TY - CONF A1 - Pauw, Brian Richard T1 - A place for everything: traceable science using metadata from syntheses and characterisation N2 - In our laboratory, we rely heavily on automation for synthesis and measurement. Done right, automation can deliver reliable quantities of excruciatingly detailed data, produced in a reproducible and traceable way. This data then needs sorting and organising, and a good structure of metadata is a good start to long-lasting data. This metadata collection is an essential part of our “holistic experimentation”-approach. In this approach, we try to ensure that all aspects of the experimental chain are performed to a high standard, so that experimental integrity is maintained. In other words: as a failure in one of the components of the chain can make an entire experiment worthless, we must ensure each component is done (and documented) well. In this talk, we show how we 1) synthesise well-documented sample series, 2) apply a complete end-to-end X-ray scattering characterisation methodology to those samples, and 3) can link the data from the synthesis to the structural details obtained from the scattering experiments in a visual dashboard. Furthermore, we will show examples on how data can be organised in hierarchical structures in HDF5-based datafiles, and how this helps move towards more trustworthy, traceable science. About the speaker: Brian Pauw is a full-stack X-ray scattering expert with over 15 years of experience in materials science. After earning a Ph.D. in Chemical Engineering from the Technical University of Denmark in 2009, Brian advanced scattering techniques at Japan’s National Institute for Materials Science before joining BAM (Federal Institute for Materials Research and Testing) in Germany as a permanent researcher. At BAM, Brian focuses on small-angle scattering of polymers, metals, catalysts, and more – developing precise methodologies for data collection, correction, and analysis. They also lead efforts in laboratory automation, including robotic systems for reproducible sample preparation, aiming to enhance the efficiency and reliability of experimental workflows. T2 - Helmholtz Metadata Collaboration: FAIR Friday Lecture Series CY - Online meeting DA - 09.05.2025 KW - Methodology KW - X-ray scattering KW - Traceability KW - Data provenance KW - Metadata KW - Lab automation KW - Holistic science PY - 2025 AN - OPUS4-63078 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - 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 - TY - CONF A1 - Emmerling, Franziska T1 - In-situ investigations of mechanochemical reactions N2 - Mechanochemistry is a fast and efficient method applicable for the synthesis of new organic[1], metal-organic[2], and inorganic[3] compounds. The direct monitoring of milling reactions is still challenging. The underlying reaction mechanisms remain often unclear. In the last years, have established a tandem in situ approach for investigating mechanochemical reactions using time-resolved in situ XRD coupled with Raman spectroscopy.[4] Here, we present an in situ coupling of synchrotron XRD, Raman spectroscopy, and thermography allowing the observation of mechanochemical reactions in real time.[5] Information on the crystalline, molecular, and temperature state of the materials during grinding could be collected. The chemical composition of the reaction mixture was found to be directly correlated with changes in the temperature profile of the reaction. Furthermore, the presented setup allows the detection of crystalline, amorphous, eutectic as well as liquid intermediates. The resulting deeper kinetic and thermodynamic understanding of milling processes is the key for future optimization of mechanochemical syntheses. T2 - ACS Conference Boston CY - Boston, USA DA - 19.08.2018 KW - Mechanochemistry KW - In situ KW - Kinetic PY - 2018 AN - OPUS4-46989 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bremser, Wolfram T1 - The nano silver reference material BAM-N001 T2 - 1st International Conference on Reference Materials CY - Yekaterinburg, Russia DA - 2013-09-10 PY - 2013 AN - OPUS4-29035 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Klimakow, Maria T1 - Untersuchung des Kristallisationsvorganges und Bestimmung der spezifischen Oberfläche von Cu3 (BTC)2 T2 - ANAKON 2009 CY - Berlin, Germany DA - 2009-03-17 PY - 2009 AN - OPUS4-18714 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Batzdorf, Lisa T1 - Synthese und Charakterisierung von Cokristallen T2 - 7. Interdisziplinäres Doktorandenseminar CY - Berlin, Germany DA - 2013-02-24 PY - 2013 N1 - Geburtsname von Batzdorf, Lisa: Tröbs, L. - Birth name of Batzdorf, Lisa: Tröbs, L. AN - OPUS4-28286 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Müller, Axel T1 - Representative sampling of roadside soil and determination of tire wear contents by TED-GC/MS N2 - The presentation describes microplastic findings from tyre wear near roads. Both the sampling and the analysis are presented. T2 - Mikroplastik Workshop der Hochschule Zittau CY - Online meeting DA - 25.11.2021 KW - Mikroplastik KW - Reifenabrieb KW - TED-GC/MS KW - Probennahme PY - 2021 AN - OPUS4-53831 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Stroh, Julia T1 - High resolution in situ monitoring of the initial cement hydration influenced by organic admixtures N2 - Numerous admixtures are used in the building practice to customize the properties of the cement paste during application. The influences of admixtures on the course of cement hydration and formation of hydrate phases have to be considered. Polycarboxylate ether (PCE) based polymeric superplasticizers (SPs) are known to retard the setting of the cement paste. The extent of the retardation differs depending on the molecular structure of the SP. Additionally, the presence of a stabilizing agent (SA) in the cement paste has a retarding side effect on the setting. The initial cement hydration processes and the detailed mechanisms of the retardation influenced by PCEs, as well as their interactions with particular SAs, are insufficiently understood. Up to now, only the results of phenomenological studies were taken into account to describe this retardation process. A detailed structure analysis monitoring the change of the phase composition during the hydration was never applied. Both SP and SA affect the adsorption of the sulphate ions on the clinker particles, causing changes in the formation of ettringite during the initial hydration, and are therefore a crucial part of the setting process itself. Here, the initial hydration of cement influenced by the interaction of SP and SA was monitored in situ by synchrotron X-ray diffraction. The high time resolution of the measurements allowed a continuous detection of the hydrates formed. The hydration was followed from the starting point of water addition and for couple of hours afterwards. The hydration of the levitated cement pellets containing starch as SA was initialized by adding aqueous solutions of different commercial SPs. Changes in the ettringite formation were detected in comparison to the reference hydration of pure cement. T2 - Early Age Concrete: From the Research Lab to the Construction Site CY - Tomsk, Russia DA - 02.06.2015 KW - Portland cement KW - Initial hydration KW - Superplasticizer KW - Stabilizer KW - Synchrotron XRD PY - 2015 AN - OPUS4-35470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Akhmetova, Irina T1 - In situ investigation of mechanochemical syntheses of manganese phosphonates with N-containing ligands N2 - Mechanochemistry is a versatile approach for green and fast synthesis of pure substances. The exploration of the chemistry of metal phosphonates has gained considerable interest during the last decades due to their structural diversity. We synthesized manganese phosphonates in milling reactions. The mechanochemical reactions were investigated in situ to reveal the underlying mechanisms. T2 - Joint BER II and BESSY II User Meeting CY - Berlin, Germany DA - 05.12.2018 KW - Metal phosphonates KW - Mechanochemistry KW - PXRD KW - In situ KW - Thermography PY - 2018 AN - OPUS4-46999 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Herausforderungen bei der Mikroplastik-Analyse: Probennahme, Probenvorbereitung und Analyse N2 - Seit einigen Jahren wird in den Medien viel über das Thema Mikroplastik (MP) diskutiert. Dabei wird häufig von einer großen Anzahl an MP-Partikeln in allen Bereichen der Umwelt, wie dem Wasser, dem Boden, der Luft und in Biota sowie über mögliche Gefahren ausgehend von MP, berichtet. Jedoch sind diese Studien häufig nicht untereinander vergleichbar, da verschiedene Konzepte der Probennahme, der Aufbereitung und unterschiedliche Detektionsverfahren verwendet werden. Um diesen Mangel an vergleichbaren und aussagekräftigen Daten zu beheben, wird aktuell versucht, eine Harmonisierung der Mikroplastikanalytik voranzutreiben. Neue, schnellere Methoden zur MP Quantifizierung wurden entwickelt. Gleichzeitig werden neue Strategien zur Probenahme und Probenvorbereitung konzipiert, da hier die Fehlerquellen besonders große Auswirkungen auf das Ergebnis haben. In diesem Vortrag werden verschiedene Verfahren bezogen auf Probennahme, -vorbereitung und Analytik gezeigt und bezüglich ihres möglichen Ergebnisses diskutiert. T2 - 7. Workshop Technologieplattform Mikroverkapselung - Bioabbaubare Mikropartikel und Mikrokapseln CY - Bremen, Germany DA - 24.10.2019 KW - Mikroplastik KW - Analytik PY - 2019 AN - OPUS4-49395 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Haferkamp, Sebastian A1 - Emmerling, Franziska T1 - Insights into mechanochemical Knoevenagel condensations N2 - Mechanochemistry paves the way to simple, fast, and green syntheses. Despite considerable effort, there is a lack in understanding of the underlying mechanisms. In situ investigations help to understand these mechanisms, which occur during a mechanochemical reaction. Here we present a universal strategy for simultaneous real-time in situ analysis, combining X-ray diffraction, Raman spectroscopy, and thermography. The potential of of our approach is shown for diffrent model reactions. T2 - Adlershofer Forschungsforum 2019 CY - Berlin, Germany DA - 11.11.2019 KW - Mechanochemistry KW - In situ KW - Knoevenagel condensation PY - 2019 AN - OPUS4-49694 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Feiler, Torvid T1 - Optimierung der mechanischen Eigenschaften eines organischen Kristalles durch Polymorphismus für die Anwendung als flexibler Waveguide N2 - Kristalle sind in der Regel spröde und neigen dazu, bei mechanischer Belastung zu brechen. Dieses Verhalten schränkt ihre Anwendungsmöglichkeiten stark ein. Durch die Entdeckung von mechanischer Flexibilität in Kristallen wurde dieses Problem gelöst. Je nach Art der Verformung können Kristalle in plastisch (irreversibel) oder elastisch (reversibel) biegbar unterteilt werden. Die Verbindung 4-Brom-6-[(6-chlorpyridin-2-ylimino)methyl]phenol (BCMPMP) ist ein vielversprechender Kandidat für die Anwendung als flexibler Waveguide. BCMPMP hat zwei verschiedene Polymorphe mit unterschiedlichen optischen und mechanischen Eigenschaften. Die spröden Kristalle der Form I zeigen eine sehr schwache Emission bei 605 nm (λex = 425 nm; Photolumineszenz-Quantenausbeute Φ = 0,4 %). Im Gegensatz dazu zeigt die plastische Form II eine starke Emission bei 585 nm (λex = 425 nm; Φ = 8,7 %). Aufgrund der mechanischen Flexibilität wurde die Eignung der Form II als Waveguide untersucht. T2 - Tag der Chemie 2021 CY - Online meeting DA - 06.07.2021 KW - Flexible crystals KW - Polymorphism KW - Waveguide PY - 2021 AN - OPUS4-53908 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kraus, Werner T1 - Hexanuclear actinide (IV) carboxylate formed by competition between ligation and hydrolysis T2 - The 15th International Conference on X-ray Absorption Fine Structure (XAFS15) CY - Beijing, China DA - 2012-07-22 PY - 2012 AN - OPUS4-27251 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - A general strategy for the synthesis of micelle-templated mesoporous metal carbonates and metal oxides T2 - 25. Deutsches Zeolith-Tagung CY - Hamburg, Germany DA - 2013-03-06 PY - 2013 AN - OPUS4-27254 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Batzdorf, Lisa T1 - Mechanochemical Synthesis of Co and Zn Oxalate Bipyridine Structures and Reorganization at high Temperatures T2 - 3rd International Conference on Metal-Organic Frameworks and Open Framework Compounds CY - Edinburgh, Scotland DA - 2012-09-16 PY - 2012 N1 - Geburtsname von Batzdorf, Lisa: Tröbs, L. - Birth name of Batzdorf, Lisa: Tröbs, L. AN - OPUS4-27192 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Batzdorf, Lisa T1 - Mechanochemical Synthesis of Two 2D Organometallic Structures: [Co(C2o4)(4,4'-bipy)] and [Zn3(C2O4)3(4,4'-bipy)4] T2 - 2. Berliner Chemie Symposium vom JCF Berlin CY - Berlin, Germany DA - 2012-04-03 PY - 2012 N1 - Geburtsname von Batzdorf, Lisa: Tröbs, L. - Birth name of Batzdorf, Lisa: Tröbs, L. AN - OPUS4-27193 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wiesner, Yosri T1 - MIKROPLASTIK – von der Probenvorbereitung bis zur Analytik N2 - Der Vortrag beschreibt die Herausforderungen bei der Analyse von Mikroplastik inklusive Probennahme, Probenvorbereitung und Detektion. Es werden Ergebnisse aus dem BMBF-Projekt RUSEKU vorgestellt. T2 - LABO-Anwendertag CY - Online meeting DA - 23.11.2021 KW - Mikroplastik KW - TED-GC/MS KW - Mikroplastik-Analytik PY - 2021 AN - OPUS4-53829 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Mikroplastik – Ein Problem für die Menschheit? N2 - Mikroplastik findet sich in Ozeanen, Seen, Flüssen und Bächen. Es kann in unserem Boden, in der Luft und sogar in Organismen nachgewiesen werden. Jedes Jahr werden weltweit Millionen Tonnen freigesetzt. Doch wo und wie landet Mikroplastik in der Umwelt? Und wie können wir diese winzigen Partikel nachweisen? T2 - Berlin Science Week CY - Berlin, Germany DA - 01.11.2021 KW - Mikroplastik KW - TED-GC/MS PY - 2021 AN - OPUS4-53734 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Mikroplastik Referenzmaterial und erste Vergleichsuntersuchungen N2 - Hierbei geht es um die Vorstellung von ersten Möglichkeiten um Referenzmaterial für die Mikroplastik-Analytik herzustellen und die Ergebnisse erster Vergleichsversuche. T2 - EUROLAB-D Workshop: Mikroplastik in der Praxis CY - Online meeting DA - 30.11.2021 KW - Mikroplastik KW - Referenzmaterial KW - Vergleichsversuche PY - 2021 AN - OPUS4-53880 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Microplastics at BAM: TED-GC/MS and reference materials N2 - Thsi talk aims to present the activities of microplastic analysis at BAM according to TED-GC/MS and reference materials developement. T2 - Webinar BAM / University of Birmingham CY - Online meeting DA - 15.06.2021 KW - Microplastic KW - TED-GC/MS KW - Reference materials PY - 2021 AN - OPUS4-53738 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Linberg, Kevin T1 - Taking Fluorine Interaction to the Extremes using XRD and DFT Simulations N2 - This work aims to investigate the role of F-F and F-π interactions in dictating structural and mechanical properties, through a combination of X-ray powder diffraction and dispersion-corrected density functional. As no benchmarking data exist for F-dominating organic system, we first assess how different functionals affect the mechanical properties of the material. T2 - CRC 1349 Fluorine-Specific Interactions Symposium CY - Online meeting DA - 27.09.2021 KW - High Pressure KW - Fluorine Interaction KW - Hexafluorobenzen KW - Density Functional Theory PY - 2021 AN - OPUS4-53654 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Feiler, Torvid T1 - Tuning the mechanical flexibility of organic molecular crystal by polymorphism for flexible optical waveguide N2 - Crystalline molecular materials are usually brittle and are prone to break into pieces upon external mechanical force. This fragility poses challenges for their application in next-generation technologies, including sensors, synthetic tissues, and advanced opto-electronics. The recent discovery of mechanical flexibility in single crystals of molecular materials has solved this issue and enable the design of smart flexible device technologies. Plastic crystals can be deformed permanently. This behavior is based on anisotropic molecular arrangements and the existence of facile slip planes which allow a permanent motion within the lattice. In contrast, elastic crystals can be deformed, but regain the original structure when the force is removed. This phenomenon is related to energetically isotropic molecular packing. Here we report 4-bromo-6-[(6-chlorolpyridin-2-ylimino)methyl]phenol (BCMPMP) as a promising candidate for future waveguide technologies. It turns out that BCMPMP has two different polymorphs with distinct optical and mechanical properties. Form I crystallizes in the orthorhombic space group Pca21 and shows brittle behavior. This structure exhibit very weak emission at 605 nm (λex = 425 nm) together with a low fluorescence quantum yield (Φ = 0.4 %). On the other hand, form II (monoclinic space group P21/c) has a large plastic regime and a bright emission at 585 nm (λex = 425 nm; Φ = 8.7 %). Based on its improved mechanical and optical properties, form II was explored as a bendable optical waveguide. Light was successfully propagated through a straight-shaped and mechanically deformed BCMPMP crystal. Depending on the light source, active or passive waveguiding could be achieved. So BCMPMP can also be used as a flexible wavelength filter. T2 - International School of Crystallography in Erice CY - Online meeting DA - 30.05.2021 KW - Flexible crystals KW - Polymorphism KW - Waveguide PY - 2021 AN - OPUS4-53905 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meurer, Maren T1 - Optimierung der Mikroplastik Analytik mittels TED-GC/MS sowie Reduktion von falsch positiven PE Werten durch beschleunigtes Lösemittelverfahren N2 - Ein drastisch hoher Polyethylene Massenanteil wurde bei der Analytik der Umweltproben im Vergleich zu weiteren Polymeren festgestellt. Zu einem Überbefund des Polyethylene können strukturell verwandte Verbindungen wie z.B. Fette durch Signalüberlagerung führen. Mithilfe von beschleunigter Lösemittelextraktion soll die störende Komponente entfernt werden. T2 - Die Wasser 2021 CY - Online meeting DA - 10.05.2021 KW - Extraktion KW - Mikroplastik KW - ASE KW - Polyethylene PY - 2021 AN - OPUS4-53896 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Synthesizing a library of 1000+ reproducible MOFs N2 - While the synthesis of Metal-Organic Framework (MOF) particles can be as easy as adding two solutions together, reproducibly obtaining the same particles, time and time again, is a lot harder. As laboratory-independent reproducibility is a cornerstone of the scientific method, we must put effort into finding and controlling all necessary parameters to achieve this. An open-source Python/EPICS-controlled robotic platform (see picture) was adapted to systematically explore this for a 20 ml MOF synthesis of the Zeolitic Imidazole Framework-8 (ZIF-8) chemistry in methanol. Parameters that were explored included: 1) addition sequence, 2) addition speeds, 3) reaction times, 4) source chemicals, 5) stirring speeds, 6) stirring bar choice, 7) starting concentrations, and 8) workup methodologies. It was found that, by controlling these parameters, highly reproducible syntheses are obtained. Secondly, the variation of these parameters alone led to a dramatic difference in volume-weighted particle size means, which exceeds an order of magnitude as investigated by our in-house X-ray scattering instrument [1]. The syntheses are thoroughly documented in an automated fashion, and the synthesis libraries as well as analyses libraries will become available in batches soon. With this library, it will be possible to extract previously unknown correlations, and other laboratories can produce specific particles by following the exact procedures of the particles of their choice. T2 - 787. WE-Heraeus-Seminar: Accelerated Discovery of New Materials CY - Bad Honnef, Germany DA - 15.05.2023 KW - Metal organic frameworks KW - Automation KW - Lab automation KW - Robotic-supported synthesis KW - Reproducibility KW - Synthesis library KW - X-ray scattering KW - Particle size distribution PY - 2023 AN - OPUS4-57596 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - Digital Everything: X-ray Scattering and Synthesis Laboratories N2 - In our (dramatically understaffed) X-ray scattering laboratory, developing a systematic, holistic methodology 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 papers 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. 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, and 2) introducing our open, modular robotic platform for systematic sample preparation. T2 - Seminar at KIT CY - Karlsruhe, Germany DA - 17.08.2023 KW - Lab automation KW - Data stewardship KW - Scattering KW - X-ray scattering KW - Automated synthesis KW - Data pipelines PY - 2023 AN - OPUS4-58234 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard A1 - Breßler, Ingo T1 - 30.000+ datasets in an underground SciCat instance: the good, the bad, and the improvables. N2 - For the last four years, we have been running a SciCat instance to manage the projects and data in our X-ray scattering laboratory. We here report on the configuration of this SciCat instance, how it connects to the scientific workflow, and how it is integrated in the data pipeline. T2 - SciCat 2023 CY - Didcot, UK DA - 18.07.2023 KW - Scicat KW - X-ray scattering KW - Laboratory management KW - Research Data Management KW - Laboratory organization KW - RunDeck PY - 2023 AN - OPUS4-57958 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - McSAS for SAS analysis: Usage, Benefits and Potential Pitfalls N2 - This talk introduces McSAS, code for analysis of scattering patterns to extract particle size distributions. It highlights how it works, how it should be used, and when it may (not) be applied T2 - Better with Scattering workshop 2020 CY - BAM, Berlin, Germany DA - 16.03.2020 KW - Small angle scattering KW - Software KW - Analysis PY - 2020 AN - OPUS4-51019 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Smales, G. J. T1 - DACHS-MOFs Database for Automation, Characterisation, and Holistic Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS MOFs focuses on the synthesis and characterisation of metal-organic frameworks (MOFs), across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF syntheses. So far > 1200 MOF samples have been synthesised, with SAXS/WAXS data currently being collected on all samples. All results, including those from “failed” syntheses, are included in the database, as results are results and should be considered agnostic to any positive ornegative interpretations. DACHS MOFs represents the initial trial of the DACHS project, serving as a comprehensive resource for researchers aiming to optimize the synthesis and characterization of MOFs. T2 - XIX International Small Angle Scattering Conference CY - Taipei, Taiwan DA - 04.11.2024 KW - Lab automation KW - Synthesis KW - Metal organic frameworks KW - Zif-8 KW - Databases KW - Synthesis data PY - 2024 AN - OPUS4-61626 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weidner, Steffen T1 - MALDI-ToF mass spectrometry for the characterization of biobased polymers suitable for depollution N2 - In this work, bio-based polymers were synthesized and designed as polymers phases for adsorption of a variety of pollutants from aqueous solutions. The obtained adsorption results showed that the integration of bio-sourced synthons generate attractive hydrophilicity, and wettability of the resulting adsorbent phase. Such polymers phases enable stronger interactions with the organic and inorganic pollutants in water. A wide variety of different bio-based polymers structures (e. g. poly(ethersulfones, poly(etherphosphines or poly(etherpyridines) with different functional groups were successfully designed in order to adapt chemical structure to different pollutants type and matrice nature. In order to characterize and to determine the correlation between polymer structures and nature of interaction with pollutants, different analytical technics (NMR, GPC, ATG, DSC, Mass spectrometry) were successfully used. Amongst them, MALDI TOF mass spectrometry plays a superior role since this technique enables the simultaneous determination of the polymer structure, polymer end groups and molecular weight. This work focusses on the characterization of synthesized polymers. The chemical structure of the repeating unit, the nature of the end groups, as well as the molecular weight, which are all important for the specific interactions of the polymer with the pollutants were clearly determined and suggestions to improve these interactions by changing the synthetic pathway could be given. T2 - 12. Journees maghreb-europe. Matériaux et Applications aux Dispositifs et Capteurs CY - Monastir, Tunisia DA - 08.11.2022 KW - MALDI TOF MS KW - Biobased polymers KW - Depollution PY - 2022 AN - OPUS4-56237 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gründer, Klaus-Peter A1 - Geburtig, Anja T1 - Optical Methods in Single Crystal Deformation Analysis at High Temperature N2 - This poster deals with grating methods, white light intereference microscopy, a setup for HT investigation and applications. T2 - International Symposium on „Photonics in Measurement“ CY - Aachen, Germany DA - 11.06.2002 KW - Grating method KW - White light intereference microscopy KW - HT investigation PY - 2002 AN - OPUS4-35899 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schmidt, Anita A1 - Schlick-Hasper, Eva A1 - Geburtig, Anja A1 - Bethke, John T1 - Stand der BAM-Forschungsvorhaben T2 - Erfahrungsaustausch Verpackungen CY - Berlin DA - 2014-09-16 PY - 2014 AN - OPUS4-32638 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Perret, Birgit T1 - Halogen-free flame retarded Bisphenol a polycarbonate blends T2 - 10th European Symposium on Polymer Blends CY - Dresden, Germany DA - 2010-03-07 PY - 2010 AN - OPUS4-21034 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Trubiroha, Peter T1 - Beispiele für die Nutzung des Energietransports durch langwellige (thermische) Strahlung T2 - 35. Jahrestagung der Gesellschaft für Umweltsimulation (GUS) "Umwelteinflüsse erfassen, simulieren, bewerten" im Fraunhofer Institut für Chemische Technologie (ICT) CY - Pfinztal, Germany DA - 2006-03-22 PY - 2006 AN - OPUS4-12265 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wachtendorf, Volker T1 - Chancen und Grenzen der Verkürzung von Bewitterungstests durch empfindliche Chemilumineszenz-Detektion T2 - DFO Qualitätstage 2008, Appearance, Bewitterung, Korrosion, Farbe CY - Fürth, Germany DA - 2008-10-07 PY - 2008 AN - OPUS4-18710 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wachtendorf, Volker T1 - The influence of humidity and wetness on weathering results T2 - Konferenz ATCAE (Atlas Technical Conference for Accelerated Ageing and Evaluation) CY - Oxford, England DA - 2008-09-15 PY - 2008 AN - OPUS4-18000 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wachtendorf, Volker T1 - Grundsätzliches zur Verfahrensauswahl bei der künstlichen Bestrahlung und Bewitterung T2 - 37. Jahrestagung der Gesellschaft für Umweltsimulation CY - Pfinztal, Germany DA - 2008-03-12 PY - 2008 AN - OPUS4-17337 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Geburtig, Anja T1 - Prüfverfahrensauswahl T2 - Seminar Technische Akademie Wuppertal CY - Altdorf, Germany DA - 2009-04-02 PY - 2009 AN - OPUS4-19671 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Yu, Jialu T1 - Simultaneous In Situ Fe Isotope and Trace Element Analysis by LASS-MC-ICPMS / ICP-ToF-MS: Validation and Applications N2 - Iron isotopes serve as sensitive tracers of iron’s origin, transformations, and cycling in the natural system. Their sensitivity to redox changes, biological processing, and mineral–fluid interactions makes them a valuable indicators in both geochemical and biological studies. To obtain Fe isotope ratios together with trace elemental information from the same ablation volume, a laser-ablation split-stream (LASS) configuration was employed:. The laser system was coupled simultaneously to a multi-collector ICP-MS (MC-ICP-MS) and an inductively coupled plasma time-of-flight mass spectrometer (ICP-ToF-MS). The ablated aerosol is divided into two gas streams which enable for a high-precision Fe isotope measurements on the MC-ICP-MS while acquiring full quantitative multi-element datasets on ICP-ToF-MS. The performance of this approach was assessed validated using in-house gelatin reference materials and two well-characterized basaltic glass standards, BHVO-2G and BCR-2G. These materials were prepared and analysed to determine the accuracy and precision of the LASS setup. The obtained Fe isotope ratios and elemental concentrations were in a good agreement with established/published values, indicating that the method provides reliable isotope measurements alongside robust, quantitative elemental data. Following validation, the LASS technique was applied to a series of materials representing different scientific domains: the biological reference material NIST 1577c (bovine liver) and two iron-oxide materials: hematite (HMIE-NP-B01) and magnetite (MARK-NP-B01). The successful application of the method to these contrasting materials highlights the flexibility and analytical ability of the LASS approach for Fe isotope ratio measurement and elemental fingerprint in diverse geological and biological contexts. T2 - DGMS ICP-MS user meeting 2026 CY - Leipzig, Germany DA - 10.03.2026 KW - Fe isotope KW - Laser ablation KW - Geological materials KW - Split stream KW - Gelatin KW - ICP-ToF-MS KW - Elemental fingerprint PY - 2026 AN - OPUS4-65677 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bonse, Jörn T1 - LIPSS for beginners N2 - This overview introduces to the phenomenon of Laser-Induced Periodic Surface Structures (LIPSS). Starting from a phenomenological introduction, the most relevant physical effects and theoretical models are discussed. Applications and future directions are outlined. T2 - Workshop “Ultrafast Structural Transformations in Condensed Matter – Bridging Theory and Experiment” CY - Wroclaw, Poland DA - 09.02.2026 KW - Laser-induced periodic surface structures (LIPSS) KW - Coherent optical scattering KW - Nanostructures KW - Matter reorganization PY - 2026 AN - OPUS4-65672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hufgard, Josefin T1 - AIM Forward: Acoustic Ion Manipulation for Efficient Ambient-Pressure Ion Control N2 - In ion-based spectrometry techniques the possibility to manipulate ions is fundamentally important. Currently used ion optics mostly rely on magnetic or electric fields. The electromagnetic forces compete with ion diffusion and are therefore most effective under low-pressure conditions. Therefore, high-pressure ion optics pose challenges related to elevated powers and potentials as well as complex structures and electrode contamination. Acoustic Ion Manipulation (AIM) is a recently discovered phenomenon that relies on the unique interactions between gas-phase ions and acoustic waves. This presentation shows selected patterns of ion manipulation, highlights the flexibility of AIM and discusses its current limitations and potentials. T2 - DGMS Annual Conference 2026 CY - Leipzig, Germany DA - 10.03.2026 KW - Acoustic ion manipulation KW - Mass spectrometry PY - 2026 AN - OPUS4-65680 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Geburtig, Anja T1 - Discussion on Weathering Reference Materials N2 - Weathering reference materials are used to characterize the harshness of an exposure, aiming on either reproducibility of a specific exposure or on the comparability between various kinds of weathering exposure. The materials that are used as weathering reference materials differ in their sensitivities (as well as in interactions and interferences of the latter), conditioned by the different processes which lead to the respective property change. It is also essential to take into account the necessary measurement equipment for the respective property change, in order to allow timely intervention. What are the key issues on choosing a weathering reference material? What can be learned from the weathering reference materials, investigated so far? Possibilities and limitations are discussed on the basis of existing weathering reference materials. Conclusions are drawn, for establishing new weathering reference materials. T2 - 9th European Weathering Symposium CY - Basel, Switzerland DA - 18.09.2019 KW - Plastic KW - Ageing KW - Fragmentation KW - Environment KW - Digital twin PY - 2019 AN - OPUS4-49713 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -