024 DO - https://doi.org/10.1021/acs.estlett.4c00442 SN - 2328-8930 SP - 1 EP - 6 PB - American Chemical Society (ACS) AN - OPUS4-60754 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ecke, Alexander A1 - Westphalen, Tanja A1 - Retzmann, Anika A1 - Schneider, Rudolf T1 - Factors affecting the hydrolysis of the antibiotic amoxicillin in the aquatic environment N2 - The environmental fate of the frequently used broad-spectrum β-lactam antibiotic amoxicillin (AMX) is of high concern regarding the potential evolution of antimicrobial resistance (AMR). Moreover, it is known that AMX is prone to hydrolysis, yielding a variety of hydrolysis products (HPs) with yet unknown effects. Studies to identify those HPs and investigate their formation mechanisms have been reported but a long-term study on their stability in real water samples was missing. In this regard, we investigated the hydrolysis of AMX at two concentration levels in four distinct water types under three different storage conditions over two months. Concentrations of AMX and four relevant HPs were monitored by an LC-MS/MS method revealing pronounced differences in the hydrolysis rate of AMX in tap water and mineral water on the one hand (fast) and surface water on the other(slow). In this context, the occurrence, relative intensities, and stability of certain HPs are more dependent on the water type than on the storage condition. As clarified by ICP-MS, the main difference between the water types was the content of the metals copper and zinc which are supposed to catalyze AMX hydrolysis demonstrating an effective method to degrade AMX at ambient conditions. KW - β-lactam KW - Stability KW - Degradation KW - Hydrolysis products KW - LC-MS/MS KW - ICP-MS PY - 2023 DO - https://doi.org/10.1016/j.chemosphere.2022.136921 SN - 0045-6535 VL - 311 SP - 136921 PB - Elsevier Ltd. AN - OPUS4-56124 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 - Frenzel, Olivia T1 - Identification of transformation products and metabolites of selected Bisphenols N2 - Bisphenol A (BPA) is widely used in many Polymers. Many outdoor applications are made from BPA-based materials which are exposed to a variety of environmental impacts, like temperature, solar radiation, rain, and others. This could lead to damaging and aging of the material which might cause leaching or migration of pollutants into the environment. To understand the fate and behavior different transformation products of selected Bisphenols will be generated and analyzed. T2 - Umwelt2022 CY - Emden, Germany DA - 05.09.2022 KW - Environment KW - Bisphenols KW - Transformation products KW - Metabolites KW - Wastewater PY - 2022 AN - OPUS4-56203 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Breuninger, Esther S. A1 - Tolu, Julie A1 - Aemisegger, Franziska A1 - Thurnherr, Iris A1 - Bouchet, Sylvain A1 - Mestrot, Adrien A1 - Ossola, Rachele A1 - McNeill, Kristopher A1 - Tukhmetova, Dariya A1 - Vogl, Jochen A1 - Meermann, Björn A1 - Sonke, Jeroen E. A1 - Winkel, Lenny H. E. T1 - Marine and terrestrial contributions to atmospheric deposition fluxes of methylated arsenic species N2 - Arsenic, a toxic element from both anthropogenic and natural sources, reaches surface environments through atmospheric cycling and dry and wet deposition. Biomethylation volatilizes arsenic into the atmosphere and deposition cycles it back to the surface, affecting soil-plant systems. Chemical speciation of deposited arsenic is important for understanding further processing in soils and bioavailability. However, the range of atmospheric transport and source signature of arsenic species remain understudied. Here we report significant levels ofmethylated arsenic in precipitation, cloudwater and aerosols collected under free tropospheric conditions at Pic du Midi Observatory (France) indicating long-range transport, which is crucial for atmospheric budgets. Through chemical analyses andmoisture source diagnostics, we identify terrestrial and marine sources for distinct arsenic species. Estimated atmospheric deposition fluxes of methylated arsenic are similar to reported methylation rates in soils, highlighting atmospheric deposition as a significant, overlooked source of potentially bioavailable methylated arsenic species impacting plant uptake in soils. KW - Arsenic KW - Speciation KW - Fluxes KW - Marine KW - Terrestrial KW - Sulfur isotopes PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-615551 DO - https://doi.org/10.1038/s41467-024-53974-z SN - 2041-1723 VL - 15 IS - 1 SP - 1 EP - 13 PB - Springer Science and Business Media LLC AN - OPUS4-61555 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Scharek, Vera T1 - Speciation Analysis of Organo-Tin in Environmental Samples via Electrothermal Vaporization/Inductively Coupled Plasma Mass Spectrometry 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. To prevent the so-called bio-fouling, antifoulant paints containing the organometallic compound tributyltin (TBT) have been used on ship hulls since the 1960s. Compared to the generally considered non-toxic inorganic tin, the endocrine disruptor TBT leads to the endangerment 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. Nevertheless, recent studies have found alarmingly high concentrations in sediment. Organotin compounds (OTCs) are known to persist and accumulate in marine sediments, posing a long-term threat to the environment. Once released from the ship hull, TBT 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 butyltin compounds, making them bioavailable even in distant regions. The monitoring of OTCs in sediment is inevitable to conduct a comprehensive risk assessment and a thorough monitoring of pollution. 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 high potential as a rapid and chemical-saving screening tool for OTCs in environmental samples. The main challenge for obtaining correct, quantitative data with direct solid sampling techniques like ETV/ICP-MS is the application of a suitable calibration strategy. In this context, a new quantification method based on on-line isotope dilution analysis has been developed and validated by a reference material with certified OTC content. Our approach overcomes matrix effects while being compatible with commercially available ETV systems. Using an optimized multi-step ETV temperature program, the full separation of OTCs, inorganic tin, and major matrix components could be achieved. Since its use as a screening tool, analyzing OTCs as a sum parameter is beneficial and can complement chromatographic approaches. T2 - European Symposium on Analytical Spectrometry (ESAS) CY - Warsaw, Poland DA - 24.06.2024 KW - Organotin compounds KW - Sediment KW - Electrothermal Vaporization KW - Inductively coupled plasma-mass spectrometry PY - 2024 AN - OPUS4-61621 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 - JOUR A1 - Zweigle, J. A1 - Schmidt, A. A1 - Bugsel, B. A1 - Vogel, Christian A1 - Simon, Fabian A1 - Zwiener, C. T1 - Perfluoroalkyl acid precursor or weakly fluorinated organic compound? A proof of concept for oxidative fractionation of PFAS and organofluorines N2 - Organofluorine mass balance approaches are increasingly applied to investigate the occurrence of per- and polyfluoroalkyl substances (PFAS) and other organofluorines in environmental samples more comprehensively. Usually, complex samples prevent the identification and quantification of every fluorine-containing molecule. Consequently, large unidentified fractions between fluorine sum parameters such as extractable organic fluorine (EOF) and the sum of quantified analytes are frequently reported. We propose using oxidative conversion to separate (unidentified) weakly fluorinated compounds (e.g., pesticides, pharmaceuticals) from PFAA-precursors (perfluoroalkyl chain lengths ≥ C6). We show with three organofluorine model substances (flufenamic acid, diflufenican, pantoprazole) that CF3-groups or aromatic fluorine can be quantitatively converted to inorganic fluoride and trifluoroacetic acid (TFA) by applying PhotoTOP oxidation (UV/TiO2). The principle of fluorine separation in mixtures is demonstrated by the oxidation of the three weakly fluorinated compounds together with the PFAA-precursor 6:2/6:2 fluorotelomer mercaptoalkyl phosphate diester (FTMAP). After oxidation, the products F− and TFA were separated from PFCAs ( C4) by SPE, and the fractions were analyzed individually. Closed mass balances both with and without the addition of organic matrix were achieved. Eventually, the fluorine balance was verified by total fluorine measurements with combustion ion chromatography (CIC). The proposed methods should be considered a proof of concept to potentially explain unidentified fractions of the EOF, especially if compounds with low fluorine content such as pesticides, pharmaceuticals, and their transformation products contribute largely to the EOF. Future studies are needed to show the applicability to the complexity of environmental samples. Graphical Abstract KW - Combustion Ion Chromatography KW - Per- and Polyfluoroalkyl substances (PFAS) PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-613429 DO - https://doi.org/10.1007/s00216-024-05590-5 SP - 1 EP - 10 PB - Springer Science and Business Media LLC AN - OPUS4-61342 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis – From Materials to Environment N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - Analytisches Seminar Uni Duisburg Essen CY - Duisburg, Germany DA - 26.02.2024 KW - PFAS KW - HR-CS-GFMAS KW - Sum parameter PY - 2024 AN - OPUS4-62240 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis – From Materials to Environment N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - GDCh Kolloquium CY - Freiberg, Germany DA - 29.05.2024 KW - PFAS KW - HER-CS-GFMAS KW - Evolution of pollution PY - 2024 AN - OPUS4-62241 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Element Analytical Methods for a Sustainable Transformation of our Society N2 - Ressourcenknappheit benötigt alternative Strategien, um auch nachfolgenden Generationen eine lebenswerte Welt zu erhalten und einen guten Lebensstandard zu gewährleisten. Ein wesentlicher Beitrag hierzu wird die Transformation unserer Gesellschaft hin zu einer Kreislaufwirtschaft (CEco) sein. Bisher ist unsere Wirtschaft nicht dahingehend ausgelegt – ein wesentlicher Beitrag muss seitens der Analytischen Chemie kommen – nur hierüber können Qualitätsstandards und –kontrolle gewährleistet werden Im Rahmen meines eigeladenen Vortrags werden elementanalytisch Methoden, die in meinem Fachbereich entwickelt/angewendet werden, für eine CEco vorgestellt. T2 - Analytica Conference CY - Munich, Germany DA - 11.04.2024 KW - PFAS KW - HR-CS-GFMAS KW - Sum parameter PY - 2024 AN - OPUS4-62242 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis – From Materials to Environment N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - Wiley - Free Virtual Event –The Forefront of Environmental Toxicology CY - Online meeting DA - 25.09.2024 KW - HR-CS-GFMAS KW - PFAS KW - Environment PY - 2024 AN - OPUS4-62244 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Discrete element and isotope analytical methods for a sustainable transformation of our society N2 - Ressourcenknappheit benötigt alternative Strategien, um auch nachfolgenden Generationen eine lebenswerte Welt zu erhalten und einen guten Lebensstandard zu gewährleisten. Ein wesentlicher Beitrag hierzu wird die Transformation unserer Gesellschaft hin zu einer Kreislaufwirtschaft (CEco) sein. Bisher ist unsere Wirtschaft nicht dahingehend ausgelegt – ein wesentlicher Beitrag muss seitens der Analytischen Chemie kommen – nur hierüber können Qualitätsstandards und –kontrolle gewährleistet werden. Im Rahmen meines eigeladenen Vortrags werden elementanalytisch Methoden, die in meinem Fachbereich entwickelt/angewendet werden, für eine CEco vorgestellt. T2 - Summer school CY - Poland DA - 31.07.2024 KW - Elemental analysis KW - Division 1.1 KW - Environment - material PY - 2024 AN - OPUS4-62245 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Was macht eigentlich der AK Meermann an der BAM in Berlin? N2 - Der Vortrag wurde im Rahmen des PhD Seminars in Hohenroda de AK Sep. Sciences der GDCh gehalten.Hierin habe ich die Forschungsschwerpunkte meines Fachbereichs vorgestellt und einen Überblick über meine Forschungs-Themenbreite gegeben. T2 - PhD Seminar Hohenroda CY - Hohenroda, Germany DA - 09.01.2024 KW - Umwelt KW - Material KW - Elementanalytik PY - 2024 AN - OPUS4-62246 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Analytical Approaches for PFAS Sum-parameter Analysis N2 - PFAS sind emerging pollutants und sind omnipräsent – sowohl in vielen Produkten als auch in der Umwelt. Aufgrund der Vielzahl an verschiedenen Verbindungen werden dringend neue Analytische Methoden zum Nachweis der PFAS benötigt. Im Rahmen meines eingeladenen Vortrags werden neue elementanalytische Summenparameterverfahren, die in meinem Fachbereich entwickelt wurden, vorgestellt. T2 - PFAS partnership workshop CY - Online meeting DA - 27.03.2024 KW - HR-CS-GFMAS KW - PFAS KW - Environment PY - 2024 AN - OPUS4-62247 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schünemann, Pia A1 - Junge, Florian T1 - New adsorbent materials for PFAS N2 - PFAS are a growing area of concern, and there is a need for the development of new adsorbent materials for a variety of applications, including sample preparation in environmental analysis and the remediation of water resources from PFAS contamination. In this presentation, we will discuss the next steps of the corporation and introduce some ideas for new adsorbent materials. T2 - Network Meeting SFB 1349 CY - Berlin, Germany DA - 07.11.2024 KW - PFAS KW - Adsorber KW - Environmental Analysis PY - 2024 AN - OPUS4-61762 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 - Piechotta, Christian T1 - Mass spectrometric elucidation of electron ionization induced fragmentation pathways of methylated warfarin and selected hydroxylated species 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 - Mass spectrometry KW - Warfarin PY - 2024 AN - OPUS4-61902 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 - TY - CONF A1 - Schünemann, Pia T1 - Novel Approaches to PFAS Monitoring: extractable organic fluorine as a PFAS sum parameter N2 - In this project a sum parameter approach (extractable organic fluorine, EOF) is used to monitor a broad spectrum of PFAS in surface water. Herein, high resolution continuum source molecular adsorption spectrometry (HR-CS-GFMAS) is employed for fast and sensitive measurements. An environmental study was carried out on the River Spree. Samples were collected over the course of one year to allow a more detailed look into seasonal changes. Following this, a range of options are being investigated with a view to removing PFAS from the environment regarding water samples. Potential adsorber materials are explored based on Graphene (in cooperation with the Haag-Group) and COFs (in cooperation with the Emmerling-Group). Initial experiments were performed, and the preliminary results are presented. Furthermore, experiments for PFAS adsorption are being improved and PFAS specific adsorption will be analyzed. Sum Parameter approaches have the chance to identify Hot-Spots in the environment and to cover a broad range of PFAS in a single measurement. Moreover, an overview of the environmental pollution is provided. T2 - PhD Retreat SFB 1349 CY - Misdroy, Poland DA - 28.04.2025 KW - PFAS KW - HR-CS-GFMAS KW - Environmental Analysis KW - Adsorber PY - 2025 AN - OPUS4-63138 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vogel, Christian A1 - Roesch, Philipp A1 - Wittwer, Philipp A1 - Sommerfeld, Thomas A1 - Riedel, Maren A1 - Leube, Peter A1 - Kalbe, Ute A1 - Schoknecht, Ute A1 - Simon, Franz-Georg T1 - Per- and Polyfluoroalkyl Substances (PFAS) in Ski Waxes and Snow from Cross-Country Skiing in Germany - Comparative study of Sum Parameter and Target Analysis N2 - Per- and polyfluoroalkyl substances (PFAS) are often environmentally exposed via discharge through human consumer products, such as ski waxes. In our study we analyzed various ski waxes from the 1980s and 2020s, to determine both the sum parameter values total fluorine (TF), extractable organically bound fluorine (EOF), hydrolysable organically bound fluorine (HOF) as well as targeted PFAS analysis. This showed that modern high-performance waxes contain up to 6 % TF, but also PFAS-free labelled ski waxes contain traces of PFAS with EOF/HOF values in the low mg kg-1 range. With the ban of all fluorine-based waxes with the start of the 2023/2024 winter season this will probably change soon. Moreover, we applied our analysis methods to snow samples from a frequently used cross country ski trail (Kammloipe) in the Ore Mountain region in Germany, assessing the potential PFAS entry/discharge through ski waxes. Melted snow samples from different spots were analyzed by the adsorbable organically bound fluorine (AOF) sum parameter and PFAS target analysis and confirmed the abrasion of the ski waxes into the snow. Moreover, on a PFAS hotspot also soil samples were analyzed, which indicate that PFAS from the ski waxes adsorb after snow melting into the soil. KW - Combustion Ion Chromatography KW - Per- and Polyfluoroalkyl substances (PFAS) KW - Consumer Products PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-612760 DO - https://doi.org/10.1016/j.hazadv.2024.100484 VL - 16 SP - 1 EP - 5 PB - Elsevier B.V. AN - OPUS4-61276 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sowoidnich, K. A1 - Maiwald, M. A1 - Ostermann, Markus A1 - Sumpf, B. T1 - Shifted excitation Raman difference spectroscopy for soil component identification and soil carbonate determination in the presence of strong fluorescence interference N2 - Detailed knowledge about soil composition is an important prerequisite for many applications, for example precision agriculture. Current standard laboratory methods are complex and time-consuming but could be complemented by non-invasive optical techniques. Its capability to provide a molecular fingerprint of individual soil components makes Raman spectroscopy a very promising candidate. A major challenge is strong fluorescence interference inherent to soil, but this issue can be overcome effectively using shifted excitation Raman difference spectroscopy (SERDS). A customized dual-wavelength diode laser emitting at 785.2 and 784.6 nm was used to investigate 117 soil samples collected from an agricultural field along a distance of 624 m and down to depths of 1 m. To address soil spatial heterogeneity, a raster scan approach comprising 100 measurement spots per sample was applied. Based on the Raman spectroscopic fingerprint extracted from intense fluorescence interference by SERDS, 13 mineral soil constituents were identified, and even closely related molecular species could be discriminated, for example polymorphs of titanium dioxide and calcium carbonate. For the first time, the capability of SERDS is demonstrated to predict the calcium carbonate content as an important soil parameter using partial least squares regression (R2 = 0.94, root mean square error of cross-validation RMSECV = 2.1%). Our findings demonstrate that SERDS can extract a wealth of spectroscopic information from disturbing backgrounds enabling qualitative and quantitative soil analysis. This highlights the large potential of SERDS for precision agriculture but also in further application areas, for example geology, cultural heritage and planetary exploration. KW - Calcium carbonate KW - Raman spectroscopy KW - Soil KW - X-Ray fluorescence KW - SERDS PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-569016 DO - https://doi.org/10.1002/jrs.6500 SN - 0377-0486 IS - Special Issue SP - 1 EP - 14 PB - John Wiley & Sons Ltd. CY - Hoboken, New Jersey, USA AN - OPUS4-56901 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pätzold, Stefan A1 - Ostermann, Markus A1 - Heggemann, Tobias A1 - Wehrle, Ralf T1 - Impact of potassium fertilisation on mobile proximal gamma-ray spectrometry: case study on a long-term field trial N2 - Mobile proximal gamma-ray spectrometry (GS) is an emerging approach to estimate soil texture directly in the field. It relies on gamma radiation emitted during the natural decay of potassium-40 (K-40) and other isotopes. The K-40 counts are correlated with total K content, mineralogical soil composition and therefore with soil texture. Yet, it is not clear if K fertilisation impacts the ratio of K-40 to total K which would necessitate to take the fertilisation history into account for soil sensing applications. To elucidate this question, a well-documented long-term experiment was selected. The soils of the Rengen grassland experiment (55 plots) were investigated for total K (XRF-K) and for K-40 via mobile proximal GS. No significant differences in XRF-K and K-40 were found between the treatments with and without K fertilisation, although formely published results point to negative and positive K balances, respectively. Fertiliser analysis revealed a ratio of K-40 to total K that was almost identical to the natural abundance of 0.0117%. It was concluded that it is not necessary to take K fertilisation history into account when predicting soil texture from mobile proximal GS on agricultural land for, e.g., precision farming purposes. KW - Soil heterogeneity KW - Potash KW - Isotope ratio KW - Proximal soil sensing KW - XRF PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584115 DO - https://doi.org/10.1007/s11119-023-10071-3 SN - 1573-1618 SP - 1 EP - 11 PB - Springer Nature CY - Berlin AN - OPUS4-58411 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Grimmer, Christoph T1 - Development, application and measurement uncertainty of emission reference materials N2 - Volatile organic compounds (VOCs) emitted by furniture and building materials can cause health issues. For an improvement of indoor air quality low emitting materials should be used. Quality assurance and –control (QA/QC) measures require an emission reference material (ERM) with a predictable emission rate of VOCs. The idea is to use porous materials as ERM, which store the VOCs inside their pores and emit them constantly. T2 - Webinar Metrology for Indoor Air Quality Reference materials for QA/QC of the emission test chamber procedure CY - Online meeting DA - 11.04.2024 KW - Emission reference materials KW - Indoor air quality KW - Materials emissions test KW - VOC PY - 2024 AN - OPUS4-59963 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Grimmer, Christoph T1 - Preparation of novel emission reference materials: μ-capsules & impregnated porous materials N2 - Volatile organic compounds (VOCs) emitted by furniture and building materials can cause health issues. For an improvement of indoor air quality low emitting materials should be used. Quality assurance and –control (QA/QC) measures require an emission reference material (ERM) with a predictable emission rate of VOCs. The idea is to use porous materials as ERM, which store the VOCs inside their pores and emit them constantly. T2 - WORKSHOP: METROLOGY FOR INDOOR AIR QUALITY CY - Mol, Belgium DA - 18.10.2023 KW - Emission reference materials KW - Indoor air quality KW - Materials emissions test KW - VOC PY - 2023 AN - OPUS4-59961 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hussein, S. A1 - Kühl, A. A. A1 - Golusda, L. A1 - Plattner, C. A1 - Heinze, N. A1 - Sturm, G. A1 - Freise, C. A1 - Traub, Heike A1 - Schannor, Mathias A1 - Trajanoski, Z. A1 - Taupitz, M. A1 - Siegmund, B. A1 - Paclik, D. T1 - Phenotype and function of human monocytes remain mainly unaffected by very small superparamagnetic iron oxide particles N2 - The field of medical application of organic or inorganic nanoparticles is extensive. Medical nanoparticles offer benefits but pose risks. For safe use in diagnostics and therapy, they should be inert, non-immunogenic, non-aggregating, and avoid long-term accumulation in sensitive tissues like bone marrow or the brain. We have developed in-house very small superparamagnetic iron oxide nanoparticles (VSOP), 7 nm in size, which have been successfully used in preclinical magnetic resonance imaging (MRI) to detect intestinal inflammation, neuroinflammation and atherosclerosis. This study examines nanoparticle effects on human blood cells focusing on monocytes in vitro as a first step toward clinical application. Whole blood and monocytes from healthy donors and patients with inflammatory bowel disease were treated with VSOP in vitro and analyzed for changes in their transcriptome, phenotype and function. RNA sequencing of monocytes identified the transferrin receptor as one of the most significantly downregulated genes after VSOP treatment, likely to limit iron uptake. Whereas whole blood RNA sequencing showed significant changes only in three non-coding genes. CyTOF analysis confirmed that VSOP-treated monocytes remain inactive, with no increased proliferation or altered migration. Metabolically, VSOP uptake enhanced the oxygen consumption rate. This effect was likely due to phagocytosis rather than effects mediated by the VSOP itself, as phagocytosis of latex beads showed comparable results. In summary, the analysis of peripheral blood mononuclear cells and monocytes suggests that VSOP treatment has no major impact on immune cell phenotype or function indicating VSOP as a promising diagnostic tool in MRI for inflammatory bowel disease. KW - Imaging KW - Nanoparticle KW - Monocytes KW - Contrast agent KW - Diagnostics KW - ICP-MS KW - LA-ICP-MS KW - VSOP PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-632012 DO - https://doi.org/10.3389/fnano.2025.1584000 SN - 2673-3013 VL - 7 SP - 1 EP - 16 PB - Frontiers Media CY - Lausanne AN - OPUS4-63201 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schünemann, Pia T1 - Seasonal PFAS monitoring in surface water via complementary EOF (HR-CS-GFMAS) and target analytics N2 - The aim of this study was to investigate seasonal shifts in PFAS contamination. Therefore, samples were collected from the River Spree to measure the level of extractable organically bound fluorine (EOF). This was achieved by employing high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS), a method for EOF surface water analysis first described by Metzger et al.. Complementary target-screenings were performed for a small set of relevant PFAS to achieve a more detailed look into the PFAS contamination over time and space and into the identifiable fraction of the EOF. Furthermore, hot spots of relevant PFAS pollution were identified in the river system. T2 - PFAS - Vermeidbar, Ersetzbar, Unverzichtbar?! CY - Berlin, Germany DA - 07.04.2025 KW - PFAS KW - HR-CS-GFMAS KW - Environmental Analysis PY - 2025 AN - OPUS4-63137 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schünemann, Pia T1 - Seasonal PFAS monitoring in surface water via complementary EOF (HR-CS-GFMAS) and target analytics N2 - The aim of this study was to investigate seasonal shifts in PFAS contamination. Therefore, samples were collected from the River Spree to measure the level of extractable organically bound fluorine (EOF). This was achieved by employing high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS), a method for EOF surface water analysis first described by Metzger et al.. Complementary target-screenings were performed for a small set of relevant PFAS to achieve a more detailed look into the PFAS contamination over time and space and into the identifiable fraction of the EOF. Furthermore, hot spots of relevant PFAS pollution were identified in the river system. T2 - Anakon 2025 CY - Leipzig, Germany DA - 10.03.2025 KW - PFAS KW - HR-CS-GFMAS KW - Environmental Analysis PY - 2025 AN - OPUS4-63136 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Azimzada, Agil T1 - AF4/ICP-ToF-MS for the investigation of species-specific adsorption of organometallic contaminants on natural colloidal particles N2 - Organotin (OT) compounds are essential in various industrial applications, but they pose significant risks to both the environment and human health. The toxicity and transport dynamics of OTs depend on their specific chemical forms— i.e., the type and number of organic substituents—resulting in distinct toxicity profiles and varying affinities for environmental colloids. These colloids-species interactions collectively influence the mobility, bioavailability, and health impacts of OTs. To date, however, most studies addressed speciation and colloidal characterization separately; thus, the data on the combined determinations of the organometallic species in association with their carrier colloidal fractions remain largely elusive. Here, we present a comprehensive account of method development, application, and validation to quantitatively characterize the adsorption dynamics of 10 different OT species on natural colloidal particles (<500 nm). Our approach utilizes asymmetrical flow field-flow fractionation (AF4) coupled with inductively coupled plasma time-of-flight mass spectrometry (ICP-ToF-MS), achieving detection limits for Sn-equivalent concentrations as low as 6.0 ng/L. The method effectively separates free OT species from those bound to colloids, facilitates the fractionation of particles ranging from a few nm up to 500 nm, and enables the determination of fraction-specific OT interactions. This unique dataset offers comparative insights into the interactions of 10 OT species, representing a significant advancement in understanding species-colloid interactions. Our findings have important implications for assessing the distribution and mobility patterns of toxic organometallic species in surface waters, groundwater, sediments, and soils. The approach can be applied to an array of organometallics species (e.g., organolead, organomercury), generating essential experimental data that are critical for informed risk assessments and the improvement of regulatory frameworks. T2 - 5th ToFCON conference CY - Online meeting DA - 19.11.2024 KW - Fractionation KW - Speciation KW - Adsorption KW - Colloids KW - Organotin PY - 2024 AN - OPUS4-61748 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bourgon, Nicolas A1 - Oelze, Marcus A1 - Roberts, Patrick T1 - Less is more: Limiting semi-invasive sampling for multi-isotope analyses and increasing data output from single aliquot samples N2 - Developments in multi-isotope applications now enable the production of direct and precise life history data of studied archeological and paleoanthropological specimens, with analysis of tooth enamel proving particularly powerful in deep-time preservation contexts. However, the increasing amount of sample material necessary too-often compromises the specimen's structural integrity. Finding ways of minimizing semi-invasive sampling while maximizing produced data thus becomes increasingly crucial. In this study, we examine ways of optimizing sample use for state-of-the-art isotope measurements of enamel-bound zinc (δ66Zn), an increasingly used method in multi-isotope archeological research. We show that certain desolvating nebulizer introduction systems can be used to measure δ66Zn with high efficiency and accuracy using less than half the usual sample size. Moreover, we demonstrate that remaining samples subjected to typical pretreatments used for tooth enamel carbonate (δ13C and δ18O) studies can be safely used without alterations to δ66Zn values. Similarly, we highlight that the often-discarded matrix fraction from zinc chromatography can be utilized for further analyses, such as measurements of 87Sr/86Sr ratios. Our results underscore the possibility of extracting the maximum information from specimens while altogether avoiding or significantly reducing semi-invasive sampling. KW - Multi-isotope KW - Zinc isotope analysis KW - Tooth enamel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637986 DO - https://doi.org/10.1016/j.jas.2025.106308 SN - 0305-4403 VL - 180 SP - 1 EP - 8 PB - Elsevier Ltd. AN - OPUS4-63798 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharek, Vera M. A1 - Pfeifer, Jens A1 - Vogl, Jochen A1 - Traub, Heike A1 - Meermann, Björn T1 - Tin fractionation analysis in sediment samples via on-line ID ETV/ICP-MS N2 - We report a quantification approach for directly determining total tin and tin-based pollutants/species in sediments via electrothermal vaporization/inductively coupled plasma-mass spectrometry (ETV/ICP-MS) utilizing an on-line isotope dilution mass spectrometry (IDMS) approach. The method was developed and validated using an estuarine sediment reference material (BCR-277R), yielding a recovery of 106%. A relative standard deviation (RSD) of 14%, comparable to published data using a similar method, was obtained. A limit of quantification (LOQ) was estimated at 0.008 mg Sn kg−1 and sufficient for quantifying the total tin mass fraction of surface sediments along the tidal River Elbe course. Hereby, a decrease towards the river mouth, presumably due to dilution effects by less polluted marine sediment, was observed. Besides total tin, monitoring of organotin compounds (OTCs)/species is of interest in sediments due to their toxic effects on aquatic life. The method’s capability was extended by separating an OTC fraction in a sediment certified reference material (CRM) through the ETV temperature program. While spiking experiments with OTC standards confirmed the assignment, only a small fraction of the total certified OTC amount (3%), likely due to matrix effects, was recovered. However, applying the method to real-world samples, OTCs were detectable along the River Elbe course. By this, we demonstrated the potential of our method as a complementary fast-screening approach to species-specific analysis procedures. KW - ETV KW - Sn-Speciation KW - Sediment PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640137 DO - https://doi.org/10.1007/s00216-025-06064-y SN - 1618-2642 SP - 1 EP - 10 PB - Springer Science and Business Media LLC AN - OPUS4-64013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ferrari, Mattia T1 - Contamination Pathways and Remediation Strategies in a Thallium-Contaminated Geological Environment (Valdicastello Carducci area, Tuscany, Italy) N2 - Stable thallium isotopes (205Tl and 203Tl) have emerged as a key-tool to investigate geochemical processesand, in particular, to trace the origin of thallium in polluted sites [1]. Thallium is recognized among the 13 priority pollutants of the environment due to its increasing contamination levels in industrialized country. The southern sector of the Apuan Alps (Central Italy) is characterized by the occurrence of baryte-pyrite-iron oxide orebodies with a high thallium content (up to 4200 μg/g on primary pyrites;[2]). Notably, historical mining sites of Mt. Arsiccio and of Pollone mine [3,4] near Valdicastello Carducci have attracted attention due to alarming levels of Tl detected in drinking water that are above the U.S.EPA threshold of 2 μg/l. In this study, we aimed to enhance our understanding of the Tl geochemical cycling from the orebodies to the spring and surface waters. We selected various samples to trace contamination pathways from the source (i.e.,pyrite) to sulfosalts and sulfates and, ultimately to waters and sediments. Thallium concentrations along with other heavy metals were determined as well as thallium isotope compositions following established chromatographic separation routines [5]. The results allowed to obtain paramount information on the fate of this contaminant from its origin to the variety of matrices analysed (sediments and spring and surface waters). Furthermore, we suggest a method for Tl remediation from polluted water following the study of [6], who found a secondary source of Tl in the public distribution system pipeline at Valdicastello area due to the addition of chlorine-based oxidants. This method, based upon [7], takes into account the pH-Eh stability field of Tl specie(Tl2O3). Starting from natural water conditions originating from acid mine drainage, we modified the pH using NaOH and then adjusted the Eh using NaClO, achieving a 98% ± 1% removal rate of thallium from water. T2 - Goldschmidt Conference 2024 CY - Chicago, IL, USA DA - 18.08.2024 KW - Contamination KW - Mining KW - Remediation Strategies KW - Tl isotopes PY - 2024 AN - OPUS4-61593 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Feord, Helen K. A1 - Trautwein-Schult, Anke A1 - Keuschnig, Christoph A1 - Ostrzinski, Anne A1 - Peter, Elisa K. A1 - Jaeger, Carsten A1 - Lisec, Jan A1 - Mourot, Rey A1 - Peters, Ravi Sven A1 - Çiftçi, Ozan A1 - Tranter, Martyn A1 - Anesio, Alexandre M. A1 - Becher, Dörte A1 - Benning, Liane G. T1 - Algae-dominated metaproteomes uncover cellular adaptations to life on the Greenland Ice Sheet N2 - Eukaryotic algae-dominated microbiomes thrive on the Greenland Ice Sheet (GrIS) in harsh environmental conditions, including low temperatures, high light, and low nutrient availability. Chlorophyte algae bloom on snow, while streptophyte algae dominate bare ice surfaces. Empirical data about the cellular mechanisms responsible for their survival in these extreme conditions are scarce. This knowledge gap was addressed by quantifying proteins for both algal taxa from samples on the southern margin of the GrIS. We show that the streptophyte glacier ice algae have a relative enrichment in proteins involved in environmental signaling and nutrient transport, indicative of cellular readiness to dynamically respond to extreme GriS environmental cues, linked, for example, to photoprotection and the rapid update of scarce nutrients. In contrast, the chlorophyte snow algae have a high abundance of proteins linked to lipid and nitrogen metabolisms, providing evidence for the biological processes sustaining the cellular carbon and nitrogen stores necessary for survival in an oligotrophic environment. We also identify proteins in both taxa linked to the synthesis and breakdown of key cellular pigments. Our study gives novel insights into the cellular biology of these algae and their adaptation to extreme environments. KW - Metabolic profiling KW - Mass spectrometry KW - Ice algae PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641037 DO - https://doi.org/10.1038/s41522-025-00770-2 SN - 2055-5008 VL - 11 IS - 1 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-64103 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schoknecht, Ute A1 - Mathies, Helena A1 - Lisec, Jan T1 - Leaching and transformation of film preservatives in paints induced by combined exposure to ultraviolet radiation and water contact under controlled laboratory conditions N2 - Stormwater from urban areas can transport biocidally active substances and related transformation products from buildings into the environment. The occurrence of these substances in urban runoff depends on the availability of water, and on ultraviolet radiation exposure that causes photolytic reactions. In a systematic laboratory study, painted test specimens were exposed to either ultraviolet radiation, water contact, or a combination of both. Leaching of the biocidally active substances carbendazim, diuron, octylisothiazolinone, terbutryn, and selected transformation products of terbutryn and diuron were observed under various exposure conditions. Remaining concentrations of these substances in the paint were quantified. It was demonstrated that the distribution of active substances and transformation products in eluates and in the coatings themselves differs with exposure conditions. Strategies for environmental monitoring of biocide emissions need to consider the most relevant transformation products. However, environmental concentrations of biocidally active substances and transformation products depend on earlier exposure conditions. As a consequence, monitoring data cannot describe emission processes and predict expected leaching of biocidally active substances from buildings if the data are collected only occasionally. KW - Substance release KW - Construction products KW - Biocides KW - Transformation KW - UV radiation KW - Water contact PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-532114 DO - https://doi.org/10.3390/w13172390 SN - 2073-4441 VL - 13 IS - 17 SP - 1 EP - 16 PB - MDPI CY - Basel AN - OPUS4-53211 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Löwa, N. A1 - Golusda, L. A1 - Paclik, D. A1 - Traub, Heike A1 - Schannor, Mathias A1 - Saatz, Jessica A1 - Freise, C. A1 - Taupitz, M. A1 - Siegmund, B. A1 - Kühl, A. A. A1 - Wiekhorst, F. T1 - Magnetic particle spectroscopy for Eu-VSOP quantification in intestinal inflammation: Distinguishing nanoparticle signals from dietary contamination N2 - Magnetic nanoparticles are gaining increasing attention as a promising alternative to gadolinium-based contrast agents in magnetic resonance imaging, primarily due to their low toxicity. In this study, we investigated the use of magnetic iron oxide nanoparticles in mouse models of intestinal inflammation to assess their potential for detecting changes in the extracellular matrix. For magnetic quantification, we employed magnetic particle spectroscopy, which offers high sensitivity and minimal interference from biological tissue. However, we observed significant variations in magnetic signals within the intestine, as well as measurable signals in control animals, indicating possible magnetic contamination. By doping the nanoparticles with europium, we were able to confirm this suspicion through quantitative elemental analysis. Examination of mouse feed and feces allowed us to identify the source of contamination. Based on these findings, we developed a method to reliably distinguish genuine signals of magnetic nanoparticles from those caused by external magnetic contaminations. This approach is essential to ensure reliable results in future diagnostic and preclinical research. KW - ICP-MS KW - Nanoparticle KW - Magnetic particle spectroscopy KW - Quantification PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642238 DO - https://doi.org/10.1039/D5NA00452G SN - 2516-0230 IS - 00452 SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-64223 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Cairns, Warren R. L. A1 - Butler, Owen T. A1 - Cavoura, Olga A1 - Davidson, Christine M. A1 - Todolí-Torró, José-Luis A1 - von der Au, Marcus T1 - Atomic spectrometry update – a review of advances in environmental analysis N2 - Highlights in the field of air analysis included: a new focus on measuring micro- and nanoplastic particles in air, the development of hyphenated ICP-MS systems for in situ sampling and measurement of airborne metallic particles and the reported use of wearable black carbon sensors for measuring exposure to diesel fumes within the workplace. Significant advancements in the analysis of waters have been made in developing novel resin materials and new protocols for existing commercially available resins, aimed at the determination and speciation of trace levels of metals and metalloids in water matrices. These developments have been validated for sample purification and pre-concentration. In addition to traditional column chemistry, on-line hyphenated techniques were employed to enhance speciation analysis, with optimized methods enabling faster analysis and facilitating a more holistic approach by allowing the simultaneous detection of multiple species or elements in a single run. Efforts have also been directed towards detecting particles in the micro- and nanometer range, broadening the analytical scope beyond the ionic fraction. This year, the focus shifted from natural and engineered nanoparticles towards the critical field of plastic pollution, with several innovative methodologies introduced. Furthermore, to achieve better precision and lower detection limits in the field of MS/MS, numerous studies explored the behaviour of gases and reactions within reaction cells, contributing to the refinement of these techniques. In the analysis of soils and plants, methods aimed at improving the efficiency of green solvents were again prominent. Developments in AES were largely driven by the desire to create small, low-cost, low-power-consumption instrumentation suitable for field deployment. The study of NPs in soil and plant systems continued to be a focus for sp-ICP-MS. The past year has again seen a large volume of publications featuring LIBS, with particular interest in methods to enhance signal intensity and thereby improve limits of detection. Of interest in XRF was the development of in-house spectrometers for underwater mercury screening and in vivo plant analysis. Developments in geological analysis include new homogeneous natural and synthetic materials that have been developed as reference materials (RMs) in the analysis of geological samples by microanalytical techniques, such as LA-ICP-MS, LIBS and SIMS. Additional information on already existing RMs has been obtained for in situ isotope ratio determinations. Attention has been paid to sample preparation and purification methods able to shorten the analysis time and to improve the accuracy. Much attention has been paid to the use of LA-ICP-MS/MS as a means for removing spectral interferences in the case of in situ localized isotopic analysis and dating of geological materials. The development of new chemometric models as well as software has continued to improve data quality. The use of artificial intelligence is growing and techniques such as machine learning have led to significant improvements in the quality of geochemical results. KW - Review KW - Water KW - Environment PY - 2025 DO - https://doi.org/10.1039/D4JA90056A SN - 0267-9477 VL - 40 IS - 1 SP - 11 EP - 69 PB - Royal Society of Chemistry CY - London AN - OPUS4-62283 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wander, Lukas A1 - Lommel, Lukas A1 - Meyer, Klas A1 - Braun, Ulrike A1 - Paul, Andrea T1 - Development of a low-cost method for quantifying microplastics in soils and compost using near-infrared spectroscopy N2 - Near-infrared (NIR) spectroscopy is a promising candidate for low-cost, nondestructive, and high-throughput mass quantification of micro¬plastics in environmental samples. Widespread application of the technique is currently hampered mainly by the low sensitivity of NIR spectroscopy compared to thermo-analytical approaches commonly used for this type of analysis. This study shows how the application of NIR spectroscopy for mass quantification of microplastics can be extended to smaller analyte levels by combining it with a simple and rapid microplastic enrichment protocol. For this purpose, the widely used flotation of microplastics in a NaCl solution, accelerated by centrifugation, was chosen which allowed to remove up to 99 % of the matrix at recovery rates of 83–104 %. The spectroscopic measurements took place directly on the stainless-steel filters used to collect the extracted particles to reduce sample handling to a minimum. Partial least squares regression (PLSR) models were used to identify and quantify the extracted microplastics in the mass range of 1–10 mg. The simple and fast extraction procedure was systematically optimized to meet the requirements for the quantification of microplastics from common PE-, PP-, and PS-based packaging materials with a particle size < 1 mm found in compost or soils with high natural organic matter content (> 10 % determined by loss on ignition). Microplastics could be detected in model samples at a mass fraction of 1 mg g-1. The detectable microplastic mass fraction is about an order of magnitude lower compared to previous studies using NIR spectroscopy without additional enrichment. To emphasize the cost-effectiveness of the method, it was implemented using some of the cheapest and most compact NIR spectrometers available. KW - NIR KW - Soil KW - compost KW - PLSR PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546405 DO - https://doi.org/10.1088/1361-6501/ac5e5f SN - 0957-0233 VL - 33 IS - 7 SP - 075801 EP - 075814 PB - IOP Publishing Ltd. CY - UK AN - OPUS4-54640 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wander, Lukas A1 - Lommel, Lukas A1 - Braun, Ulrike A1 - Meyer, Klas A1 - Paul, Andrea T1 - Development of a Low-Cost Method for Quantifying Microplastics in Soils and Compost Using Near-Infrared Spectroscopy N2 - Near-infrared (NIR) spectroscopy is a promising candidate for low-cost, nondestructive, and highthroughput mass quantification of microplastics in environmental samples. Widespread application of the technique is currently hampered mainly by the low sensitivity of NIR spectroscopy compared to thermoanalytical approaches commonly used for this type of analysis. This study shows how the application of NIR spectroscopy for mass quantification of microplastics can be extended to smaller analyte levels by combining it with a simple and rapid microplastic enrichment protocol. For this purpose, the widely used flotation of microplastics in a NaCl solution, accelerated by centrifugation, was chosen which allowed to remove up to 99 % of the matrix at recovery rates of 83–104 %. The spectroscopic measurements took place directly on the stainless-steel filters used to collect the extracted particles to reduce sample handling to a minimum. Partial least squares regression (PLSR) models were used to identify and quantify the extracted microplastics in the mass range of 1–10 mg. The simple and fast extraction procedure was systematically optimized to meet the requirements for the quantification of microplastics from common PE-, PP-, and PS-based packaging materials with a particle size < 1 mm found in compost or soils with high natural organic matter content (> 10 % determined by loss on ignition). Microplastics could be detected in model samples at a mass fraction of 1 mg g-1. The detectable microplastic mass fraction is about an order of magnitude lower compared to previous studies using NIR spectroscopy without additional enrichment. To emphasize the cost-effectiveness of the method, it was implemented using some of the cheapest and most compact NIR spectrometers available. KW - Mikroplastik KW - NIR KW - Sensor KW - Kompost KW - Multivariat PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-552605 DO - https://doi.org/10.1088/1361-6501/ac5e5f VL - 33 IS - 7 SP - 1 EP - 13 PB - IOP Publishing Ltd. CY - Bristol AN - OPUS4-55260 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paul, Andrea ED - Reese, M. ED - Goldhammer, T. ED - Schmalsch, C. ED - Weber, J. ED - Bannick, C. G. T1 - Spectroscopic evidence for adsorption of natural organic matter on microplastics N2 - The interaction of microcroplastics (MP) with dissolved organic matter, especially humic substances, is of great importance in understanding the behavior of microplastics in aquatic ecosystems. Surface modification by humic substances plays an essential role in transport and interaction of MP with abiotic and biotic components. Previous studies on the interaction between MP and humic substances were largely based on a model compound, humic acid (Sigma-Aldrich). In our work, we therefore investigated the interaction of natural organic matter (NOM) sampled from a German surface water with low-density polyethylene particles (LDPE). Highpressure size exclusion chromatography (HPSEC) and UV/vis absorption and fluorescence spectroscopy were used to characterize the incubation solutions after modifications due to the presence of LDPE, and Raman spectroscopy was used to characterize the incubated microplastics. While the studies of the solutions generally showed only very small effects, Raman spectroscopic studies allowed clear evidence of the binding of humic fractions to MP. The comparison of the incubation of NOM and a lignite fulvic acid which also was tested further showed that specific signatures of the humic substances used could be detected by Raman spectroscopy. This provides an elegant opportunity to conduct broader studies on this issue in the future. KW - Humic matter KW - Raman KW - HPSEC KW - Fluorescence KW - MCR PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-574519 DO - https://doi.org/10.1002/appl.202200126 SN - 2702-4288 VL - 3 IS - 2 SP - 1 EP - 30 PB - Wiley-VCH CY - Weinheim AN - OPUS4-57451 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -