TY - CONF A1 - Pauw, Brian Richard T1 - Glimpses of the Future : Advancing X-ray Scattering in an Automated Materials Research Laboratory N2 - In our (dramatically understaffed) X-ray scattering laboratory, developing a systematic, holistic methodology1 let us provide scattering and diffraction information for more than 2100 samples for 200+ projects led by 120+ collaborators. Combined with automated data correction pipelines, and our analysis and simulation software, this led to more than 40 papers2 in the last 5 years with just over 2 full-time staff members. This year, our new, modular synthesis platform has made more than 1000 additional samples for us to analyse and catalogue. By virtue of the automation, the synthesis of these samples is automatically documented in excruciating detail, preparing them for upload and exploitation in large-scale materials databases. Having developed these proof-of-concepts, we find that materials research itself is changed dramatically by automating dull tasks in a laboratory. This talk is intended to spark ideas and invite collaborations by providing an overview of: 1) the current improvements in our wide-range X-ray scattering laboratory methodology, 2) Introduce some of our open-source analysis and simulation software, touching on scattering, diffraction and PDF, and 3) introducing our open, modular robotic platform for systematic sample preparation. Finally, the remaining bottlenecks and points of attention across all three are highlighted. T2 - Swiss Society for Crystallography (SSCr) annual meeting CY - Zurich, Switzerland DA - 08.09.2023 KW - Lab automation KW - Fourier transforms KW - X-ray scattering KW - Robotic synthesis KW - Data stewardship KW - Holistic experimental procedures KW - MOUSE KW - Metal-organic frameworks KW - High-throughput measurements PY - 2023 AN - OPUS4-58237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Leiterer, Jork T1 - The use of an acoustic levitator as a contactless sample holder N2 - Many of today’s analytical problems are characterized through small sample volumes and can only be solved through a corresponding miniaturisation of the analytical instrumentation. Handling of small sample volumes is inherently difficult due analytical blanks, contamination, and sorption processes on the walls of the containers which are employed during analytical procedures. Acoustic levitation is a powerful tool for contact-less sample handling of solid, liquid, and certain gaseous samples. In addition, levitation permits a chemical pre-treatment such as enrichment, extraction, and derivatisation as well as combination with other analytical techniques such as optical spectroscopy or mass spectrometry. Acoustically levitated liquid and solid samples are typically in a range between 0.005 - 5 µl (diameter 0.2 - 2 mm respectively) and are suspended in a gaseous environment by a stationary ultrasonic field (nodes of a standing wave). Acoustic levitation avoids sample contamination and sorption processes by container walls, but suffers from evaporation and loss of solvents. To balance evaporation and condensation on levitated drops during the experiments, techniques of contact-less droplet size monitoring and solvent and reagent supply have been developed. The advantages of acoustic levitation are demonstrated for on line analysis of crystallisation in a levitated droplet. The evaporation and formation of crystals is observed via time-resolved X-ray diffraction at BESSY. In this way, a high-throughput analysis for polymorphs seems feasible. Future work will be devoted to adaptation of a binding assay with receptors, antibodies or enzymes. Special emphasis will be on homogeneous immunoassays such as fluorescence polarisation immunoassays (FPIA) or apo-enzyme reactivation immunoassay systems (ARIS) combined with laser-induced fluorescence (LIF). This offers the opportunity to study the kinetics of the bio-macromolecule interactions without any wall effects which can have a significant influence on the apparent performance of bioanalytical assays. T2 - 1. Jahrestagung des Arbeitskreises Prozessanalytik der GDCh, BAM CY - Berlin, Germany DA - 2006-03-20 PY - 2006 AN - OPUS4-12250 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - Structures of ligands for the construction of metal-organic compounds: substitudes di-aryl-1,3,4-oxadiazole derivatives with pyridyl- and aminophenyl-substitution T2 - Tag der Chemie, Technical University Berlin CY - Berlin, Germany DA - 2006-06-26 PY - 2006 AN - OPUS4-12402 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - Polyoxotungstates as potent inhibitors for ecto-nucleotidases T2 - 37th International Conference of Coordination Chemistry CY - Cape Town, South Africa DA - 2006-08-13 PY - 2006 AN - OPUS4-12401 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Köppen, Robert T1 - Hexabromcyclododecan: Absolute Konfigurationen und thermische Umwandlung T2 - Jahrestagung 2006 der GDCh-Fachgruppe "Umweltchemie und Ökotoxikologie" CY - Halle (Saale), Germany DA - 2006-10-04 PY - 2006 AN - OPUS4-12426 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Köppen, Robert T1 - HBCD enantiomers: absolute configurations and thermal rearrangement T2 - 26th International Symposium on Halogenated Persistentorganic Pollotants Dioxin 2006 CY - Oslo, Norway DA - 2006-08-21 PY - 2006 AN - OPUS4-12493 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hodoroaba, Vasile-Dan T1 - Correlative physic-chemical analysis of advanced materials and BAM’s green and zero-related advanced materials activities – Benefits and challenges by examples N2 - Following points are presented: - Nanomaterials BAM, as research materials & CRMs, incl pre-standardization, automated analysis & automated synthesis - 2D-materials BAM HEurope ACCORDs approach Green Deal inspired correlative imaging based characterisation for safety profiling of 2D materials - Sample preparation @BAM , inclusion to standards - Thin Films @BAM as Reference Material Candidates, i) mesoporous, ii) HEA - Substitutional,Transition Me oxides as electrocatalysts a project @BAM - Sustainable mechanochemical reaction engineering projects @BAM. T2 - VAMAS Workshop Advanced Materials Challenges and Standardization Needs for a Greener World CY - Rio de Janeiro, Brazil DA - 25.09.2024 KW - Nanomaterials KW - Advanced materials KW - 2D materials KW - Sample preparation KW - Thin films KW - Reference materials KW - Safety KW - Automation PY - 2024 AN - OPUS4-61404 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Round Table for Expert Stakeholders​ - The Transfer of Research into Policy and Regulation N2 - This talk gives an overwiew about the material and physico chemical characterisation of materials developed for the EU founded project PlasticsFate. Particles in 1st and 2nd sample set are presented next to their characterisatin and documentation in data sheets. Some materials are prepared for reference material and used in an interlaboratory comparison. Results are briefly discussed. T2 - Stakeholder Workshop PlasticsFate CY - Bühl, Germany DA - 17.09.2024 KW - Microplastics KW - Reference materials KW - Polymer 3R KW - Interlaboratory comparison PY - 2024 AN - OPUS4-61088 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gugin, Nikita T1 - Advancing Industrial Mechanochemistry: Real-Time Insights for Sustainable, Solvent-Free Manufacturing N2 - Reactive extrusion has emerged as a continuous approach for conducting mechanochemical reactions on a large scale. However, the use of this method under industrial conditions is hindered by limited understanding. In this study, we unveil the black box of reactive extrusion by employing energy-dispersive X-ray diffraction (EDXRD) to collect time- and spatially resolved in situ data. Our findings demonstrate the EDXRD method’s applicability to a range of chemical transformations and conditions associated with reactive extrusion. T2 - Chemie-Kolloquium & IfC Science Day CY - Berlin, Germany DA - 22.01.2025 KW - Mechanochemistry PY - 2025 AN - OPUS4-63801 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - In situ investigations of mechanochemical processes N2 - Overview of the present BAM activities in the field of in situ analytics of mechanochemical processes. Recent results for the synthesis of metal organic frameworks and cocrystals are presented. T2 - HZB Seminar CY - Online meeting DA - 21.01.2022 KW - Mechanochemistry KW - In situ real-time monitoring PY - 2022 AN - OPUS4-54296 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Alić Stolar, Jasna T1 - Harnessing mechanochemistry to tackle PFAS pollution N2 - We are currently facing one of the most serious environmental crises in human history – the widespread pollution caused by PFAS. PFAS stands for per- and polyfluoroalkyl substances, which are toxic, persistent, highly mobile, and bioaccumulative compounds, often referred to as 'forever chemicals'. For over 70 years, they have been used to make products resistant to water, heat, and stains, but the cost of damaging ecosystems and harming human health was revealed far too late. As of 2023, there were more than 23,000 confirmed PFAS contamination sites in Europe alone, with at least an equal number of presumptive contamination sites due to historical and current industrial activities.1 Public concern has pushed regulatory bodies to restrict the production of the most common PFAS, but with over 10,000 PFAS compounds and existing contamination, the problem remains largely unresolved. State-of-the-art remediation strategies rely on energy-intensive incineration, which releases greenhouse gases and smaller, volatile PFAS derivatives.2 Here, we present a fast, simple, and sustainable method for the complete degradation of PFAS, leveraging mechanochemistry3 to break down the persistent carbon-fluorine bonds. Our findings indicate that liquid-assisted grinding conditions accelerate the degradation of perfluorooctanoic acid compared to neat grinding conditions, resulting in a significant reduction in energy consumption. Moreover, the fluoride released during the process binds to inorganic additives, allowing fluorine recovery as crystalline salts and preventing the formation of secondary toxic waste. The method has strong potential for scaling up and offers a green and viable solution for real-world application in PFAS decontamination. T2 - Tag der Chemie CY - Berlin, Germany DA - 03.07.2025 KW - Mechanochemistry KW - Forever chemicals KW - Sustainability PY - 2025 AN - OPUS4-63972 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wurzler, Nina T1 - Chemical interaction mechanisms of metal reducing bacteria on steel surfaces N2 - Metal reducing bacteria (MRB) are able to utilize various materials such as iron, uranium and manganese as well as many organic compounds as electron acceptors. This process leads to the conversion of Fe(III) containing passive film species to soluble Fe(II) oxides and hydroxides. The reduction process triggers the acceleration of general and local corrosion processes. Electron transfer mechanisms are not yet fully understood. In literature it has been controversially discussed to which extend secreted electron shuttles contribute to the extracellular electron transfer (EET). To understand the chemical and electrochemical interaction mechanisms of MRB with steel surfaces this project combines a variety of in-situ techniques. The changes in oxide chemistry on Fe/steel surfaces in the presence of biomolecules and MRB are under investigation using a newly designed electrochemical cell for in situ XANES (x-ray absorption near edge structure) spectroscopy. Electrochemical quartz crystal microbalance (eQCM) studies support the spectroscopic investigations to gain information about the kinetics of attachment processes and changes in biofilm viscosity. The biofilm structure and composition as well as cell viability are investigated by complementary ex situ spectroscopic and microscopic analysis. Combining spectroscopic techniques and eQCM data with electrochemical measurements, biological processes and the resulting degradation of steel surfaces can be observed in a non-destructive manner. Selecting model systems and a defined biological medium allows the determination of individual effects of diverse surface and environmental parameters. The fundamental understanding of bacterial attachment mechanisms and initial steps of biofilm formation will contribute to the development of new antifouling strategies. T2 - 12th International Conference on Biology and Synchrotron Radiation CY - San Francisco, CA, USA DA - 21.08.2016 KW - Microbially influenced corrosion (MIC) KW - Metal reducing bacteria KW - XANES KW - Electrochemistry PY - 2016 AN - OPUS4-37238 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -