TY - CONF A1 - Smales, Glen Jacob T1 - Structural characterization using small-angle X-ray scattering (SAXS) N2 - A short introduction to small-angle scattering, followed by a "choose your own adventure" style of talk on the characterisation of different materials using SAXS/WAXS. T2 - Operando workshop “SAXS and Ptychography” at the Paul Scherrer Institut CY - Villigen, Switzerland DA - 17.08.2021 KW - SAXS KW - Materials KW - Characterisation PY - 2021 AN - OPUS4-53188 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Pauli, Jutta A1 - Würth, Christian A1 - Güttler, Arne A1 - Resch-Genger, Ute T1 - Reliable Determination of the Signal-Relevant Spectroscopic Key Characteristics of Luminescent Reporters and Optical Probes for Imaging in the vis/NIR/SWIR N2 - Introduction. Comparing different emitter classes and rationally designing the next generation of molecular and nanoscale probes for bioimaging applications require accurate and quantitative methods for the measurement of the key parameter photoluminescence quantum yield f.1 f equals the number of emitted per number of absorbed photons. This is particularly relevant for increasingly used fluorescence imaging in the short wave-infrared region (SWIR) ≥ 900 nm providing deeper penetration depths, a better image resolution, and an improved signal-to-noise or tumor-to-background ratio.2, 3 However, spectroscopic measurements in the SWIR are more challenging and require specific calibrations and standards. T2 - EMIM 2021 CY - Göttingen, Germany DA - 24.08.2021 KW - Fluorescence KW - Optical probe KW - Dye KW - Photophysics KW - Quantum yield KW - Mechanism KW - NIR KW - SWIR KW - Imaging KW - Reference material KW - Reliability KW - Nano KW - Particle KW - Method KW - Quality assurance PY - 2021 AN - OPUS4-53233 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Koch, Claudia A1 - Asna Ashari, Parsa A1 - Mirtsch, Mona A1 - Blind, K. A1 - Castka, P. T1 - Impact of the COVID-19 Pandemic on Conformity Assessment: Insights from a Multinational Study N2 - The COVID-19 pandemic has posed new and manifold challenges to organizations and their operations worldwide. Conformity assessment bodies (CABs), such as testing or medical laboratories, certification, and inspection bodies, are also affected by the associated disruptions. Their situation in this crisis is highly relevant, as CABs are essential pillars of the quality infrastructure: Their activities ensure that products and services meet requirements as defined in standards and regulations, thereby contributing to their safety and reliability. Considering the roles and functions of CABs in economy, health, and innovation, the question arises how CABs and their operations were affected by the pandemic and how they responded. To this end, we present the results of an international survey of 986 CABs of all types in Germany, the UK, Italy, and New Zealand. Overall, CABs reported on average a negative development of demand during the pandemic, facing restrictions in all countries. In addition, the pandemic had overall negative impact on the CABs’ investment and innovation activities. However, investments in digital infrastructure were increased as countermeasure, with CABs reporting an increased need for digitalization. Resources relevant to organizational resilience were available to different extents, affecting the speed of response to the challenges of the pandemic. The paper highlights and discusses results from in-depth analyses, which are relevant for policy makers and industry alike. T2 - 25th EURAS Annual Standardisation Conference – Standardisation and Innovation CY - Online meeting DA - 06.09.2021 KW - Conformity assessment KW - Resilience KW - Digitalization KW - Crisis KW - Pandemic KW - Corona KW - COVID-19 KW - Laboratory KW - Quality infrastructure PY - 2021 AN - OPUS4-53225 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gehrenkemper, Lennart A1 - Simon, Fabian A1 - von der Au, Marcus A1 - Meermann, Björn T1 - Finding the most suitable PFASs sum parameter method - A Comparison of AOF vs. EOF and CIC vs. HR-CS-GFMAS N2 - Since it is unknown for many applications, which PFASs are used and how they enter the environment, target analysis-based methods reach their limits. The two most frequently used sum parameters are the adsorbable organically bound fluorine (AOF) and the extractable organically bound fluorine (EOF). Both can be quantified using either combustion ion chromatography (CIC) or high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS). Here we provide an insight on the advantageous and disadvantageous of both sum parameters and both detection methods. Our study is based on the analysis of surface water samples. Next to total fluorine (TF) analysis, AOF and EOF were determined as well as CIC and HR-CS-GFMAS are compared and results are comparatively discussed. Fluorine mass balancing revealed that, the AOF/TF proportion was higher than the EOF/TF proportion. The AOF made up 0.14–0.81% of TF and the EOF 0.04–0.28% of TF. Although, organically bound fluorine represents only a small portion of TF, PFASs are of worldwide concern, because of their extreme persistence and their bioaccumulation potential. The EOF-HR-CS-GFMAS method turned out to be more precise and sensitive than the AOF-CIC method and is a promising tool for future monitoring studies/routine analysis of PFASs in the environment. T2 - Emerging Contaminants in the Environment Conference CY - Online meeting DA - 27.04.2021 KW - High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) KW - Combustion ion chromatography (CIC) KW - Per- and polyfluorinated alkyl substances (PFASs) KW - Adsorbable organically bound fluorine (AOF) KW - Extractable organically bound fluorine (EOF) PY - 2021 AN - OPUS4-53228 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abram, Sarah-Luise A1 - Mrkwitschka, Paul A1 - Prinz, Carsten A1 - Rühle, Bastian A1 - Haase, Oskar A1 - Kuchenbecker, Petra A1 - Löhmann, Oliver A1 - Hodoroaba, Vasile-Dan A1 - Bresch, Harald A1 - Resch-Genger, Ute T1 - Iron oxide nanoparticles as a reference material candidate for particle size measurements N2 - This poster presentation covers the development of iron oxide nanoparticles as reference material candidate in the context of the project "Nanoplattform". T2 - EMRS Spring Meeting CY - Online meeting DA - 31.05.2021 KW - Iron oxide nanoparticles KW - Reference material KW - Particle size KW - Transmission electron microscopy KW - Small angle x-ray scattering PY - 2021 AN - OPUS4-52773 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Abram, Sarah-Luise A1 - Mrkwitschka, Paul A1 - Prinz, Carsten A1 - Rühle, Bastian A1 - Kuchenbecker, Petra A1 - Hodoroaba, Vasile-Dan A1 - Resch-Genger, Ute T1 - Monodisperse iron oxide nanoparticles as reference material candidate for particle size measurements N2 - In order to utilize and rationally design materials at the nanoscale the reliable characterization of their physico-chemical properties is highly important, especially with respect to the assessment of their environmental or biological impact. Furthermore, the European Commission’s REACH Regulations require the registration of nanomaterials traded in quantities of at least 1 ton. Powders or dispersions where 50% (number distribution) of the constituent particles have sizes ≤ 100 nm in at least one dimension are defined as nanomaterials. This creates a need for industrial manufacturers and research or analytical service facilities to reliably characterize potential nanomaterials. Currently, BAM is developing reference nanoparticles, which shall expand the scarce list of worldwide available nano reference materials certified for particle size distribution and will also target other key parameters like shape, structure, porosity or functional properties. In this respect, materials like iron oxide or titanium dioxide are considered as candidates to complement the already available silica, Au, Ag, and polystyrene reference nanoparticles. The thermal decomposition of iron oleate precursors in high boiling organic solvents can provide large quantities of iron oxide nanoparticles that can be varied in size and shape.[1, 2] The presence of oleic acid or other hydrophobic ligands as capping agents ensures stable dispersion in nonpolar solvents. Such monodisperse, spherical particles were synthesized at BAM and pre-characterized by electron microscopy (TEM, SEM including the transmission mode STEM-in-SEM) and dynamic light scattering comparing cumulants analysis and frequency power spectrum. 1. REACH regulations and nanosafety concerns create a strong need for nano reference materials with diverse properties. 2. Iron oxide nanoparticles are under development as new candidate reference material at BAM. 3. Narrow particle size distribution confirmed by light scattering and electron microscopy. T2 - Nanosafety 2020 CY - Online meeting DA - 05.10.2020 KW - Iron oxide nanoparticles KW - Reference material KW - Particle size KW - Electron microscopy KW - Nanoplattform PY - 2020 AN - OPUS4-52774 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CHAP A1 - Traub, Heike ED - Milacic, R. ED - Scancar, J. ED - Goenaga-Infante, H. ED - Vidmar, J. T1 - Imaging of metal-based nanoparticles in tissue and cell samples by laser ablation inductively coupled plasma mass spectrometry N2 - Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) is nowadays a versatile and powerful analytical method for direct solid sample analysis. The applicability has been demonstrated for a wide variety of samples covering hard and soft materials. In an imaging mode the technique provides quantitative information on the elemental distribution within a sample. LA-ICP-MS imaging is of particular interest in biomedical research as the distribution of an element gives valuable insight on uptake and distribution of essential and toxic trace elements, administered contrast agents as well es nanoparticles. LA-ICP-MS is therefore a powerful complement to other imaging techniques. Recent instrumental improvements, especially in sample chamber design, have contributed to better sensitivity and spatial resolution enabling subcellular imaging. The book chapter provides a comprehensive overview about spatially resolved localisation and quantification of various nanoparticles in cells and tissue thin sections by LA-ICP-MS. Furthermore, different sample preparation strategies and internal standardisation and calibration approaches for bioimaging by LA-ICP-MS are summarized and discussed. Metal-containing nanomaterials are used in numerous fields ranging from industrial applications to nanomedicine. Several studies have demonstrated that the physicochemical properties of nanoparticles have an impact on their pharmacokinetics, transfer and clearance. The high sensitivity and multielement capability of LA-ICP-MS enables the elucidation of interactions between tissue components and nanomaterials used as imaging probes or drug carriers. Potential toxic effects are investigated as well. Thus, LA imaging significantly supports the clinical translation of safe and efficient nanoparticles for diagnostic and therapeutic purposes. KW - Laser ablation KW - ICP-MS KW - Imaging KW - Nanoparticle KW - Nanomaterial KW - Tissue KW - Cell PY - 2021 SN - 978-0-323-85305-7 SN - 0166-526X VL - 93 SP - 173 EP - 240 PB - Elsevier CY - Amsterdam ET - 1 AN - OPUS4-52775 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Koch, Claudia A1 - Asna Ashari, Parsa A1 - Mirtsch, Mona A1 - Blind, K. A1 - Castka, P. T1 - National Quality Infrastructures in the COVID-19 Pandemic: Insights from a Multinational Study on Impacts and Institutional Responses of Conformity Assessment Bodies N2 - The COVID-19 pandemic has posed new and manifold challenges to organizations and their operations worldwide. Conformity assessment bodies (CABs), such as testing or medical laboratories, certification, and inspection bodies, which are a key part of the Quality Infrastructure and constitute central pillars for trade, health and the innovation system, are also affected by the associated disruptions. However, their services matter more than ever. We present the results of an international survey of 986 CABs of all types in Germany, the UK, Italy, and New Zealand to highlight and compare economic impacts, the resilience of this industry as well as issues of digitalization. T2 - Eu-SPRI 2021 Conference: Science and innovation - an uneasy relationship? CY - Online meeting DA - 09.06.2021 KW - Konformitätsbewertung KW - COVID-19 KW - Corona KW - Qualitätsinfrastruktur KW - Conformity Assessment KW - Certification KW - Testing KW - Resilience PY - 2021 AN - OPUS4-52789 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Evsevleev, Sergei A1 - Mishurova, Tatiana A1 - Khrapov, D. A1 - Paveleva, A. A1 - Meinel, Dietmar A1 - Surmenev, R. A1 - Surmeneva, M. A1 - Koptyug, A. A1 - Bruno, Giovanni T1 - X-ray Computed Tomography Procedures to Quantitatively Characterize the Morphological Features of Triply Periodic Minimal Surface Structures N2 - Additively manufactured (AM) metallic sheet-based Triply Periodic Minimal Surface Structures (TPMSS) meet several requirements in both bio-medical and engineering fields: Tunable mechanical properties, low sensitivity to manufacturing defects, mechanical stability, and high energy absorption. However, they also present some challenges related to quality control, which can prevent their successful application. In fact, the optimization of the AM process is impossible without considering structural characteristics as manufacturing accuracy, internal defects, as well as surface topography and roughness. In this study, the quantitative non-destructive analysis of TPMSS manufactured from Ti-6Al-4V alloy by electron beam melting was performed by means of X-ray computed tomography (XCT). Several advanced image analysis workflows are presented to evaluate the effect of build orientation on wall thicknesses distribution, wall degradation, and surface roughness reduction due to the chemical etching of TPMSS. It is shown that the manufacturing accuracy differs for the structural elements printed parallel and orthogonal to the manufactured layers. Different strategies for chemical etching show different powder removal capabilities and both lead to the loss of material and hence the gradient of the wall thickness. This affects the mechanical performance under compression by reduction of the yield stress. The positive effect of the chemical etching is the reduction of the surface roughness, which can potentially improve the fatigue properties of the components. Finally, XCT was used to correlate the amount of retained powder with the pore size of the functionally graded TPMSS, which can further improve the manufacturing process. KW - Metamaterials KW - Functionally graded porous structure KW - Triply periodic minimal surface structures KW - Roughness analysis KW - Powder removal KW - Deep learning segmentation PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528142 DO - https://doi.org/10.3390/ma14113002 VL - 14 IS - 11 SP - 3002 PB - MDPI AN - OPUS4-52814 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hoffmann, A. A1 - Lischeid, G. A1 - Koch, Matthias A1 - Lentzsch, P. A1 - Müller, M.E.H. T1 - Priority effects influence the production of mycotoxins of Fusarium and Alternaria N2 - Mycotoxigenic fungal pathogens Fusarium and Alternaria are a leading cause of loss in cereal production. On wheat-ears, they are confronted by bacterial antagonists such as pseudomonads. Studies on these groups’ interactions often neglect the infection process’s temporal aspects and the associated priority effects. In the present study, the focus was on how the first colonizer affects the subsequent ones. In a climate chamber experiment, wheat-ears were successively inoculated with two different strains (Alternaria tenuissima At625, Fusarium graminearum Fg23, or Pseudomonas simiae Ps9). Over three weeks, microbial abundances and mycotoxin concentrations were analyzed and visualized via Self Organizing Maps with Sammon Mapping (SOM-SM). All three strains revealed different characteristics and strategies to deal with co-inoculation: Fg23, as the first colonizer, suppressed the establishment of At625 and Ps9. Nevertheless, primary inoculation of At625 reduced all of the Fusarium toxins and stopped Ps9 from establishing. Ps9 showed priority effects in delaying and blocking the production of the fungal mycotoxins. The SOM-SM analysis visualized the competitive strengths: Fg23 ranked first, At625 second, Ps9 third. Our findings of species-specific priority effects in a natural environment and the role of the mycotoxins involved are relevant for developing biocontrol strategies. T2 - 42. Mycotoxin Workshop CY - Online meeting DA - 30.05.2021 KW - Microbe interactions KW - Antagonists KW - Mycotoxins PY - 2021 AN - OPUS4-52815 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lugovtsova, Yevgeniya A1 - Bulling, Jannis A1 - Mesnil, O. A1 - Prager, Jens A1 - Gohlke, Dirk A1 - Boller, C. T1 - Damage quantification in an aluminium-CFRP composite structure using guided wave wavenumber mapping: Comparison of instantaneous and local wavenumber analyses N2 - Composite-overwrapped pressure vessels (COPV) are increasingly used in the transportation industry due to their high strength to mass ratio. Throughout the years, various designs were developed and found their applications. Currently, there are five designs, which can be subdivided into two main categories - with a load-sharing metal liner and with a non-load-sharing plastic liner. The main damage mechanism defining the lifetime of the first type is fatigue of the metal liner, whereas for the second type it is fatigue of the composite overwrap. Nevertheless, one damage type which may drastically reduce the lifetime of COPV is impact-induced damage. Therefore, this barely visible damage needs to be assessed in a non-destructive way to decide whether the pressure vessel can be further used or has to be put out of service. One of the possible methods is based on ultrasonic waves. In this contribution, both conventional ultrasonic testing (UT) by high-frequency bulk waves and wavenumber mapping by low frequency guided waves are used to evaluate impact damage. Wavenumber mapping techniques are first benchmarked on a simulated aluminium panel then applied to experimental measurements acquired on a delaminated aluminium-CFRP composite plate which corresponds to a structure of COPV with a load-sharing metal liner. The analysis of experimental data obtained from measurements of guided waves propagating in an aluminium-CFRP composite plate with impact-induced damage is performed. All approaches show similar performance in terms of quantification of damage size and depths while being applied to numerical data. The approaches used on the experimental data deliver an accurate estimate of the in-plane size of the large delamination at the aluminium-CFRP interface but only a rough estimate of its depth. Moreover, none of the wavenumber mapping techniques used in the study can quantify every delamination between CFRP plies caused by the impact, which is the case for conventional UT. This may be solved by using higher frequencies (shorter wavelengths) or more advanced signal processing techniques. All in all, it can be concluded that imaging of complex impact damage in fibre-reinforced composites based on wavenumber mapping is not straightforward and stays a challenging task. KW - Ultrasonic guided waves KW - Instantaneous wavenumber analysis KW - Local wavenumber analysis KW - Signal processing PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528203 DO - https://doi.org/10.1016/j.ndteint.2021.102472 SN - 0963-8695 VL - 122 SP - 2472 PB - Elsevier Ltd. CY - Amsterdam, Netherlands AN - OPUS4-52820 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tschöke, K. A1 - Müller, I. A1 - Memmolo, V. A1 - Moix-Bonet, M. A1 - Moll, J. A1 - Lugovtsova, Yevgeniya A1 - Golub, M. A1 - Sridaran Venkat, R. A1 - Schubert, L. T1 - Feasibility of Model-Assisted Probability of Detection Principles for Structural Health Monitoring Systems based on Guided Waves for Fibre-Reinforced Composites N2 - In many industrial sectors, Structural Health Monitoring (SHM) is considered as an addition to Non-Destructive Testing (NDT) that can reduce maintenance effort during lifetime of a technical facility, structural component or vehicle. A large number of SHM methods is based on ultrasonic waves, whose properties change depending on structural health. However, the wide application of SHM systems is limited due to the lack of suitable methods to assess their reliability. The evaluation of the system performance usually refers to the determination of the Probability of Detection (POD) of a test procedure. Up to now, only few limited methods exist to evaluate the POD of SHM systems, which prevent them from being standardised and widely accepted in industry. The biggest hurdle concerning the POD calculation is the large amount of samples needed. A POD analysis requires data from numerous identical structures with integrated SHM systems. Each structure is then damaged at different locations and with various degrees of severity. All of this is connected to high costs. Therefore, one possible way to tackle this problem is to perform computer-aided investigations. In this work, the POD assessment procedure established in NDT according to the Berens model is adapted to guided wave-based SHM systems. The approach implemented here is based on solely computer-aided investigations. After efficient modelling of wave propagation phenomena across an automotive component made of a carbon fibre-reinforced composite, the POD curves are extracted. Finally, the novel concept of a POD map is introduced to look into the effect of damage position on system reliability. KW - Reliability KW - Acoustics KW - Monitoring KW - Automotive engineering KW - Elastodynamic Finite Inegration Technique PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528218 DO - https://doi.org/10.1109/TUFFC.2021.3084898 VL - 68 IS - 10 SP - 3156 EP - 3173 AN - OPUS4-52821 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Klewe, Tim A1 - Strangfeld, Christoph A1 - Ritzer, Tobias A1 - Kruschwitz, Sabine T1 - Classification of moisture damage in layered building floors with GPR and neutron probe N2 - In 2019, 3.1 billion Euro of damage was caused by piped water, accounting for the largest share (53%) of building insurance claims in Germany. In the event of damage, the accurate determination and localization of water ingress is essential to plan for and perform efficient renovations. Neutron probes are already applied successfully on building floors to localize the source of damage and other affected areas. However, additional information about the depth of moisture penetration can only be obtained by the destructive extraction of drilling cores, which is a time- and cost-intensive procedure. With its high sensitivity to water and fast measurement procedure, Ground Penetrating Radar (GPR) can serve as a suitable extension to the neutron probe, enabling more precise characterization of common forms of moisture damage. In this research project, we study the influence of common types of moisture damage in differing floor constructions using GPR and a neutron probe. A measurement setup with interchangeable layers is used to vary the screed material (cement or anhydrite) and insulation material (Styrofoam, Styrodur, glass wool, perlite), as well as the respective layer thickness. Every configuration is measured for the following main cases: 1) dry state; 2) with a damaged insulation layer and 3) a damaged screed layer. The evaluation is focused on the extraction of distinctive signal features for GPR, which can be used to classify the underlying case of damage. Furthermore, possible combinations of these features are investigated using multivariate data analysis and machine learning in order to evaluate the influence of different floor constructions. To validate the developed methods, practical measurements on real damage cases in Germany are carried out and compared to reference data obtained from drilling cores. T2 - EGU 21 General Assembly CY - Online meeting DA - 19.04.2021 KW - Radar KW - Moisture KW - Building floors PY - 2021 AN - OPUS4-52532 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Strangfeld, Christoph T1 - Quantification of the Knudsen Effect on the Effective Gas diffusion Coefficient in Partially Saturated Pore Distributions N2 - The effective gas diffusion coefficient describes the process of gas diffusion in porous materials. Several materials have a significant number of micropores in the lower nanometre range leading to a reduction of gas diffusion (Knudsen effect). In the case of partial pore saturation during adsorption, the available pore space is further reduced, as is the gas diffusion. In this study, the influence of partially saturated pores on the Knudsen effect and on the gas diffusion is quantified. Three different pore geometries are investigated (slit, cylindrical and spherical pores) and three different types of pore size distribution, including a broad equal distribution, three narrow normal distributions and two measured distributions of concrete. Besides the intensive computation of the exact pore saturation, a simplified model with low computational requirements is suggested. This study shows that the influence of the water layer thickness on the effective diffusion becomes significant for pore radii below 50 nm and the assumed pore geometry is important. At the end, the overall effect is quantified for an amorphous material with most pore radii below 30 nm. At a moisture level of 50% relative humidity, the effective diffusion is reduced by 35% due to partial saturation. KW - Effective gas diffusion coefficient KW - Gas transport in porous media KW - Knudsen diffusion KW - Moisture transport KW - Nanopores PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528509 DO - https://doi.org/10.1002/adem.202100106 VL - 23 IS - 10 SP - 2100106 PB - Wiley AN - OPUS4-52850 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gantois, F. A1 - Lalere, B. A1 - Demeyer, S. A1 - Le Diouron, V. A1 - Fallot, C. A1 - Vaneeckhoute, H. A1 - Philipp, Rosemarie A1 - Lippa, K. A1 - Toman, B. T1 - ALCOREF "Certified forensic alcohol reference materials" N2 - The presentation provides an overview of the EMPIR project ALCOREF “Certified forensic alcohol reference materials”. Results of an EURAMET intercomparison of ethanol in water reference materials developed in the project are presented, and two different statistical models for the key comparison reference function are discussed, the Frequentist approach and a Bayesian approach. T2 - CCQM Organic Analysis Working Group Meeting CY - Online meeting DA - 04.05.2021 KW - Certified reference material KW - EMPIR project KW - Interlaboratory comparison PY - 2021 AN - OPUS4-52852 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - Von der Au, Marcus T1 - HR-CS-GFMAS as a promising new tool for the analysis of organo-fluorine in environmental samples N2 - New HR-CS-GFMAS based methods for organically bound fluorine detection in environmental samples. T2 - CRC Colloquium - CRC 1349 Fluorine-Specific Interactions CY - Online meeting DA - 21.06.2021 KW - HR-CS-GFMAS KW - Organically bound fluorine KW - Fluorine sum parameter KW - Environmental analysis PY - 2021 AN - OPUS4-52844 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bennet, Francesca A1 - Burr, L. A1 - Schmid, D. A1 - Hodoroaba, Vasile-Dan T1 - Towards a method for quantitative evaluation of nanoparticle from suspensions via microarray printing and SEM analysis N2 - As part of the development of a library of accurate and efficient methods for measurement of nanoparticle properties, we develop and optimize a method for the efficient analysis of nanoparticle size distribution from suspensions via microprinting and digital analysis of electron microscopy (SEM and TEM) images, with the ultimate aim of automated quantitative concentration analysis (calculated from drop volume). A series of different nanoparticle suspensions (gold, latex, and SiO2 in varying sizes and concentrations) were printed onto TEM grids in a 4 x 4 array in the concentration range 7x10^8 to 1x10^11 nanoparticles/mL and imaged with SEM. Concentrations and printing conditions (temperature, relative humidity) were varied in order to minimize the coffee-ring effect. KW - Nanoparticles KW - Particle size distribution KW - Electron microscopy KW - Microarray printing KW - Sample preparation KW - Nanoparticle concentration PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528455 DO - https://doi.org/10.1088/1742-6596/1953/1/012002 VL - 1953 SP - 012002 PB - IOP Publishing AN - OPUS4-52845 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Jurgelucks, B. A1 - Bulling, Jannis A1 - Prager, Jens A1 - Walther, A. T1 - Defect Characterization in Carbon Fiber Reinforced Polymer via Derivative-based Optimization N2 - In recent years carbon über polymers have become a popular light-weight substitute for high-weight materials such as steel. One advantage of carbon fiber polymers is the high strength-to-weight ratio, thus some popular application areas are weight sensitive such as aeronautics or automobiles. As these application areas are especially sensitive to material failure it is of significant interest to characterize material defects which may arise. In this talk we will propose a method to characterize material defects in carbon fiber reinforced polymers using gradient-based optimization methods. The procedure is based on the solution of an inverse problem where simulation data and experimental data is fitted. Here, gradients of the simulation will be supplied by an Algorithmic Differentiation (AD) tool which greatly enhances the quality of the solution. Numerical examples will be provided. T2 - GAMM 2020@21 CY - Online meeting DA - 15.03.2021 KW - Inverse Method KW - Scaled Boundary Finite Element Method KW - Algorithmic Differentiation PY - 2021 AN - OPUS4-52896 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lay, Vera A1 - Buske, S. A1 - Kleine, F. A1 - Townend, J. A1 - Kellett, R. A1 - Savage, M. A1 - Schmitt, D. R. A1 - Constantinou, A. A1 - Eccles, J. A1 - Lawton, D. A1 - Bertram, M. A1 - Hall, K. A1 - Kofman, R. A1 - Gorman, A. T1 - 3D seismic imaging of the Alpine Fault and the glacial valley at Whataroa, New Zealand N2 - The Alpine Fault at the West Coast of the South Island (New Zealand) is a major plate boundary that is expected to rupture in the next 50 years, likely as a magnitude 8 earthquake. The Deep Fault Drilling Project (DFDP) aimed to deliver insight into the geological structure of this fault zone and its evolution by drilling and sampling the Alpine Fault at depth. Here we present results from a seismic survey around the DFDP-2 drill site in the Whataroa Valley where the drillhole almost reached the fault plane. This unique 3D seismic survey includes several 2D lines and a 3D array at the surface as well as borehole recordings. Within the borehole, the unique option to compare two measurement systems is used: conventional three-component borehole geophones and a fibre optic cable (heterodyne Distributed Vibration Sensing system (hDVS)). Both systems show coherent signals but only the hDVS system allowed a recording along the complete length of the borehole. Despite the challenging conditions for seismic imaging within a glacial valley filled with sediments and steeply dipping valley flanks, several structures related to the valley itself as well as the tectonic fault system are imaged. The pre-processing of the seismic data also includes wavefield separation for the zero-offset borehole data. Seismic images are obtained by prestack depth migration approaches. Within the glacial valley, particularly steep valley flanks are imaged directly and correlate well with results from the P-wave velocity model obtained by first arrival travel-time tomography. Additionally, a glacially over-deepened trough with nearly horizontally layered sediments is identified about 0.5 km south of the DFDP-2B borehole. With regard to the expected Alpine fault zone, a set of several reflectors dipping 40-56° to the southeast are identified in a ~600 m wide zone between depths of 0.2 and 1.2 km that is interpreted to be the minimum extent of the damage zone. Different approaches image one distinct reflector dipping at 40°, which is interpreted to be the main Alpine Fault reflector. This reflector is only ~100 m ahead from the lower end of the borehole. At shallower depths (z<0.5 km), additional reflectors are identified as fault segments and generally have steeper dips up to 56°. About 1 km south of the drill site, a major fault is identified at a depth of 0.1-0.5 km that might be caused by the regional tectonics interacting with local valley structures. A good correlation is observed among the separate seismic data sets and with geological results such as the borehole stratigraphy and the expected surface trace of the fault. In conclusion, several structural details of the fault zone and its environment are seismically imaged and show the complexity of the Alpine Fault at the Whataroa Valley. Thus, a detailed seismic characterization clarifies the subsurface structures, which is crucial to understand the transpressive fault’s tectonic processes. T2 - EGU 2021 General Assembly CY - Online meeting DA - 19.04.2021 KW - Imaging KW - Signal processing KW - Seismic KW - Borehole KW - DAS PY - 2021 AN - OPUS4-52614 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Philipp, Rosemarie A1 - Lalere, B. A1 - Gantois, F. T1 - EURAMET.QM-S14 Measurement capabilities for the quantification of ethanol in water N2 - The presentation summarizes the results of the EURAMET key comparison QM-S14 “Measurement capabilities for the quantification of ethanol in water”. Possible options for the key comparison reference value (KCRV) are discussed. A Bayesian approach is finally used to estimate the KCRV and the degrees of equivalence of participants. T2 - EURAMET TC-MC Sector Committee Bio- and Organic Analysis Meeting CY - Online meeting DA - 02.02.2021 KW - Certified reference material KW - EMPIR project KW - Interlaboratory comparison PY - 2021 AN - OPUS4-52615 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gantois, F. A1 - Lalere, B. A1 - Demeyer, S. A1 - Le Diouron, V. A1 - Fallot, C. A1 - Vaneeckhoute, H. A1 - Philipp, Rosemarie A1 - Lippa, K. A1 - Toman, B. T1 - EURAMET.QM-S13 Comparison of value assigned forensic alcohol in water reference materials N2 - The presentation summarizes the results of the EURAMET key comparison QM-S13 “Comparison of value assigned forensic alcohol in water reference materials”. Possible options for the key comparison reference function (KCRF) are discussed: the frequentist approach and a Bayesian approach. Both methods are used to determine the degrees of equivalence of materials and participants. T2 - EURAMET TC-MC Sector Committee Bio- and Organic Analysis Meeting CY - Online meeting DA - 02.02.2021 KW - Certified reference material KW - EMPIR project KW - Iinterlaboratory comparison PY - 2021 AN - OPUS4-52617 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Held, Mathias A1 - Rashwan, Abdalla A1 - Lauschkin, Maik A1 - Bulling, Jannis A1 - Lugovtsova, Yevgeniya A1 - Prager, Jens T1 - Inverse determination of elastic material parameters from ultrasonic guided waves dispersion measurements using Convolutional Neuronal Networks N2 - In the context of Industry 4.0 and especially in the field of Structural Health Monitoring, Condition Monitoring and Digital Twins, simulations are becoming more and more important. The exact determination of material parameters is required for realistic results of numerical simulations of the static and dynamic behavior of technical structures. There are many possibilities to determine elastic material parameters. One possibility of non-destructive testing are ultrasonic guided waves. For the evaluation of the measurement results, mostly inverse methods are applied in order to be able to draw conclusions about the elastic material parameters from analysing the ultrasonic guided wave propagation. For the inverse determination of the elastic material Parameters with ultrasonic guided waves, several investigations were carried out, e.g. the determination of the isotropic material parameters through the point of zero-groupvelocity or anisotropic material parameters with a simplex algorithm. These investigations are based on the evaluation of dispersion images. Machine learning and in particular Convolutional Neural Networks (CNN) are one possibility of the automated evaluation from Image data, e.g. classification or object recognition problems. This article shows how the dispersive behavior of ultrasonic guided waves and CNNs can be used to determine the isotropic elastic constants of plate-like structures. T2 - SMSI 2021 2021-05-03 - 2021-05-06 digital CY - Online meeting DA - 03.05.2021 KW - Convolutional Neuronal Networks KW - Inverse Probleme KW - Materialcharakterisierung KW - guided waves KW - Dispersion PY - 2021 SN - 978-3-9819376-4-0 DO - https://doi.org/10.5162/SMSI2021/A10.2 VL - 2021 SP - 239 EP - 240 AN - OPUS4-52618 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Boehm, U. A1 - Nelson, G. A1 - Brown, C. M. A1 - Bagley, S. A1 - Bajcsy, P. A1 - Bischof, J. A1 - Dauphin, A. A1 - Dobbie, I. M. A1 - Eriksson, J. E. A1 - Faklaris, O. A1 - Fernandez-Rodriguez, J. A1 - Ferrand, A. A1 - Gelman, L. A1 - Gheisari, A. A1 - Hartmann, H. A1 - Kukat, C. A1 - Laude, A. A1 - Mitkovski, M. A1 - Munck, S. A1 - North, A. J. A1 - Rasse, T. M. A1 - Resch-Genger, Ute A1 - Schuetz, L. C. A1 - Seitz, A. A1 - Strambio-De-Castillia, C. A1 - Swedlow, J. R. A1 - Nitschke, R. T1 - QUAREP-LiMi: A community endeavor to advance quality assessment and reproducibility in light microscopy N2 - The community-driven initiative Quality Assessment and Reproducibility for Instruments & Images in Light Microscopy (QUAREP-LiMi) wants to improve reproducibility for light microscopy image data through Quality control (QC) management of instruments and images. It aims for a common set of QC guidelines for Hardware calibration and image acquisition, management and analysis. KW - Fluorescence KW - Microscopy KW - Quality assurance KW - Comparability KW - Imaging KW - Standards KW - Reference materials KW - Reliability KW - Data KW - Reference data KW - Biology KW - Medicine KW - Life science PY - 2021 DO - https://doi.org/10.1038/s41592-021-01162-y SN - 1548-7105 VL - 18 SP - 1424 EP - 1427 PB - Nature Publishing Group CY - London AN - OPUS4-52722 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Epping, Ruben A1 - Koch, Matthias A1 - Langer, S. A1 - Weiss, T. T1 - Development of an analytical device to search for truffles N2 - The goal of this project is to develop a mobile technical solution for tracking down truffles, with which they can be harvested easier, faster, cheaper and more efficiently than with the current method of using trained dogs. The R&D cooperation project between BAM and sglux GmbH contains the characterization of the truffle aroma and identification of marker substances therein, the development of a fast, sensitive separation and quantification method based on ozone chemiluminescence as well as the construction of a prototype device. T2 - Tag der Chemie CY - Online Meeting DA - 06.07.2021 KW - Truffles KW - Volatile organic compounds KW - Chemiluminescence KW - Mobile device KW - Trace analysis PY - 2021 AN - OPUS4-52725 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiner, S. A1 - Heldt, J. A1 - Sobol, Oded A1 - Unger, Wolfgang A1 - Frömeling, T. T1 - Influence of oxygen vacancies on core-shell formation in solid solutions of (Na,Bi)TiO3 and SrTiO3 N2 - Solid solutions of (Na,Bi)TiO3 (NBT) and SrTiO3 (ST) are materials of interest for high-strain or high-energy density capacitor applications. Often, they exhibit chemical heterogeneity and develop core-shell structures during regular solid-state synthesis with an NBT-rich core. In this case, the NBT forms first so that the strontium needs to diffuse into the material to reach chemical homogeneity. Depending on the presence of core-shell structures, the electrical properties can vary drastically. In this work, we rationalize the effect of variations in oxygen vacancy concentration by Fe-acceptor and Nb-donor doping. It can be shown that a diffusion couple of strontium and oxygen is responsible for chemical homogenization and that the oxygen vacancy content can control the formation of a core-shell structure. KW - Lead-free ceramics KW - Bismuth titanates KW - Core-shell structures KW - Diffusion/diffusivity KW - Ferroelectricity/ferroelectric materials PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525988 DO - https://doi.org/10.1111/jace.17845 SP - 1 EP - 10 PB - Wiley Periodicals LLC, John Wiley & Sons, Inc. AN - OPUS4-52598 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - von der Au, Marcus A1 - Meermann, Björn T1 - A fast and simple extraction method for the determination of PFASs in soil samples - HR-CS-GFMAS a new screening tool N2 - Here, we describe a fast and simple extraction method for the determination of per- and polyfluorinated alkyl substances (PFASs) utilizing extractable organic fluorine (EOF) sum parameter analysis and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) in soil samples. After extraction and separation of inorganic and organic fluorinated compounds, organically bound fluorinated compounds were indirectly determined via the molecular absorption of gallium mono-fluoride at 211.248 nm. The implementation of the decisions of the “Stockholm Convention on persistent organic pollutants” as well as the “Protocol on Persistent Organic Pollutants of the Convention on Long-Range Transboundary Air Pollution” of the UNECE include the reduction respectively the elimination of PFASs in the environment. Currently, regulations aim to target single compounds (mostly C8-PFAS). But the PFAS group includes over 4700 substances, which are potentially persistent and toxic, thus target analytical approaches are not suitable for a holistic approach investigating the PFAS pollutant situation. Furthermore, forbidden PFASs are substituted by short-chain PFASs, thus the number of unknow substances is steadily increasing. For this reason, sum parameter approaches are more suitable to investigate and assess the pollution situation as well as derive exposure limits. Our developed analytical method was successfully applied to determine PFASs in soil samples from a polluted site. In view of steadily increasing numbers of PFAS substances, our method will make an important contribution in assessing the pollution situation as well as support policy makers in deriving exposure limits for PFAS in the future. T2 - ENSOr - International Workshop on Emerging policy challenges on new soil contaminants CY - Online Meeting DA - 06.05.2021 KW - PFAS KW - HR-CS-GFMAS KW - Soil KW - Sediment PY - 2021 AN - OPUS4-52608 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Held, Mathias A1 - Rashwan, Abdalla A1 - Lauschkin, Maik A1 - Bulling, Jannis A1 - Lugovtsova, Yevgeniya A1 - Prager, Jens T1 - Inverse determination of elastic material parameters from ultrasonic guided waves dispersion measurements using Convolutional Neuronal Networks N2 - This presentation shows how the dispersive behavior of ultrasonic guided waves in isotropic materials can be used by means of Convolutional Neural Networks to determine the elastic parameters. For this purpose, the preprocessing, the training, the chosen architecture and the results are evaluated on the basis synthetic image data. This presentation was given at the SMSI 2021. T2 - SMSI 2021 2021-05-03 - 2021-05-06 digital CY - Online Meeting DA - 03.05.2021 KW - Guided waves KW - Inverse Probleme KW - Materialcharakterisierung KW - Convolutional Neuronal Networks KW - Dispersion PY - 2021 AN - OPUS4-52625 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moufid, M. A1 - Bouchikhi, B. A1 - Tiebe, Carlo A1 - Bartholmai, Matthias A1 - El Bari, N. T1 - Assessment of outdoor odor emissions from polluted sites using simultaneous thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS), electronic nose in conjunction with advanced multivariate statistical approaches N2 - Poor air quality, particularly in urban areas, causes various diseases and degrades living standards. Air Quality could be affected by emissions of odor, Volatile Organic Compounds (VOCs), and other gases. Therefore, assessment and monitoring of odorous air quality using sensitive, simple, rapid, accurate and portable tools is very important for public health. This study aimed to characterize odor emissions to detect malfunctions in facilities and to prevent air pollution and olfactory nuisance in the environment. A gas chromatographic method, in conjunction with sensorial analysis were performed for odorous air samples analysis collected from neighborhood of Meknes city (Morocco). Advanced multivariate statistical approaches, such as Principal Components Analysis (PCA), Discriminant Function Analysis (DFA), Support Vector Machines (SVMs), and Hierarchical Cluster Analysis (HCA), were used to describe samples similarities. The electronic nose (e-nose) data processing exhibits a satisfactory discrimination between the odorous air samples. Twenty-four VOCs with known molecular formulas were identified with Thermal Desorption-Gas Chromatography-Mass Spectrometry (TD-GC-MS). A validated Partial Least Square (PLS) model foresees good calibration between e-nose measurement and TD-GCMS analysis. The finding indicates that TD-GC–MS approach in conjunction with e-nose unit could be suitable tool for environmental measurement-based odor emissions. KW - Electronic nose KW - TD-GC-MS KW - PLS regression KW - Multivariate analysis KW - Outdoor odor emissions PY - 2021 DO - https://doi.org/10.1016/j.atmosenv.2021.118449 SN - 1352-2310 VL - 256 SP - 118449 PB - Elsevier Ltd. AN - OPUS4-52626 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zeipert, H. A1 - Claes, L. A1 - Johannesmann, S. A1 - Webersen, M. A1 - Lugovtsova, Yevgeniya A1 - Prager, Jens A1 - Henning, B. T1 - Measurement and simulation of Lamb waves in adhesive-bonded multilayer systems N2 - Lamb waves are a common tool in the field of non-destructive testing and are widely used for materialcharacterisation. Further, the increasing computational capability of modern systems enables the Simulation of complex and detailed material models. This work demonstrates the possibility of simulating an adhesive-bonded multilayer system by characterising each layer individually, and introduces an Approach for determining the dispersive behaviour of acoustic waves in a multilayer system via real measurements. T2 - SMSI 2021 Conference – Sensor and Measurement Science International CY - Online meeting DA - 03.05.2021 KW - Adhesive bonds KW - Lamb waves KW - Elastic constants KW - Non-Destructive Testing KW - Ultrasound PY - 2021 DO - https://doi.org/10.5162/SMSI2021/A8.2 SP - 91 EP - 92 AN - OPUS4-52634 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zeipert, H. A1 - Claes, L. A1 - Johannesmann, S. A1 - Webersen, M. A1 - Lugovtsova, Yevgeniya A1 - Prager, Jens A1 - Henning, B. T1 - Measurement and simulation of Lamb waves in adhesive-bonded multilayer systems N2 - Lamb waves are a common tool in the field of non-destructive testing and are widely used for material characterisation. Further, the increasing computational capability of modern systems enables the Simulation of complex and detailed material models. This work demonstrates the possibility of simulating an adhesive-bonded multilayer system by characterising each layer individually, and introduces an Approach for determining the dispersive behaviour of acoustic waves in a multilayer system via real measurements. T2 - SMSI 2021 Conference – Sensor and Measurement Science International CY - Online meeting DA - 03.05.2021 KW - Adhesive bonds KW - Lamb waves KW - Elastic constants KW - Non-Destructive Testing KW - Ultrasound PY - 2021 AN - OPUS4-52635 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, Gudrun A1 - Krahl, Thoralf A1 - Prinz, Carsten A1 - Emmerling, Franziska A1 - Kemnitz, E. T1 - Luminescent properties of Eu3+/Tb3+ doped fluorine containing coordination polymers N2 - Lanthanides doped coordination polymers (CPs) with different binding motifs were synthesized to investigate the influence of the different fluorine positions in the structure on the decay time τ of the excited states. Fluorine can be integrated into the network mechanochemically via a fluorinated organic linker, here barium tetrafluoroterephthalate Ba(p-BDC-F4)2 or directly via a metal-fluorine bond (barium terephthalate fluoride BaF(p-BDC)0.5). The CP with a metal-fluorine bond shows the highest lifetime of the excited states of lanthanides (Eu3+, Tb3+ or Eu3+& Tb3+). The excitation of the lanthanides can be performed directly via the excitation wavelength typical for lanthanides and via the excitation wavelength of the linker. This enabled the simultaneous excitation of Eu3+ and Tb3+ in one CP. In the emission spectra (λem = 393 nm) of the mixed doped CPs (Eu3+ and Tb3+) the bands of both lanthanides can be observed. The integration into the crystal lattice and the homogeneous distribution of the lanthanides in the CPs is shown by X-ray diffraction, TEM, STEM-EDS measurements and the long decay times. KW - Alkaline earth metal coordination polymers KW - Fluorine coordination polymers KW - Lanthanides doped coordination polymers KW - Luminescence PY - 2021 DO - https://doi.org/10.1016/j.solidstatesciences.2021.106614 VL - 117 SP - 106614 PB - Elsevier Masson SAS AN - OPUS4-52559 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kjaervik, Marit A1 - Ramstedt, M. A1 - Schwibbert, Karin A1 - Dietrich, P. M A1 - Unger, Wolfgang T1 - Comparative Study of NAP-XPS and Cryo-XPS for the Investigation of Surface Chemistry of the Bacterial Cell-Envelope N2 - Bacteria generally interact with the environment via processes involving their cell-envelope. Thus, techniques that may shed light on their surface chemistry are attractive tools for providing an understanding of bacterial interactions. One of these tools is Al Kα-excited photoelectron spectroscopy (XPS) with its estimated information depth of <10 nm. XPS-analyses of bacteria have been performed for several decades on freeze-dried specimens in order to be compatible with the vacuum in the analysis chamber of the spectrometer. A limitation of these studies has been that the freeze-drying method may collapse cell structure as well as introduce surface contaminants. However, recent developments in XPS allow for analysis of biological samples at near ambient pressure (NAP-XPS) or as frozen hydrated specimens (cryo-XPS) in vacuum. In this work, we have analyzed bacterial samples from a reference strain of the Gram-negative bacterium Pseudomonas fluorescens using both techniques. We compare the results obtained and, in general, observe good agreement between the two techniques. Furthermore, we discuss advantages and disadvantages with the two analysis approaches and the output data they provide. XPS reference data from the bacterial strain are provided, and we propose that planktonic cells of this strain (DSM 50090) are used as a reference material for surface chemical analysis of bacterial systems. KW - P. Fluorescens KW - Cryo XPS KW - NAP-XPS KW - DSM 5009 PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525640 DO - https://doi.org/10.3389/fchem.2021.666161 VL - 9 SP - Article 666161 PB - Frontiers CY - Switzerland AN - OPUS4-52564 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meermann, Björn T1 - Elemental analytical methods in material- & environmental analysis N2 - Materials in contact with the environment release e.g., metal-ions, elemental species and/or (nano-)particles. Once these species and/or particles are released, they are ingested by organisms and cells and thus, might have a negative impact on the environment. Thus, identification as well as quantification of potentially harmful substances is of utmost importance and highly needed to assess ecotoxicological impact of (emerging) pollutants. The oral presentation provides an overview on the power of elemental analytical techniques, in particular: ICP-MS as well as HR-CS-GFMAS in environmental research. Current research topics will be highlighted: i) Elemental Speciation analysis of anti-fouling agents via CE/MC-ICP-MS; ii) Per- and polyfluorinated compounds in surface waters via high resolution-continuum source-graphite furnace molecular absorption spectroscopy (HR-CS-GFMAS); iii) Single cell and single organism analysis via sc-ICP-ToF-MS and ETV/ICP-MS for ecotoxicological assessment. T2 - Analytical Colloquium at MERCK CY - Online meeting DA - 19.04.2021 KW - HR-CS-GFMAS KW - ICP-ToF-MS KW - ETV/ICP-MS PY - 2021 AN - OPUS4-52566 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dinter, Adelina-Elisa A1 - An-Stepec, Biwen A1 - Wurzler, Nina A1 - Özcan Sandikcioglu, Özlem A1 - Koerdt, Andrea A1 - Meermann, Björn T1 - Deciphering corrosion processes of MIC organisms - single cell-ICP-ToF-MS analysis of archaea on solid steels N2 - ICP-ToF (time of flight) MS enables the analysis of the multi-element fingerprint of single cells. The single cell ICP-ToF-MS is used in the presented poster for the analysis of archaea involved in microbiologically influenced corrosion (MIC) of steel. By means of sc-ICP-ToF-MS, the possible uptake of individual elements from the respective steel is investigated - the information obtained will be used in the future to elucidate underlying mechanisms and develop possible material protection concepts. The work combines modern methods of analytical sciences with materials. T2 - SALSA - Make & Measure 2021 CY - Online meeting DA - 16.09.2021 KW - Sc-ICP-ToF-MS KW - Single cell analysis KW - Microbiologically influenced corrosion KW - Archaea KW - Poster presentation PY - 2021 AN - OPUS4-53337 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dinter, Adelina-Elisa A1 - An-Stepec, Biwen A1 - Wurzler, Nina A1 - Koerdt, Andrea A1 - Meermann, Björn T1 - Development of a single cell-ICP-ToF-MS-method for multielement analysis of MIC organisms grown on solid steel samples N2 - The latest ICP-MS technology - ICP-ToF (time of flight)-MS – enables the analysis of the multi-element fingerprint of individual cells. The interface between material and environmental analysis thus receives special attention, e.g., when considering corrosion processes. Microbiologically influenced corrosion (MIC) is a highly unpredictable phenomenon due to the influence of the environment, microbial communities involved and the respective electron source. However, the interaction pathway between cells and the metal surface remains unclear. The development of the MIC-specific ICP-ToF-MS analytical method presented here at the single cell level, in combination with the investigation of steel-MIC interactions, contributes significantly to progress in instrumental MIC analysis and will enable clarification of the processes taking place. For this, a MIC-specific staining procedure was developed. It allows the analysis of archaea at a single cell level and provides information about the interaction of the cells with the staining agent which is extremely scarce compared to other well characterized organisms. Additionally, the single cell ICP-ToF-MS is used for the analysis of archaea involved in MIC of steel. Hence, the possible uptake of individual elements from different steel samples is investigated - the information obtained will be used in the future to elucidate underlying mechanisms and develop possible material protection concepts, thus combining modern methods of analytical sciences with materials. T2 - DAAS Doktorandenseminar 2021 CY - Online meeting DA - 20.09.2021 KW - Sc-ICP-ToF-MS KW - Single cell analysis KW - Microbiologically influenced corrosion KW - Archaea PY - 2021 AN - OPUS4-53340 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, Zhiyang A1 - Kneipp, Janina T1 - Surface Molecular Patterning by Plasmon-Catalyzed Reactions N2 - Self-assembled monolayers (SAMs) on plasmonic substrates play a significant role applications of surface-enhanced Raman scattering (SERS). At the same time, localized surface plasmon resonances (LSPRs) can be employed for a broad range of plasmon-supported chemical modifications. Here, micropatterning using the derivatization of SAMs on gold nanosubstrates for rewritable SERS-based security labels or as the basis for sensing arrays functionalized with biomolecules is demonstrated using different plasmon-catalyzed reactions. The formation of 4,4′-dimercaptoazobenzene (DMAB) from p-aminothiophenol (PATP) as well as from p-nitrothiophenol (PNTP) and the reduction of PNTP to PATP are used to change the functionality of the substrate in specified positions. Employing LSPR, the reactions are started by illumination using visible laser light at a high intensity in a focal spot of a microscope objective and yield microscopic patterns of the reaction product. The obtained molecular patterns can be erased by other reactions, enabling different strategies for rewriting, encryption, or stepwise functionalization. KW - 4,4′-dimercaptoazobenzene KW - Surface molecular patterning KW - Plasmon-catalyzed reactions KW - p-aminothiophenol KW - p-nitrothiophenol PY - 2021 DO - https://doi.org/10.1021/acsami.1c12410 SN - 1944-8252 VL - 13 IS - 36 SP - 43708 EP - 43714 PB - ACS Publications AN - OPUS4-53341 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Munir, R. A1 - Lisec, Jan A1 - Jaeger, Carsten A1 - Zaidi, N. T1 - Abundance, fatty acid composition and saturation index of neutral lipids in colorectal cancer cell lines N2 - Lipid droplets, the dynamic organelles that store Triglycerides (TG) and cholesterol esters (CE), are highly accumulated in colon cancer cells. This work studies the TG and CE subspecies profile in colon carcinoma cell lines, SW480 derived from primary tumor, and SW620 derived from a metastasis of the same tumor. It was previously reported that the total TG and CE content is dramatically higher in SW620 cells; however, TG and CE subspecies profile has not been investigated in detail. The work presented here confirms that the total TG and CE Content is significantly higher in the SW620 cells. Moreover, the fatty acid (FA) composition of TG is significantly altered in the SW620 cells, with significant decrease in the abundance of saturated triglycerides. This resulted in a significantly decreased TG saturation index in the SW620 cells. The saturation index of CE was also significantly decreased in the SW620 cells. KW - Mass Spectroscopy KW - Metabolomics KW - Cancer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533504 DO - https://doi.org/10.18388/abp.2020_5465 VL - 68 IS - 1 SP - 1 EP - 4 PB - ABP Acta Biochimica Polonica AN - OPUS4-53350 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lisec, Jan A1 - Kobelt, D. A1 - Walther, W. A1 - Mokrizkij, M. A1 - Grötzinger, C. A1 - Jaeger, Carsten A1 - Baum, K. A1 - Simon, M. A1 - Wolf, J. A1 - Beindorf, N. A1 - Brenner, W. A1 - Stein, U. T1 - Systematic Identification of MACC1-Driven Metabolic Networks in Colorectal Cancer N2 - MACC1 is a prognostic and predictive metastasis biomarker for more than 20 solid Cancer entities. However, its role in cancer metabolism is not sufficiently explored. Here, we report on how MACC1 impacts the use of glucose, glutamine, lactate, pyruvate and fatty acids and show the comprehensive analysis of MACC1-driven metabolic networks. We analyzed concentrationdependent changes in nutrient use, nutrient depletion, metabolic tracing employing 13C-labeled substrates, and in vivo studies. We found that MACC1 permits numerous effects on cancer metabolism. Most of those effects increased nutrient uptake. Furthermore, MACC1 alters metabolic pathways by affecting metabolite production or turnover from metabolic substrates. MACC1 supports use of glucose, glutamine and pyruvate via their increased depletion or altered distribution within metabolic pathways. In summary, we demonstrate that MACC1 is an important regulator of metabolism in cancer cells. KW - Mass Spectroscopy KW - Metabolomics KW - Cancer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533526 DO - https://doi.org/10.3390/cancers13050978 VL - 13 IS - 5 SP - 1 EP - 22 PB - MDPI Journal Cancers AN - OPUS4-53352 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Adamus, A. A1 - Ali, I. A1 - Vasileiadis, V. A1 - Al-Hileh, L. A1 - Lisec, Jan A1 - Frank, M. A1 - Seitz, G. A1 - Engel, N. T1 - Vincetoxicum arnottianum modulates motility features and metastatic marker expression in pediatric rhabdomyosarcoma by stabilizing the actin cytoskeleton N2 - Background: Prevention of metastatic invasion is one of the main challenges in the treatment of alveolar rhabdomyosarcoma. Still the therapeutic options are limited. Therefore, an anti-tumor screening was initiated focusing on the anti-metastatic and anti-invasion properties of selected medicinal plant extracts and phytoestrogens, already known to be effective in the prevention and treatment of different cancer entities. Methods: Treatment effects were first evaluated by cell viability, migration, invasion, and colony forming assays on the alveolar rhabdomyosarcoma cell line RH-30 in comparison with healthy primary cells. Results: Initial anti-tumor screenings of all substances analyzed in this study, identified the plant extract of Vincetoxicum arnottianum (VSM) as the most promising candidate, harboring the highest anti-metastatic potential. Those significant anti-motility properties were proven by a reduced ability for migration (60%), invasion (99%) and colony formation (61%) under 48 h exposure to 25 μg/ml VSM. The restricted motility features were due to an induction of the stabilization of the cytoskeleton – actin fibers were 2.5-fold longer and were spanning the entire cell. Decreased proliferation (PCNA, AMT, GCSH) and altered metastasis (e. g. SGPL1, CXCR4, stathmin) marker expression on transcript and protein level confirmed the significant lowered tumorigenicity under VSM treatment. Finally, significant alterations in the cell metabolism were detected for 25 metabolites, with levels of uracil, N-acetyl serine and propanoyl phosphate harboring the greatest alterations. Compared to the conventional therapy with cisplatin, VSM treated cells demonstrated a similar metabolic shutdown of the primary cell metabolism. Primary control cells were not affected by the VSM treatment. Conclusions: This study revealed the VSM root extract as a potential, new migrastatic drug candidate for the putative treatment of pediatric alveolar rhabdomyosarcoma with actin filament stabilizing properties and accompanied by a marginal effect on the vitality of primary cells. KW - Mass Spectroscopy KW - Metabolomics KW - Cancer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533530 DO - https://doi.org/10.1186/s12906-021-03299-x VL - 21 IS - 1 PB - Springer Nature AN - OPUS4-53353 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Iwert, C. A1 - Stein, J. A1 - Appelt, C. A1 - Vogt, K. A1 - Rainer, R. J. A1 - Tummler, K. A1 - Mühle, K. A1 - Stanko, K. A1 - Schumann, J. A1 - Uebe, D. A1 - Jürchott, K. A1 - Lisec, Jan A1 - Janek, K. A1 - Gille, C. A1 - Textoris-Taube, K. A1 - Sai, S. A1 - Petersen, A. A1 - Kühl, A. A. A1 - Klipp, E. A1 - Meisel, C. A1 - Sawitzki, B. T1 - TCAIM controls effector T cell generation by preventing Mitochondria-Endoplasmic Reticulum Contact Site-initiated Cholesterol Biosynthesis N2 - T cells need to adapt their cellular metabolism for effector cell differentiation. This relies on alterations in mitochondrial physiology. Which signals and molecules regulate those alterations remains unclear. We recently reported, that the mitochondrial protein TCAIM inhibits activation-induced changes in mitochondrial morphology and function and thus, CD effector T cell formation. Using conditional TCAIM knock-in (KI) and knockout (KO) mice, w now show that it also applies to CD8+ T cells and more importantly, delineate the molecular processes in mitochondria by which TCAIM controls effector cell differentiation. TCAIM KI resulted in reduced activation-induced HIF1α protein expression. Metabolomics and transcriptional data in combination with mathematical flux modeling revealed an impaired induction of anabolic pathways, especially of the mevalonate pathway and cholesterol biosynthesis in TCAIM KI CD8+ T cells. Addition of cholesterol completely rescued HIF1α protein expression, activation and proliferation of TCAIM KI CD8+ T cells. At the molecular level, TCAIM delayed activation-induced mitochondria-ER contact (MERC) formation by binding to MERC promoting proteins such as RMD3 and VDAC2. In summary, we demonstrate that TCAIM suppresses effector cell differentiation by inhibiting MERC formation, which induce HIF1α-mediated increase in cellular metabolism and cholesterol biosynthesis. KW - Mass Spectroscopy KW - Metabolomics KW - Cancer PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533543 UR - https://www.biorxiv.org/content/10.1101/2021.04.20.440500v1 DO - https://doi.org/10.1101/2021.04.20.440500 VL - April SP - 1 EP - 45 PB - Cold Spring Harbor Laboratory AN - OPUS4-53354 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - VIDEO A1 - Pauw, Brian Richard T1 - The SAXS platform at BAM N2 - Presentation of the Small-Angle X-Ray Scattering intrument at BAM (Berlin - Germany). More information about SAXS is available on Brian Pauw's long-running SAXS blog: https://lookingatnothing.com/ KW - X-ray scattering KW - MOUSE KW - Instrumentation KW - SAXS KW - Laboratory PY - 2021 UR - https://www.youtube.com/watch?v=OjYToZQTsqo PB - YouTube, LLC CY - San Bruno, CA, USA AN - OPUS4-53358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Geißler, Daniel A1 - Nirmalananthan-Budau, Nithiya A1 - Scholtz, Lena A1 - Tavernaro, Isabella A1 - Resch-Genger, Ute T1 - Analyzing the surface of functional nanomaterials — how to quantify the total and derivatizable number of functional groups and ligands N2 - Functional nanomaterials (NM) of different size, shape, chemical composition, and surface chemistry are of increasing relevance for many key technologies of the twenty-first century. This includes polymer and silica or silica-coated nanoparticles (NP) with covalently bound surface groups, semiconductor quantum dots (QD), metal and metal oxide NP, and lanthanide-based NP with coordinatively or electrostatically bound ligands, as well as surface-coated nanostructures like micellar encapsulated NP. The surface chemistry can significantly affect the physicochemical properties of NM, their charge, their processability and performance, as well as their impact on human health and the environment. Thus, analytical methods for the characterization of NM surface chemistry regarding chemical identification, quantification, and accessibility of functional groups (FG) and surface ligands bearing such FG are of increasing importance for quality control of NM synthesis up to nanosafety. Here, we provide an overview of analytical methods for FG analysis and quantification with special emphasis on bioanalytically relevant FG broadly utilized for the covalent attachment of biomolecules like proteins, peptides, and oligonucleotides and address methodand material-related challenges and limitations. Analytical techniques reviewed include electrochemical titration methods, optical assays, nuclear magnetic resonance and vibrational spectroscopy, as well as X-ray based and thermal analysis methods, covering the last 5–10 years. Criteria for method classification and evaluation include the need for a signal-generating label, provision of either the total or derivatizable number of FG, need for expensive instrumentation, and suitability for process and production control during NM synthesis and functionalization. KW - Functional group quantification KW - Surface ligand KW - Nanomaterial KW - Optical detection KW - Electrochemical titration KW - Nanosafety (Safe-by-design) PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533597 DO - https://doi.org/10.1007/s00604-021-04960-5 VL - 188 IS - 10 SP - 1 EP - 28 PB - Springer Nature AN - OPUS4-53359 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Klewe, Tim A1 - Strangfeld, Christoph A1 - Ritzer, Tobias A1 - Kruschwitz, Sabine T1 - Combining Signal Features of Ground-Penetrating Radar to Classify Moisture Damage in Layered Building Floors N2 - To date, the destructive extraction and analysis of drilling cores is the main possibility to obtain depth information about damaging water ingress in building floors. The time- and costintensive procedure constitutes an additional burden for building insurances that already list piped water damage as their largest item. With its high sensitivity for water, a ground-penetrating radar (GPR) could provide important support to approach this problem in a non-destructive way. In this research, we study the influence of moisture damage on GPR signals at different floor constructions. For this purpose, a modular specimen with interchangeable layers is developed to vary the screed and insulation material, as well as the respective layer thickness. The obtained data set is then used to investigate suitable signal features to classify three scenarios: dry, damaged insulation, and damaged screed. It was found that analyzing statistical distributions of A-scan features inside one B-scan allows for accurate classification on unknown floor constructions. Combining the features with multivariate data analysis and machine learning was the key to achieve satisfying results. The developed method provides a basis for upcoming validations on real damage cases. KW - Radar KW - Material Moisture KW - Non-destructive testing KW - Signal Features KW - Civil Engineering KW - Machine Learning PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533606 DO - https://doi.org/10.3390/app11198820 VL - 11 IS - 19 SP - 8820 PB - MDPI AN - OPUS4-53360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Duwe, M. A1 - Florian, C. A1 - Fischer, Daniel A1 - Freiberg, K. A1 - Sahre, Mario A1 - Schneider, S. A1 - Hertwig, Andreas A1 - Krüger, Jörg A1 - Rettenmayr, M. A1 - Beck, Uwe A1 - Undisz, A. A1 - Bonse, Jörn T1 - Thickness Profiling of the Superficial Amorphization and Re-Crystallization of Silicon Induced by Femtosecond Laser Pulses N2 - Crystalline Silicon undergoes a complex phase-change dynamic of melting, amorphization, ablation and re-crystallization upon irradiation with high intensity ultra-short laser pulses [1]. The final state of such a modified surface spot depends on many factors, most notably the local fluence and the surface’s crystal orientation. In this study, we induced superficial structure and phase changes in Silicon <111> and <100> wafers using single femtosecond laser pulses (790 nm, 30 fs) for a range of different peak fluences. The resulting surface modifications were studied in great detail using a number of different techniques, including spectroscopic imaging ellipsometry (SIE), atomic force microscopy, high-resolution transmission electron microscopy (HRTEM), and energy dispersive X-ray spectroscopy within scanning transmission electron microscopy (STEM-EDX). Playing a pivotal role in this work, SIE provided non-destructive measurements for the calculation of the radial amorphous layer-thickness profiles of the irradiated spots using a two-layer thin-film model (Silicon dioxide and amorphous Silicon on a crystalline Silicon substrate). The measurements further allowed for the analysis of the oxide-layer modifications induced by the laser treatment. The results of the SIE-calculations were cross-checked by an in-depth material lamella via HRTEM and STEM-EDX. T2 - 11th Workshop Ellipsometry (WSE 11) CY - Steyr, Austria DA - 06.09.2021 KW - Femtosecond Laser KW - Spectroscopic imaging ellipsometry KW - Amorphization KW - Ablation KW - Re-crystallization PY - 2021 AN - OPUS4-53363 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mirabella, Francesca A1 - Mezera, Marek A1 - Wasmuth, Karsten A1 - Hertwig, Andreas A1 - Richter, Anja A1 - Schwibbert, Karin A1 - Krüger, Jörg A1 - Bonse, Jörn A1 - Hodoroaba, Vasile-Dan T1 - ToF-SIMS as a new tool for nano-scale investigation of ps-laser-generated surface structures on titanium substrates N2 - In recent years, the fabrication of laser-generated surface structures on metals such as titanium surfaces have gained remarkable interests, being technologically relevant for applications in optics, medicine, fluid transport, tribology, and wetting of surfaces. The morphology of these structures, and so their chemistry, is influenced by the different laser processing parameters such as the laser fluence, wavelength, pulse repetition rate, laser light polarization type and direction, angle of incidence, and the effective number of laser pulses per beam spot area. However, the characterization of the different surface structures can be difficult because of constraints regarding the analytical information from both depth and the topographic artifacts which may limit the lateral and depth resolution of elemental distributions as well as their proper quantification. A promising technique to investigate these structures even at the nano-scale is Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS), a very surface sensitive technique that at the same time allows to perform depth-profiling, imaging and 3D-reconstruction of selected ion-sputter fragment distributions on the surface. In this study we combine chemical analyses such as Energy Dispersive X-ray spectroscopy (EDX) and high-resolution scanning electron microscopy (SEM) analyses with ToF-SIMS to fully characterize the evolution of various types of laser-generated micro- and nanostructures formed on Ti and Ti alloys at different laser fluence levels, effective number of pulses and at different pulse repetition rates (1 – 400 kHz), following irradiation by near-infrared ultrashort laser pulses (925 fs, 1030 nm) in air environment or under argon gas flow. We show how this combined surface analytical approach allows to evaluate alteration in the surface chemistry of the laser-generated surface structures depending on the laser processing parameters and the ambient environment. T2 - European Materials Research Society (EMRS) Fall Meeting 2021 CY - Online meeting DA - 20.09.2021 KW - ToF SIMS KW - Nano characterization PY - 2021 AN - OPUS4-53366 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Linberg, Kevin A1 - Michalchuk, Adam A1 - Emmerling, Franziska T1 - Tipping the Energy Scales to Control Mechanochemical Polymorphism N2 - Control of ball milling conversions is required before the full potential of mechanochemical processing can be realized. It is well known that many parameters affect the outcome of mechanochemical polymorphism, but the energy of ball milling itself is often overlooked. We show here how this parameter alone can exert a significant influence on the polymorphic outcome of ball mill grinding by allowing the selective isolation of two polymorphic forms in their pure form under the same grinding conditions. Furthermore, we show how apparent mechanochemical equilibria can be deceptive. Our results clearly demonstrate the need for careful design and interpretation of ball milling experiments beyond current thinking. T2 - SALSA make and measure CY - Online meeting DA - 16.09.2021 KW - Mechanochemistry KW - Energy KW - Polymorph KW - Cocrystal PY - 2021 AN - OPUS4-53293 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hertwig, Andreas A1 - Ermilova, Elena A1 - Sachse, René A1 - Beck, Uwe T1 - Accuracy, traceability, and standardization in spectroscopic ellipsometry N2 - Ellipsometry has been an extremely successful and fast expanding method in the past decades along with other related techniques using polarisation sensitive measurements. Opening new fields of application for a successful measurement technique brings some requirements and issues that have to be solved. From a metrological point of view, ellipsometry has the problem that uncertainties are difficult to determine for model-based analysis techniques in general. In this presentation, we will explore how the usefulness of polarimetric methods like ellipsometry can be increased. Ellipsometry as a method could profit from several current developments which will be discussed in this presentation: • Standardisation initiatives on national and international level developing standards for best practice when using ellipsometry. A series of at least six standards is currently developed on national German and international level covering different levels of sample complexity. • Projects on traceability of ellipsometry and structured surface spectrometry as well as new dielectric function database initiatives. • Metadata handling and data ontology providing a better framework for exchange and collaborative use of research data. We will also explore the quantification of measurement uncertainty using examples from projects in which BAM is involved. Examples will be presented of multilayer and non-ideal materials as well as the determination of layer properties for technical applications such as thin layer catalysts and complex polymers. The definition of reference materials will be discussed. T2 - 11th Workshop Ellipsometry (WSE 11) CY - Steyr, Austria DA - 06.09.2021 KW - Ellipsometry KW - Uncertainty KW - Surface analytics KW - Data science PY - 2021 AN - OPUS4-53295 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Simon, Fabian A1 - Gehrenkemper, Lennart A1 - von der Au, Marcus A1 - Meermann, Björn T1 - A fast and simple PFAS extraction method for soil samples utilizing HR-CS-GFMAS N2 - Here, we describe a fast and simple extraction method for the determination of per- and polyfluorinated alkyl substances (PFASs) utilizing extractable organic fluorine (EOF) sum parameter analysis and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) in soil samples. After extraction and separation of inorganic and organic fluorinated compounds, organically bound fluorinated compounds were indirectly determined via the molecular absorption of gallium mono-fluoride at 211.248 nm. The implementation of the decisions of the “Stockholm Convention on persistent organic pollutants” as well as the “Protocol on Persistent Organic Pollutants of the Convention on Long-Range Transboundary Air Pollution” of the UNECE include the reduction respectively the elimination of PFASs in the environment. Currently, regulations aim to target single compounds (mostly C8-PFAS). But the PFAS group includes over 4700 substances, which are potentially persistent and toxic, thus target analytical approaches are not suitable for a holistic approach investigating the PFAS pollutant situation. Furthermore, forbidden PFASs are substituted by short-chain PFASs, thus the number of unknow substances is steadily increasing. For this reason, sum parameter approaches are more suitable to investigate and assess the pollution situation as well as derive exposure limits. Our developed analytical method was successfully applied to determine PFASs in soil samples from a polluted site. In view of steadily increasing numbers of PFAS substances, our method will make an important contribution in assessing the pollution situation as well as support policy makers in deriving exposure limits for PFAS in the future. T2 - SALSA Make and Measure ... and Machines CY - Online meeting DA - 16.09.2021 KW - PFAS KW - HR-CS-GFMAS KW - IC KW - EOF KW - Soil PY - 2021 AN - OPUS4-53302 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gehrenkemper, Lennart A1 - Simon, Fabian A1 - von der Au, Marcus A1 - Meermann, Björn T1 - Detection of PFAS pollution in environmental samples - A Fast & sensitive PFAS sum parameter method using HR CS GFMAS N2 - The substance class of per- and polyfluorinated alkyl substances (PFAS) comprises more than 5300 organic compounds. PFAS are completely fluorinated on at least one carbon atom. They are associated with negative impacts on human and animal health, are extremely persistent in the environment, and bioaccumulate along food chains. Therefore, PFAS are classified as emerging pollutants. At the same time, their physicochemical properties make them attractive for use in diverse technical applications. They are both hydrophobic and lipophobic and show high thermal as well as chemical resistance due to the strong C-F bond. First regulations of some PFAS in combination with the technically excellent properties generated an innovation pressure and led to an enormous increase in the number of fluorinated substitution compounds. Due to the increasing complexity of this substance class, target analysis is not able to cover such a variety and multitude of analytes. Therefore, a suitable PFAS sum parameter method is necessary for an accurate detection of PFAS pollution in the environment, the identification of PFAS hotspots and an evaluation of appropriate remediation measures. Here we provide insights into the current state of PFAS sum parameter development and present our latest results on method development for the quantitative analysis of PFAS as extractable organically bound fluorine (EOF) in environmental samples using high-resolution molecular absorption spectrometry (HR-CS-GFMAS). For this purpose, we optimized the extraction of PFAS from different solid matrices with simultaneous separation of inorganic fluoride. For quantification resulting extracts were measured using a fluorine specific HR-CS-GFMAS method. By adding gallium salt solutions as modifiers in HR-CS-GFMAS, fluorine can be indirectly quantified very selectively by the in situ formation of GaF with low limits of quantification (instrumental LOQ c(F) < 3 µg/L). Here we will show results from real soil samples from sites with and without known contamination. T2 - 6. Doktorandenseminar des Deutschen Arbeitskreises für Analytische Spektroskopie (DAAS) CY - Online meeting DA - 20.09.2021 KW - High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) KW - Soil KW - Per- and polyfluorinated alkyl substances (PFASs) KW - Extractable organically bound fluorine (EOF) KW - Solid-liquid extraction PY - 2021 AN - OPUS4-53333 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mrkwitschka, Paul A1 - Kuchenbecker, Petra A1 - Hodoroaba, Vasile-Dan A1 - Rabe, Torsten T1 - Comparative study of suitable preparation methods to evaluate irregular shaped, polydisperse nanoparticles by scanning electron microscopy (SEM). N2 - Reliable characterization of materials at the nanoscale regarding their physio-chemical properties is a challenging task, which is important when utilizing and designing nanoscale materials. Nanoscale materials pose a potential toxicological hazard to the environment and the human body. For this reason, the European Commission amended the REACH Regulation in 2018 to govern the classification of nanomaterials, relying on number-based distribution of the particle size. Suitable methods exist for the granulometric characterization of monodisperse and ideally shaped nanoparticles. However, the evaluation of commercially available nanoscale powders is problematic. These powders tend to agglomerate, show a wide particle size distribution and are of irregular particle shape. Zinc oxide, aluminum oxide and cerium oxide with particle sizes less than 100 nm were selected for the studies and different preparation methods were used comparatively. First, the nanoparticles were dispersed in different dispersants and prepared on TEM-supported copper grids. Furthermore, individual powders were deposited on carbon-based self-adhesive pads. In addition, the samples were embedded by hot mounting and then ground and polished. The prepared samples were investigated by scanning electron microscopy (including the transmission mode STEM-in-SEM) and Dynamic Light scattering. The software package ImageJ was used to segment the SEM images and obtain the particle sizes and shapes and finally the number-based particles size distribution with size expressed as various descriptors. T2 - Ceramics 2021 CY - Online meeting DA - 19.04.2021 KW - Nanoparticles KW - Preparation KW - Characterization PY - 2021 AN - OPUS4-53272 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -