TY - CONF A1 - Altmann, Korinna A1 - Hodoroaba, Vasile-Dan T1 - CUSP inter-laboratory comparisons N2 - In this breakout session first, an introduction is given on the planning and organisation of an inter-laboratory comparison (ILC) under the pre-standardisation plattform VAMAS within the newly formed technical working area TWA 45 Micro and Nano Plastics in the Environment. An update with the ILCs on micro- and nanoplastic performed so far is also given. In the third part, the requirements for a reference materials are presented. The needs from the different H2020 micro- and nanoplastic projects are collected and compiled in an ILC matrix for joint activities as the next steps. T2 - The European Research Cluster to Understand the Health Impact of Micro- and Nanoplastics (CUSP) Launching Event CY - Online meeting DA - 10.06.2021 KW - Microplastic KW - Nanoplastic KW - Inter-laboratory comparison KW - VAMAS KW - Reference material PY - 2021 AN - OPUS4-52808 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Mikroplastik an der BAM: TED-GC/MS und Referenzmaterialien N2 - Thema ist die Funktionsweise der TED-GC/MS als Methode für die Mikroplastik-Detektion sowie die Herstellung dazugehöriger Referenzmaterialien an der BAM T2 - 25. Kolloquium Massenspektrometrie von Polymeren CY - Online meeting DA - 17.06.2021 KW - Mikroplastik KW - TED-GC/MS KW - Referenzmaterial PY - 2021 AN - OPUS4-52835 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weidner, Steffen T1 - MALDI Mass spectrometry of synthetic polymers – making molecular elephants to fly N2 - The importance of MALDI TOF mass spectrometry for the analysis of synthetic polymers is shown and some specific issues influencing the analysis e.g. polymer mass dispersity, matrix and matrix homogeneity, nature of cations and end groups, sequence distribution are discussed by means of examples. T2 - Merck Polymer Seminar CY - Online meeting DA - 29.04.2021 KW - MALDI-ToF MS KW - Ionization KW - Desorption KW - Polymers PY - 2021 AN - OPUS4-52545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Weidner, Steffen T1 - MALDI-TOF MS in der Synthese hochmolekularer Polylaktid Homo- und Copolymere N2 - Die MALDI-TOF Massenspektrometrie stellt eine wichtige Methode zur simultanen Bestimmung von Molmassen, Molmassenverteilungen und Endgruppen von synthetischen Polymeren dar. In dem Vortrag wird gezeigt, welche zusätzlichen Informationen über die Art der Polymerisation, der Nebenreaktionen und der Topologie der gebildeten hochmolekularen Polylaktid-Homo- und Copolymere im Verlauf ihrer Synthese erhalten werden können. T2 - Bruker Anwendertreffen CY - Online meeting DA - 05.03.2021 KW - MALDI KW - Polylaktide PY - 2021 AN - OPUS4-52278 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Oliveira Guilherme Buzanich, Ana T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray spectroscopy (XAS) N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis. T2 - AfLS3 CY - Online meeting DA - 14.11.2021 KW - Dipsersive XAS KW - Mechanochemistry KW - Time-resolved KW - In situ PY - 2021 AN - OPUS4-56256 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Oliveira Guilherme Buzanich, Ana T1 - Time resolved in situ monitoring of mechanochemical transformations by X-ray spectroscopy (XAS) N2 - Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis. T2 - Denver X-ray Conference: DXC 2021 CY - Online meeting DA - 02.08.2021 KW - Dispersive XAS KW - Mechanochemistry KW - Time resolved KW - In situ PY - 2021 AN - OPUS4-56257 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - Shaken not stirred: enhancing the flavor of mechanochemistry N2 - Mechanochemistry is increasingly used for synthesizing soft matter materials including metal organic compounds and cocrystals.1 The ever-increasing interest in this method is contrasted by a limited mechanistic understanding of the mechanochemical reactivity and selectivity. Time-resolved in situ investigations of milling reactions provide direct insights in the underlying mechanisms.2-4 We recently introduced different setups enabling in situ investigation of mechanochemical reactions using synchrotron XRD combined with Raman spectroscopy and thermography. The presented setup allows the detection of crystalline, amorphous, eutectic, and liquid intermediates. Furthermore, the chemical composition of the reaction mixture was found to be directly correlated with changes in the temperature profile of the reaction. The resulting deeper kinetic and thermodynamic understanding of milling processes is the key for future optimization of mechanochemical syntheses. In this contribution, we will discuss our recent results investigating the formation of (polymorphic) cocrystals and coordination polymers.2,3,5 Our results indicate that in situ investigation of milling reactions offer a new approach to tune and optimize mechanochemical syntheses. T2 - BCA/BACG joint spring meeting CY - Online meeting DA - 29.03.2021 KW - Mechanochemistry KW - Cocrystals KW - Crystal Engineering PY - 2021 AN - OPUS4-53995 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Emmerling, Franziska T1 - Shaken not stirred: in situ investigations of mechanochemical processes N2 - Mechanochemistry has emerged as one of the most interesting synthetic protocols to produce new materials. The development of mechanochemistry as a synthetic method is supported by excellent research by many groups worldwide in a wide range of applications. The potential of mechanochemistry is also reflected in the inclusion in IUPAC’s 10 chemical innovations that will change our world’.[1] Solvent-free methodologies lead to unique chemical processes during synthesis with the consequent formation of martials with new properties.2 In this contribution, we will discuss our recent results investigating the formation of (polymorphic) cocrystals, coordination polymers, metal oxides and metal nanoparticles.[3-8] We introduced different setups enabling in situ investigation of mechanochemical reactions using synchrotron XRD combined with Raman spectroscopy and thermography. T2 - Deutsche Kristallzüchtertagung CY - Berlin, Germany DA - 06.10.2021 KW - Mechanochemistry KW - In situ real-time monitoring KW - Crystal PY - 2021 AN - OPUS4-53996 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rautenberg, Max T1 - Ca-MOFs with varying fluorination degree N2 - In current Li-ion batteries electrode materials consist typically of inorganic materials, such as LiCoO2, LiNixCoyMn1-zO2, LiFePO4, Li4Ti5O12. These materials struggle with toxicity or limited mineral resources, making them expensive. Therefore, eco-friendly, sustainable, and low-cost alternatives are researched for in recent years. A series of organic compounds were investigated as electrode materials for alkali-ion batteries. Among them organic carbonyl-based materials show reversible storage of lithium- or sodium-ions. Metal terephthalates stand out with their easy synthesis, moderate operational voltage and enhanced dissolution stability compared to other organic compounds. One degradation pathway consists of the dissolution of the electrode material by HF, formed in a side reaction by water and the fluorous electrolyte. Fluorinated metal terephthalates could offer higher dissolution stability against HF and less contamination by water due to their increased hydrophobicity. The goal of this project is the synthesis and the investigation of the formation mechanism of a series of calcium-based MOFs with increasing fluorine content. For this purpose, we aimed for the construction of calcium-based MOFs with terephthalic acid (H2-pBDC), 2-fluoro-terephthalic acid (H2-2F-pBDC), 2,3,4,5-tetrafluoroterephthalic acid (H2-pBDC-F4), isophthalic acid (H2-mBDC) and 5-fluoro-isophthalic acid (H2-5F-mBDC). T2 - SFB 1349 Wintersymposium 2022 CY - Berlin, Germany DA - 15.03.2022 KW - Mechanochemistry KW - Electrode materials KW - Fluorinated MOFs KW - In situ PXRD PY - 2022 AN - OPUS4-54478 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hahn, Marc Benjamin T1 - Functionalized biopolymers - using nature’s toolbox N2 - Biopolymers are the building blocks of life. Their properties are exploited for material functionalization on the nanoscale in a flexible manner. An overview over current research activities in the field of sensing, nanostrcuturing, radiation damage measurements on DNA and proteins and microfluidics is given. T2 - Outreach talks CY - Online meeting DA - 24.11.2022 KW - DNA KW - Proteins KW - Biopolymers KW - Sensing KW - MPL KW - Nanostructuring KW - G5P KW - Functionalization KW - Polymers PY - 2022 AN - OPUS4-56813 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hallier, Dorothea C. T1 - Inonizing Radiation Damage to Nucleoprotein Filaments . Literaturseminar N2 - Literaure Seminar on progress of doctoral thesis with title "ionizing radiation damage to nucleoprotein filaments involved in DNA recombination, replication and repair" T2 - Literaturseminar Uni Potsdam CY - Potsdam, Germany DA - 25.01.2022 KW - Radiation KW - Radiation damage KW - Nucleoprotein filaments KW - Radiation damage dosimetry KW - Gene-V Protein KW - Single-stranded DNA-binding protein KW - GVP G5P KW - Protein purification and expression KW - DNA PY - 2022 AN - OPUS4-56537 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hallier, Dorothea C. T1 - Jahresvortrag Ionizing radiation damage to nucleoprotein filaments N2 - Jahresvortrag AG Seitz Fraunhofer IZI BB Potsdam about progress of doctoral thesis with the title "Ionizing Radiation Damage to Nucleoprotein filaments involved in DNA recombination, replication and repair T2 - Jahresmeeting Fraunhofer IZI-BB Potsdam, AG Biomarkervalidierung und Assayentwicklung CY - Potsdam, Germany DA - 18.02.2022 KW - Radiation KW - Radiation damage KW - Nucleoprotein filaments KW - Single-stranded DNA-binding protein KW - Protein expression and purification KW - DNA KW - Radiation damage dosimetry PY - 2022 AN - OPUS4-56539 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dalgic, Mete-Sungur T1 - Discrimination effects in MALDI-MS of Ternary Polymer Mixtures N2 - MALDI-TOF MS is a viable method to determine molecular weights of polymers. However, quantification using MALDI-TOF MS presents specific challenges due to intensity biases caused by instrumental and sample-specific parameters. In this presentation, the influence of molar masses on MALDI-TOF mass spectra is explored. The intensities of a ternary PMMA blend with different mixture ratios are depicted in contour plots. T2 - SALSA Make and Measure 2022 CY - Berlin, Germany DA - 15.09.2022 KW - MALDI-TOF MS KW - Ternary polymer blends KW - PMMA PY - 2022 AN - OPUS4-62212 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Altmann, Korinna T1 - Stakeholder Workshop – Plastictrace WP1 N2 - The talk is about WP1 in the PlasticTrace project funded by Euromat. The projects harmonizes microplastic analysis by developing SOPs and reference materials. WP1 is responsible for material selection and preparation. All particles are homogeneity and stability checked according to ISO guide 35. T2 - Stakeholder workshop of PlasticTrace project CY - Online meeting DA - 14.12.2022 KW - Microplastic KW - Microplastics standardisation KW - Reference materials PY - 2022 AN - OPUS4-56772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - A quick intro to our NeXus format… N2 - A brief introduction is given into our data collection and organization procedure, and why we have settled on the HDF5-based NeXus format for describing experimental data. The links between NeXus and the SciCat data catalog is also provided, showing how the NeXus metadata is automatically added as searchable metadata in the catalog. T2 - NFDI NeXus Workshop CY - Online meeting DA - 17.03.2022 KW - Data management KW - Measurement organization KW - Measurement data KW - NFDI KW - FAIR KW - Open access KW - Data mining KW - Data tagging KW - Automated data tagging PY - 2022 AN - OPUS4-54823 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - The human factor: A round robin study on the variation in data analyses N2 - How much do we, the small-angle scatterers, influence the results of an investigation? What uncertainty do we add by our human diversity in thoughts and approaches, and is this significant compared to the uncertainty from the instrumental measurement factors? After our previous Round Robin on data collection, we know that many laboratories can collect reasonably consistent small-angle scattering data on easy samples. To investigate the next, human component, we compiled four existing datasets from globular (roughly spherical) scatterers, each exhibiting a common complication, and asked the participants to apply their usual methods and toolset to the quantification of the results (https://lookingatnothing.com/index.php/archives/3274). Accompanying the datasets was a modicum of accompanying information to help with the interpretation of the data, similar to what we normally receive from our collaborators. More than 30 participants reported back with volume fractions, mean sizes and size distribution widths of the particle populations in the samples, as well as information on their self-assessed level of experience and years in the field. While the Round Robin is still underway (until the 25th of April, 2022), the initial results already show significant spread in the results. Some of these are due to the variety in interpretation of the meaning of the requested parameters, as well as simple human errors, both of which are easy to correct for. Nevertheless, even after correcting for these differences in understanding, a significant spread remains. This highlights an urgent challenge to our community: how can we better help ourselves and our colleagues obtain more reliable results, how could we take the human factor out of the equation, so to speak? In this talk, we will introduce the four datasets, their origins and challenges. Hot off the press, we will summarize the anonymized, quantified results of the Data Analysis Round Robin. (Incidentally, we will also see if a correlation exists between experience and proximity of the result to the median). Lastly, potential avenues for improving our field will be offered based on the findings, ranging from low-effort yet somehow controversial improvements, to high-effort foundational considerations. T2 - International Small-Angle Scattering Conference (SAS2022) CY - Campinas, Brazil DA - 11.09.2022 KW - Round robin KW - Data analysis KW - Small angle scattering KW - Nanomaterials KW - MOUSE KW - Interlaboratory comparison KW - Intercomparability KW - Reliability KW - Data analysis round robin KW - Large number of participants PY - 2022 AN - OPUS4-55762 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauw, Brian Richard T1 - X-ray scattering for nanostructure quantification, and the quest for the perfect experiment N2 - Measuring an X-ray scattering pattern is relatively easy, but measuring a steady stream of high-quality, useful patterns requires significant effort and good laboratory organization. Such laboratory organization can help address the reproducibility crisis in science, and easily multiply the scientific output of a laboratory, while greatly elevating the quality of the measurements. We have demonstrated this for small- and wide-angle X-ray scattering in the MOUSE project (Methodology Optimization for Ultrafine Structure Exploration). With the MOUSE, we have combined a comprehensive and highly automated laboratory workflow with a heavily modified X-ray scattering instrument. This combination allows us to collect fully traceable scattering data, within a well-documented, FAIR-compliant data flow (akin to what is found at the more automated synchrotron beamlines). With two full-time researchers, our lab collects and interprets thousands of datasets, on hundreds of samples, for dozens of projects per year, supporting many users along the entire process from sample selection and preparation, to the analysis of the resulting data. This talk will briefly introduce the foundations of X-ray scattering, present the MOUSE project, and will highlight the proven utility of the methodology for materials science. Upgrades to the methodology will also be discussed, as well as possible avenues for transferring this holistic methodology to other instruments T2 - SNI 2022 CY - Berlin, Germany DA - 05.09.2022 KW - Methodology KW - X-ray scattering KW - Laboratory management KW - Instrumentation utilization KW - MOUSE KW - SAXS KW - WAXS KW - Automation PY - 2022 AN - OPUS4-55760 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - Reliable, and reproducible physico-chemical data of nanomaterials for risk assessment N2 - Nanoforms with at least one dimension below 100 nm have an important part to play in more and more areas of our daily life. Therefore, risk assessment of these materials is becoming increasingly important. In this context, the European Chemical Agency (ECHA) considered eleven physico-chemical properties as relevant, of which the following six are essential for the registration: chemical composition, crystallinity, particle size, particle shape, surface chemistry and specific surface area. Four of these priority properties can be obtained with electron microscopy and surface analytics like XPS and ToF-SIMS. The reliability of this data must be ensured, especially for their use for grouping and read across approaches. On the other hand, the “reproducibility” crisis has revealed major shortcomings in the reliability of published data. In a case study, we show how the quality of the data can be ensured by using existing standards and protocols of each step in the workflow of sample characterization. As exemplary samples, two Al-coated TiO2 samples as nanopowders were selected from the JRC repository, capped either with a hydrophilic or a hydrophobic organic ultrathin shell. SEM results provided the size and shape of the nanoparticles, a first overview about the composition was obtained with EDS. XPS and ToF-SIMS supplied the surface chemistry, especially information about the shell and the coating of the particles. Standards and protocols of all steps of the analytical workflow including preparation and data reduction are discussed regarding reliable and reproducible data. Additionally, uncertainties for the different steps are specified. Only such a detailed description of all these factors allows a comprehensive physico-chemical characterization of the nanoparticles with understanding of their potential risk assessment. T2 - ECASIA 2022 CY - Limerick, Ireland DA - 29.05.2022 KW - Reference data KW - Risk assessment KW - Nanomaterials KW - Titania PY - 2022 AN - OPUS4-54961 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - VAMAS ILC of functionalized Graphene by XPS and Graphene Oxide by SEM N2 - The ideas of the planned VAMAS interlaboratory comparisons of functionalized graphene and graphene oxide are presented. T2 - Stakeholder Advisory Board ISO-G-Scope CY - Online meeting DA - 12.01.2022 KW - Graphene KW - XPS KW - SEM PY - 2022 AN - OPUS4-54375 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - VAMAS-Enabling international standardisation for increasing the take up of Emerging Materials N2 - VAMAS (Versailles Project on Advanced Materials and Standards) supports world trade in products dependent on advanced materials technologies by providing technical basis for harmonized measurements, testing, specification, reference materials and standards. The major tools for fulfilling this task are interlaboratory comparisons (ILC). The organisation structure of VAMAS is presented. It is discussed, how a new technical activity can initiate. T2 - DIN NA062-08-16 Oberflächenanalytik Frühjahrstreffen CY - Berlin, Germany DA - 11.05.2022 KW - Advanced Materials KW - Standards KW - Interlaboratory Comparisons PY - 2022 AN - OPUS4-54831 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -