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Faecal contaminants in water are considered serious threats for human health, due to the presence of viruses, bacteria and other harmful microorganisms.1 Urobilin (UB) is a well-known faecal pigment and can be used as a marker for faecal matter in water.2 UB is commonly present in the urine of all mammals as the catabolic end product of bilirubin degradation.2 As the only simple chemical approach to its detection, Schlesinger’s test is usually used to enhance the weak fluorescence of UB in alcoholic media by complexation with Zinc.2, 3 The major limitation of this method is the only weak enhancement of the intrinsically weak UB fluorescence in aqueous media.3 This work presents an approach to introduce different Zn salts for improved fluorescence response, where we found a clear dependence of the fluorescence yield of UB-Zn(II) complexes on the counterion of the salt in water. By employing a combination of fluorescence parameters like transition energy, fluorescence intensity, and fluorescence lifetime, a photophysical understanding of the structure and conformation of the UB-Zn(II) complexes responsible for the fluorescence enhancement in water could be gained. The possibilities of developing a sensitive analytical method based on the acquired understanding are also discussed.
Therapeutic monoclonal antibodies are the fastest-growing group of biological agents which generated a yearly turnover of USD 210 billion in 2022 and whose sales are expected to grow by 10% annually over the next 10 years. With steadily increasing market importance, analytical methods for reliable quantification of therapeutic antibodies also become more and more relevant. Liquid chromatography coupled with tandem mass spectrometry (LC–MS/MS) has become the main technology for antibody quantification. This approach, however, requires enzymatic digestion of the intact protein into peptides, for which a wide range of different protocols exists that often lead to different results depending on the digestion procedure or trypsin variants used. In particular, the amount and type of detergents added for protein unfolding prior to digestion is known to create significant bias in measurement results. The overall goal of the presented project is the application of novel thermostable and surface-functionalized trypsin particles for improved antibody digestion. Specifically, a trypsin-variant described in the literature exhibiting increased activity and thermal stability above 80°C, will be examined. The application of this enzyme should allow to perform digestion at elevated temperatures where the protein is naturally unfolding thereby increasing enzyme accessibility without the need for detergents. Furthermore, we will immobilize the thermostable trypsin onto the surface to further enhance enzyme stability, prevent self-digestion, and enable separation of trypsin from target peptides before LC–MS/MS analysis. As an immobilization platform, cheap and non-porous corundum particles will be used as these show high chemical stability and low levels of interaction of matrix proteins with the functionalized surface. adsorption. In a multidisciplinary collaboration with the SALSA Photonics Lab, we will investigate the characteristics of covalent enzyme binding and unspecific peptide binding using an interface-sensitive analytical tool, vibrational sum-frequency generation (VSFG) spectroscopy. The insights gained will not only lead to new competencies in peptide and enzyme surface analysis using VSFG spectroscopy in SALSA but will also significantly contribute to optimizing antibody quantification.
Antikörper sind in der medizinischen Welt nicht mehr wegzudenken. Ihr Einsatz-Repertoire als Therapeutika für die Behandlung diverser Krankheiten und Infektionen weitet sich von Jahr zu Jahr mehr aus. Dabei basiert ein Großteil der verwendeten Antikörper zu diesem Zeitpunkt auf monoklonalen Antikörpern auf Basis von Hybridomazellen. Doch hier könnten rekombinante Antikörper aufgrund ihrer Vektor-basierten Expression eine vielversprechende und womöglich sogar revolutionierende Alternative bieten. So ergeben sich neue Optimierungsoptionen für Merkmale wie Affinität, Stabilität und Kompatibilität über Anpassungen auf genetischer oder posttranslationaler Ebene. Allerdings ergibt sich kein Anwendungszweck ohne die vorhergehende detaillierte Charakterisierung der Antikörper. Denn nur mit spezifischem Wissen über die diversen Eigenschaften und Wechselwirkungen kann eine effektive und präzise Verwendung in der Diagnostik und Therapeutik gewährleistet werden und auf diese Weise Leben retten.
Aus diesem Grund beschäftigt sich diese Masterarbeit mit der Vertiefung der rekombinanten Antikörper-Thematik. Dazu soll ein Anti-Tetanus-Antikörper erstmals rekombinant in verschiedenen Zelllinien hergestellt und anschließend über umfangreiche analytische Verfahren mit einem Fokus auf die Einflussanalyse der unterschiedlichen posttranslationalen Glykosylierungen charakterisiert werden. Zu diesem Zweck wurden als Grundlage einerseits zwei P1316-Dual-Expressions-Vektoren mit variierenden Insert-Positionen der schweren und leichten Kette durch Gibson-Assembly sowie individuellen pRK5-Plasmide für eine separiert Expression der Antikkörperketten mithilfe Restriktionsfragment-Ligation generiert. In einer Gegenüberstellung der der Expressionsausbeuten stellte sich die Überlegenheit der P1316-Plasmid-Konfiguration heraus, in der das Leichtketten-Insert an der ersten Expressionsstelle positioniert ist. Deshalb wurde dieser Vektor als Ausgangspunkt für die anschließende hochskalierten Herstellung des Anti-Tetanus-Antikörpers in Expi293F-GnTI- und ExpiCHO-S-Zellen verwendet. Ein ELISA bestätigte die Bindungsaktivität der rekombinanten Antikörper am Tetanus-Toxoid unabhängig vom Expressionssystem. Nach einer folgenden Optimierung der für die Aufreinigung verwendeten Protein-A-Affinitätschromatographie, wurde über weitere Charakterisierungsmethoden wie Größenausschlusschromatographie und dynamische Lichtstreuung eine vergleichbare Aggregation aufgrund der sauren Elution aufgezeigt. In diesem Kontext wurde die Notwendigkeit einer Zweistufen-Präparation mit Affinitäts- und Größenausschlusschromatografie für den Erhalt monodisperser Proben verdeutlicht. Zudem wurden die verschiedenen intakten Massen mitsamt ihrer spezifischen Glykan-abhängigen Streumaßen in Relation zum monoklonalen NISTmAB-Referenzantikörper bestimmt. Dabei konnte den Erwartungen nach sowohl die geringere Masse als auch die uniformere Glykosylierung der in Expi293 GnTI- exprimierten Immunoglobuline in Relation zum ExpiCHO-S-Antikörper nachgewiesen werden. Anschließend wurde das Stabilitätsverhalten mittels thermischer Entfaltung und dynamischer Lichtstreuung über einen ausgeweiteten Zeitraum sowie verschiedenen Temperaturen dokumentiert. Grundlegend wurde eine höhere thermische Stabilität der zweiten konstanten Schwerketten-Domäne des aus ExpiCHO-S-Zellen stammenden Antikörpers nachgewiesen. Außerdem konnte eine problemlose Lagerungsfähigkeit beider unterschiedlich glykosylierter Antikörper bei Raumtemperatur für mindestens 4 Wochen festgestellt werden. Des Weiteren wurde die Langzeitlagerung im Rahmen der Auswirkung von Gefrier-Auftau-Zyklen mit gleichbleibenden Methoden sowie zusätzlicher Größenausschlusschromatographie erprobt. Hierbei stellte sich der Erhalt der strukturellen Integrität nach bis zu 15 Zyklen heraus. Allerdings geht die Monodispersität bereits nach wenigen Zyklen verloren, wobei die geringfügiger glykosylierten Expi293F-GnTI-Anti-Tetanus-Antikörper eine stärkere Beeinträchtigung durch multiple Gefrier-Auftau-Zyklen aufwiesen.
Die Angabe von Unsicherheiten bei zertifizierten Werten von Referenzmaterialien ist von entscheidender Bedeutung. Die korrekte Einbindung der Unsicherheiten zur Berechnung von Verfahrensmessunsicherheiten ist wesentlich für die Gewährleistung der Genauigkeit und Zuverlässigkeit von Messungen. In diesem Vortrag werden die verschiedenen Einflussfaktoren auf die Unsicherheit zertifizierter Werte gemäß ISO Guide 35 dargestellt. Dabei werden insbesondere die Charakterisierung, Homogenität und Stabilität als entscheidende Faktoren für die Bestimmung der Unsicherheit eines Referenzmaterials betrachtet. Abschließend wird das Konzept anhand eines konkreten Beispiels veranschaulicht, um die praktische Anwendung und die Auswirkungen auf die Berechnung von Verfahrensmessunsicherheiten zu verdeutlichen.
This is a set of use examples for the HDF5Translator framework. This framework lets you translate measurement files into a different (e.g. NeXus-compatible) structure, with some optional checks and conversions on the way. For an in-depth look at what it does, there is a blog post here.
The use examples provided herein are each accompanied by the measurement data necessary to test and replicate the conversion. The README.md files in each example show the steps necessary to do the conversion for each.
We encourage those who have used or adapted one or more of these exampes to create their own conversion, to get in touch with us so we may add your example to the set.
qNMR - The handbook
(2023)
Quantitative NMR (qNMR) has been around for a long time, but also has great potential to solve future problems in any quantitative analysis. As a primary method, it differs fundamentally from chromatographic methods: it is better described as a quantum mechanical balance. Succesful implementation of qNMR requires certain attention to detail. "qNMR - the handbook" is intended to be a guide for analysts to help understand the fundamental principles of NMR and the significant points relating to its implementation for quantitation. Regulatory considerations of qNMR adoption are explained. NMR fundamentals are explained to provide understanding. Together with many useful examples, the book is a compelling addition to the laboratory's reference library, providing all the tools that any practitioner should know to successfully implement qNMR.
The authors are qNMR pioneers and come from a variety of backgrounds including business, government and academia.
In situ chemical analysis of duplex stainless steel weld by laser induced breakdown spectroscopy
(2024)
The high corrosion resistance and good mechanical properties of duplex stainless steel (DSS) are due to its special chemical composition, which is a balanced phase ratio of ferrite (α) and austenite (γ). Many industrial applications require the integration of DSS components. For this, Gas tungsten arc welding (GTAW) is an excellent choice, as it allows an automated operation with high reproducibility. However, when the weld pool solidifies, critical ratios of α- and γ- phases can occur, which lead to solidification cracking, increased susceptibility to corrosion, and a decrease in ductility and critical strength. Previous studies have shown that these defects can be caused by the accumulation of manganese and chromium in the heat affected zone (HAZ), requiring ongoing monitoring of this accumulation. A suitable method for such monitoring is laser-induced breakdown spectroscopy (LIBS), which can be used in two operating modes: calibration using standard reference samples and calibration-free. Unlike conventional quantitative LIBS measurements, which require reference samples to generate a calibration curve, calibration-free LIBS (CF-LIBS) allows chemical compositions to be determined solely from the emission spectrum of the plasma. Numerous publications show that CF-LIBS is a fast and efficient analytical method for the quantitative analysis of metal samples. In this work, CF-LIBS is applied to spectra obtained during GTAW DSS welding and the result is compared with those obtained by PLS analysis. A good correlation was found between both types of analysis, demonstrating the suitability of the CF-LIBS method for this application. The CF-LIBS method has a significant advantage over conventional LIBS due to the rapid in situ measurement of concentrations of major alloying elements without calibration procedure. This, combined with fast feedback and appropriate adjustment of welding parameters, helps prevent welding defects.
Die Pulskompression wird in der Radartechnik eingesetzt, um den Signal-Rausch-Abstand zu erhöhen. Das Ziel ist es die Entdeckungswahrscheinlichkeit eines Nutzsignals bei gleichbleibender Auflösung zu erhöhen. Durch den Einsatz von Barker Codes oder komplementären Golay Codes werden Sendesignale von Luftultraschallanwendungen pulscodiert. Dies ermöglicht in der zerstörungsfreien Prüfung die Inspektion von dickeren Bauteilen, da die Signalenergie durch zeitlich gestreckte Sendesignale bei gleicher Auflösung vergrößert wird.
In dieser Arbeit wird die Pulskompression durch die Einführung von unipolaren Sequenzen zur Pulscodierung für thermoakustische Ultraschallwandler ermöglicht. Der Signal-Rausch-Abstand wird in der Anwendung der Pulscodierung und anschließenden Filterung mit einem signalangepassten Filter in Luftultraschallmessungen mit dem thermoakustischen Wandler und Wandlern aus zellulärem Polypropylen erhöht.
SWIR luminescent nanomaterials – key chemical parameters for bright probes for in vivo bioimaging
(2024)
A current challenge for studying physio-pathological phenomena and diseaserelated processes in living organisms with non-invasive optical bioimaging is the development of bright optical reporters that enable deep tissue penetration, a high detection sensitivity, and a high spatial and temporal resolution. The focus of this project are nanomaterials, which absorb and emit in the shortwave infrared (SWIR) between ~900–2500 nm where scattering, absorption, and autofluorescence of the tissue are strongly reduced compared to the visible and NIR.
In einer Versuchsreihe im Realmaßstab wurden drei Flüssigwasserstofftanks (LH2) unterfeuert. Hierbei sollte unter anderem geklärt werden, ob es, analog zu druckverflüssigten Gasen, zu einem BLEVE (Boiling Liquid Expanding Vapor Cloud Explosion) kommen kann. Die Experimente wurden auf dem Testareal Wasserstoffsicherheit des Testgeländes Technische Sicherheit der Bundesanstalt für Materialforschung und -prüfung (BAM-TTS) im Rahmen einer Forschungskooperation zwischen der BAM und Gexcon, als Teil des SH2IFT-Programms durchgeführt. Es handelte sich um doppelwandige, vakuumisolierte Tanks von 1 m³ Volumen. Die zylindrischen Tanks unterschieden sich durch ihre Ausrichtung (horizontal oder vertikal) und das verwendete Isoliermaterial (Perlit oder Mehrschichtisolierung (MLI). Der Füllgrad der Tanks betrug bei jedem der durchgeführten Tests etwa 35-40 %. Die Brandlast wurde homogen durch ein propangasbetriebenes Brennersystem erzeugt. Gemessen wurden die Bedingungen im Behälter (Temperaturen und Druck) sowie äußere Randbedingungen und Auswirkungen beim Versagen (Wärmestrahlung, Druckwellen, Flammenballentwicklung und Fragmentierung). Mit Bolometern wurde die Wärmestrahlung gemessen, die sowohl durch das Propanfeuer als auch durch einen möglichen Feuerball/BLEVE erzeugt wurde. Zur Messung der durch das Bersten von Behältern/BLEVEs erzeugten Druckwellen wurden sog. Pencil-Probes verwendet. Des Weiteren wurden mehrere Kameras zur Überwachung der Experimente eingesetzt: Normalbildkameras, Infrarot (IR)-Kameras und Hochgeschwindigkeitskameras, sowohl bodengestützt als auch mittels einer Drohne. Zwei der untersuchten Tanks, ein horizontaler und der vertikale, die beide mit Perlit isoliert waren, hielten der Brandbelastung stand, ohne dass es zu einem Behälterversagen kam. Der mit MLI isolierte horizontale Behälter barst nach 1 Stunde und 6 Minuten und erzeugte dabei einen Feuerball, Trümmerflug und eine Druckwelle. Neben der Beschreibung der Auswirkungen eines kritischen Versagens eines LH2-Tanks sind weitere Ziele der Arbeit die Identifizierung kritischer Behälterzustände sowie die Erstellung eines umfassendes Datensatzes der Trümmer des geborstenen Tanks. Die größten Abstände für kritische Abstände ergaben sich durch Fragmentwurf. Hier sollen 3D-Scans für die Verwendung in CAD und FEM Anwendungen bereitgestellt werden. Umfassende Daten zu den Fragmentwurfweiten, -massen und -positionen wurden bereits publiziert. Damit soll die Voraussetzung geschaffen werden, um vorhandene Wurfweitenmodelle, die bisher nur für einschalige Behälter konzipiert wurden auf ihre Eignung für mehrschalige Behälter zu überprüfen oder mögliche Anpassungen anhand der realen Daten vornehmen zu können.
Zudem wurde damit begonnen die nicht geborstenen Tanks zu vermessen und zu zerlegen, um u.a. die Perlit-Schüttung auf Beeinträchtigungen durch den Transport und die Unterfeuerung zu untersuchen.
In einer Reihe von Experimenten wurden die möglichen Folgen der Freisetzung von verflüssigtem Wasserstoff (LH2) auf, bzw. unter Wasser untersucht. Die Experimente zielten darauf ab, eine unbeabsichtigte Freisetzung von LH2 (z.B. durch Schlauchabriss) insbesondere bei der Betankung eines Schiffes zu simulieren. Für verflüssigtes Erdgas (LNG) wurden dabei sog. RPT’s (rapid phase transition) nachgewiesen, bei denen die spontane Verdampfung relevante Druckwellen erzeugt. Es kann nicht ausgeschlossen werden, dass RPTs auch im Falle von LH2 möglich sind. Die Versuche wurden auf dem Testareal Wasserstoffsicherheit auf dem Testgelände Technische Sicherheit der Bundesanstalt für Materialforschung und -prüfung (BAM-TTS) in Horstwalde, im Rahmen einer Forschungskooperation zwischen der BAM und Gexcon im Rahmen des SH2IFT-Programms durchgeführt. Die LH2-Freisetzungen erfolgten direkt aus einem LH2-Tanklastwagen über eine lange, flexible, vakuumisolierte Transferleitung. Während die Freisetzung oberhalb und unterhalb der Wasseroberfläche jeweils vertikal orientiert war, wurde bei der Unterwasserfreisetzung zusätzlich eine horizontale Ausströmung, parallel zur Wasseroberfläche realisiert. Zur Bestimmung des Massenstromes, wurde ein Wägesystem unter dem Tankwagen eingesetzt. Spezielle Drucksensoren wurden verwendet, um die durch die Freisetzungsvorgänge erzeugten Stoßwellen sowohl im Wasser als auch in der Luft zu messen. Die Gaskonzentrationen über dem Wasserbecken wurden an verschiedenen Positionen gemessen. Hochgeschwindigkeits-, Infrarot- (IR) und normale Kameras wurden eingesetzt, um die Phänomenologie der Freisetzung aufzuzeichnen und das Verhalten der Gaswolke im Zeitverlauf zu verfolgen. Neben den fest installierten Systemen an Land, kamen auch Unterwasserkameras sowie eine Drohne mit Normal- und IR-Kameras zum Einsatz.
Zwei Wetterstationen wurden zur Messung von Windgeschwindigkeit, Windrichtung, Temperatur und Luftfeuchtigkeit während aller durchgeführten Tests eingesetzt. Des Weiteren kamen Bolometer zur Wärmestrahlungsmessung zum Einsatz. Zwar führten die Freisetzung zu einer hochturbulenten LH2/Wasser Mischzone, jedoch zu keinen nennenswerten Überdrücken durch RPT. Im Gegensatz dazu wurde unerwartet, aber reproduzierbar, eine Zündung der Gaswolke in freier Luft in einiger Entfernung von den Instrumenten und dem Ort der Freisetzung beobachtet. Die daraus resultierenden Gaswolkenexplosionen führten zu relevanten Überdrücken und zur Wärmeabstrahlung in die Umgebung.
Trinamic TMCL IOC is a Python package designed for controlling stepper motors connected to a Trinamic board using the TMCL language (all boards supported by PyTrinamic should now work, has been tested on the TMCM 6110 and the TMCM 6214). Since it is implementing the TMCL protocol, it should be easy to adapt to other Trinamic motor controller boards. This package assumes the motor controller is connected over a machine network via a network-to-serial converter, but the underlying PyTrinamic package allows for other connections too.
This allows the control of attached motors via the EPICS Channel-Access virtual communications bus. If EPICS is not desired, plain Pythonic control via motion_control should also be possible. An example for this will be provided in the example.ipynb Jupyter notebook.
This package leverages Caproto for EPICS IOCs and a modified PyTrinamic library for the motor board control, and interfaces between the two via an internal set of dataclasses. Configuration for the motors and boards are loaded from YAML files (see tests/testdata/example_config.yaml).
The modifications to PyTrinamic involved extending their library with a socket interface. This was a minor modification that should eventually find its way into the official package (a pull request has been submitted).
Technische Regeln im Arbeitsschutz – wie TRBS für die Betriebssicherheitsverordnung und TRGS für die Gefahrstoffverordnung – sind nicht zwingendes Recht, sondern konkretisierende Empfehlungen mit Vermutungswirkung. In Gerichtsurteilen werden sie eher selten herangezogen. Wie diese – und Branchenregelungen von Verbänden – von der Rechtsprechung diskutiert werden, zeigt ein Urteil des Verwaltungsgerichts Münster.
A novel distributed acoustic sensing technique is proposed that exploits both phase and amplitude of the Rayleigh backscattered light to quantify the environmental variation. The system employs a wavelength-scanning laser and an imbalanced Mach-Zehnder interferometer to acquire the reflection spectra and the phase of the detected light, respectively. Fading-free and low-frequency measurements are realized via the crosscorrelation of the reflection spectra. The discrete crosscorrelation is used to circumvent the nonlinear frequency sweeping of the laser. Based on the phase of the backscattered light, it is possible to quantify fast environmental variations. The whole system requires no hardware modification of the existing system and its functionality is experimentally validated. The proposed system has the potential to monitor ground motion/movement at very low frequency band like subsidence around mining areas and at high frequency band like earthquakes and vibrations induced by avalanches.
Metabolomics
(2024)
The BAM Data Store
(2023)
As a partner in several NFDI consortia, the Bundesanstalt für Materialforschung und -prüfung (BAM, German federal institute for materials science and testing) contributes to research data standardization efforts in various domains of materials science and engineering (MSE). To implement a central research data management (RDM) infrastructure that meets the requirements of MSE groups at BAM, we initiated the Data Store pilot project in 2021. The resulting infrastructure should enable researchers to digitally document research processes and store related data in a standardized and interoperable manner. As a software solution, we chose openBIS, an open-source framework that is increasingly being used for RDM in MSE communities.
The pilot project was conducted for one year with five research groups across different organizational units and MSE disciplines. The main results are presented for the use case “nanoPlattform”. The group registered experimental steps and linked associated instruments and chemicals in the Data Store to ensure full traceability of data related to the synthesis of ~400 nanomaterials. The system also supported researchers in implementing RDM practices in their workflows, e.g., by automating data import and documentation and by integrating infrastructure for data analysis.
Based on the promising results of the pilot phase, we will roll out the Data Store as the central RDM infrastructure of BAM starting in 2023. We further aim to develop openBIS plugins, metadata standards, and RDM workflows to contribute to the openBIS community and to foster RDM in MSE.
Angesichts der zunehmenden Digitalisierung und dem Einsatz datenintensiver Methodiken in der Wissenschaft stehen Forschende vor der Herausforderung, stetig wachsende Datenmengen nachvollziehbar zu dokumentieren, langfristig zu speichern und für Dritte nachnutzbar zu machen. Um diesen Anforderungen gerecht zu werden, bietet sich die Nutzung von Software-Lösungen an, welche Forschungsdatenmanagement mit der digitalen Dokumentation von Laborinventar und Experimenten in elektronischen Laborbüchern (engl. electronic lab notebooks (ELN)) verknüpfen.
Oxidative degradation processes of tetrabromobisphenol A (TBBPA), a brominated flame retardant (BFR) in wood, plastics and electronics, were investigated by electrochemistry (EC) coupled online to electrospray ionization mass spectrometry (ESI/MS). Oxidative phase I and II metabolites production was achieved using an electrochemical flow-through cell equipped with a boron doped diamond electrode. Structural elucidation and prediction of oxidative metabolism pathways of TBBPA according to type II ipso-substitution were based on retention time, m/z ratio in negative mode and fragmentation pattern. Using the data obtained through high resolution MS analysis and the identification of single electron transfer (SET) as the initial step of a two-electron oxidation provided the necessary information to propose a mechanism for the electrochemical oxidation of TBBPA. Oxidation reactions involving aromatic hydroxylation and β-scission were the main degradation observed when studying the electrochemical behavior of TBBPA. Computational chemistry experiments using density functional theory (DFT) allowed to identify mono-hydroxylated reaction intermediate and dismissed the mechanism involving two concurrent hydroxylation. TBBPA oxidation products were compared to known metabolites of its biological and environmental degradation confirming the ability of electrochemistry to simulate β-scission reactions.
This document constitutes the Strategic Research Agenda (SRA) for the European Metrology Network for Mathematics and Statistics in Metrology (EMN Mathmet). The EMN Mathmet is an alliance of European National Metrology Institutes (NMIs), Designated Institutes (DIs) and an EMN Partner that aims to strengthen research and cooperation in the field. The SRA has been developed within a European project (EMPIR 18NET05 MATHMET) to promote and support the network. The SRA was developed based on a consultation process with stakeholders and the strategies of individual NMIs and DIs, and in alignment with the EURAMET 2030 strategy.
As a key result, the SRA defines a long-term research goal: the EMN Mathmet will coordinate research to strengthen the trust in algorithms, software tools and data to underpin digital transformation. For this purpose, new emerging research topics where algorithms, software tools and data play a significant role were identified: (i) Artificial Intelligence and Machine Learning, and (ii) Computational Modelling and Virtual Metrology. The foundation for the development of these new topics is given by the traditional focus on (iii) Data Analysis and Uncertainty Evaluation. The SRA characterises the future needs and challenges in the field of mathematics and statistics in metrology and provides an outline of how the EMN Mathmet can meet these new emerging requirements.
In industrialised countries more than 80% of the time is spent indoors. Products, such as building materials and furniture, emit volatile organic compounds (VOCs), which are therefore ubiquitous in indoor air. VOC in combination may, under certain environmental and occupational conditions, result in reported sensory irritation and health complaints. Emission concentrations can become further elevated in new or refurbished buildings where the rate of air exchange with fresh ambient air may be limited due to improved energy saving aspects. A healthy indoor environment can be achieved by controlling the sources and by eliminating or limiting the release of harmful substances into the air. One way is to use (building) materials proved to be low emitting. Meanwhile, a worldwide network of professional commercial and non-commercial laboratories performing emission tests for the evaluation of products for interior use has been established. Therefore, comparability of test results must be ensured. A laboratory’s proficiency can be proven by internal and external validation measures that both include the application of suitable emission reference materials (ERM). For the emission test chamber procedure according to EN 16516, no artificial ERM is commercially available. The EU-funded EMPIR project MetrIAQ aims to fill this gap by developing new and improved ERMs. The goal is to obtain a material with a reproducible and temporally constant compound release (less than 10 % variability over 14 days). Two approaches were tested: the impregnation of porous materials with VOC, and the encapsulation of VOC in polymer microcapsules. Impregnation is performed with help of an autoclave and supercritical CO2. The encapsulation is done by interfacial polymerisation on VOC droplets. For both approaches, synthesis and/or material parameters were varied to obtain an optimal ERM. Findings about the optimisation of ERM generation, as well as performance of the best emission reference materials, will be presented.
The principles of (Hard) X-ray photoelectron spectroscopy and some application in the field of (core-shell) nanoparticles will be presented. The presentation should answer hoe to get reliable results. Furthermore, examples of the correlation between physical-chemical measurments and toxicological results are given which are crucial for the risk assessment of nanoparticles.
The processes of hydrogen reduction of silicon and germanium chlorides under the conditions of high-frequency (40.68 MHz) counteracted arc discharge stabilized between two rod electrodes are investigated. The main gas-phase and solid products of plasma-chemical transformations are determined. Thermodynamic analysis of SiCl4 + H2 and GeCl4 + H2 systems for optimal process parameters was carried out. Using the example of hydrogen reduction of SiCl4 by the method of numerical modeling, gas-dynamic and thermal processes for this type of discharge are investigated. The impurity composition of gas-phase and solid reaction products is investigated. The possibility of single-stage production of high-purity Si and Ge mainly in the form of compact ingots, as well as high-purity chlorosilanes and trichlorogermane, is shown.
Climate change and increasing demand for electricity require the use of power electronics based on new wide bandgap (WBG) compound semiconductors. Power electronics devices are used in numerous application areas to control and convert electric energy. These may include generation and distribution of renewable energy for green hydrogen, electrification of transport or 5G communication. WBG electronics have much higher efficiency than the silicon-based ones and can operate at higher power densities, voltages, temperatures and switching frequencies with low energy losses. However, defects in the semiconductors can considerably affect the performance of power electronic devices or make their operation even impossible. The presentation will show the application of spectroscopic and imaging ellipsometry as well as white light interference microscopy for defect characterisation in SiC, GaN and Ga2O3 over a wide wavelength range.
We used parameterized modelling of ellipsometric transfer parameters to determine the dielectric properties of bulk materials and thin layers. Imaging ellipsometry offers more information and is an advanced variant of optical microscopy, combining the lateral resolution of optical microscopy with the extreme sensitivity to surface and interface effects of ellipsometry. Surface topography and morphology of different types of defects were additionally investigated with imaging white light interference microscopy. Modern electronic thin film components require complex surface analysis methodologies and hybrid metrology. Hybrid measurement techniques enable fast and non-destructive traceable characterisation of thin film compound semiconductors as well as accurate detection and identification of defects. This methodical approach leads to a better understanding of the materials themselves and of the defect formation mechanisms during manufacturing.
This work aims to enable highly reproducible manufacturing of compound semiconductor power electronics as well as operation monitoring to ensure failure-safety of electronic systems in power electronic devices.
Communities worldwide face significant threats from Explosive Remnants of War (ERW), which endanger lives and restrict land usage. From forest fires due to ERWs or in ERW-contaminated areas (e.g., in Jüterbog, Germany) to broader global challenges (e.g., the Ukrainian conflict), the need for efficient detection and removal of these remnants, especially for humanitarian demining, is paramount. Traditional methods, like manual demining, have severe limitations in safety and efficiency. Here, we introduce an innovative solution to these challenges: “Chemosensing Smart Dust.” This technology uses chemoselective dyes that change their fluorescence properties when exposed to explosives like 2,4,6-trinitrotoluene (TNT). Fluorescence-based detection offers superior sensitivity, reduced likelihood of false positives, and enhanced accuracy of explosive detection. Drones, equipped with excitation lasers or LEDs, deploy the Chemosensing Smart Dust over areas of interest and actively detect the fluorescence changes using high-resolution cameras, offering a rapid, safe, and adaptable detection method. Beyond demining, this innovative approach has potential applications in monitoring polluted areas, homeland security, and emergency response.
Gasquellenlokalisierungen (Gas Source Localization, GSL) tragen dazu bei, die Folgen von Industrieunfällen und Naturkatastrophen zu mildern. Während die GSL, wenn von Menschen durchgeführt, gefährlich und zeitaufwändig ist, können Schwärme von wendigen und kostengünstigen Nanodrohnen die Effizienz und Sicherheit der Suche erhöhen. Da die geringe Nutzlast von Nanodrohnen die Sensor- und Rechenressourcen einschränkt, werden Strategien zur Koordination des Roboterschwarms verwendet, die von biologischen Schwärmen, wie Kolonien sozialer Insekten, inspiriert sind. Die meisten Schwarm-GSL-Strategien verwenden das Maximum der Gaskonzentrationsverteilung zur Schätzung der Gasquellenposition. Experimente legen jedoch nahe, dass die Intermittenz der Gasverteilung vielversprechender ist. In diesem Beitrag wird eine neuartige GSL-Strategie für Schwärme vorgestellt, die auf Pheromonkommunikation und Intermittenz der Gasverteilung basiert. Die Agenten, d.h. die Nanodrohnen, emittieren Pheromonmarker in einer virtuellen Umgebung, wenn sie eine neue Gaswolke feststellen. Die Agenten werden durch virtuelle Kräfte gesteuert und nutzen abwechselnd das Wissen des Schwarms, indem sie dem Pheromongradienten folgen, oder erkunden den Suchraum, indem sie einen Zufallspunkt ansteuern. Zur Kollisionsvermeidung werden die Agenten durchgehend von anderen Agenten und Wänden abgestoßen. Die Strategie wurde auf drei Nanodrohnen implementiert und durch ein Experiment in einem Innenraum mit einer statischen Gasquelle validiert. Die Ergebnisse zeigen eine Verbesserung gegenüber maximabasierten Verfahren und geringe Lokalisierungsfehler in Windrichtung.
An overview of personal experience with laser-induced plasma (LIP) will be given. The combination of LIP with laser-induced fluorescence, atomic absorption, Raman spectroscopy and spatial heterodyne spectroscopy for elemental and isotopic analysis will be discussed. Unusual applications of LIP will be covered, such as LIP-based lasers and LIP-based chemical reactors.
This course will provide an introduction to plasma diagnostic techniques. The major focus of the course will be on the discussions of the practical procedures as well as the underlying physical principles for the measurements of plasma fundamental characteristics (e.g., temperatures, thermodynamic properties, and electron number density). Particular emphasis will be placed on inductively coupled plasma–atomic emission spectrometry, but other analytical plasmas will also be used as examples when appropriate. Selected examples on how one can manipulate the operating conditions of the plasma source, based on the results of plasma diagnostic measurements, to improve its performance used for spectrochemical analysis will also be covered. Topics to be covered include thermal equilibrium, line profiles, temperatures, electron densities, excitation processes, micro reactions, pump and probe diagnostics, tomography,
temporal and spatial resolution. Basis of plasma computer modeling will be presented.
The deployment of machine learning (ML) and deep learning (DL) in structural health monitoring (SHM) faces multiple challenges. Foremost among these is the insufficient availability of extensive high-quality data sets essential for robust training. Within SHM, high-quality data is defined by its accuracy, relevance, and fidelity in representing real-world structural scenarios (pristine as well as damaged). Although methods like data augmentation and creating synthetic data can add to datasets, they frequently sacrifice the authenticity and true representation of the data. Sharing real-world data encapsulating true structural and anomalous scenarios offers promise. However, entities are often reluctant to share raw data, given the potential extraction of sensitive information, leading to trust issues among collaborating entities.
Our study introduces a novel methodology leveraging Federated Learning (FL) to navigate these challenges. Within the FL framework, models are trained in a decentralized manner across different entities, preserving data privacy. In our research, we simulated several scenarios and compared them to traditional local training methods. Employing guided wave (GW) datasets, we distributed the data among different parties (clients) using IID (independent, identically distributed or in other words, statistically identical) mini batches of dataset, as well as non-IID configurations. This approach mirrors real-world data distribution among varied entities, such as hydrogen refueling stations.
In our methodology, the initial round involves individualized training for each client using their unique datasets . Subsequently, the model parameters are sent to the FL server, where they are averaged to construct a global model. In the second round, this global model is disseminated back to the clients to aid in predictive tasks. This iterative process continues for several rounds to reach convergence.
Our findings distinctly highlight the advantages of FL over localized training, evidenced by a marked improvement in prediction accuracy . This research underscores the potential of FL in GW-based SHM, offering a remedy to similar challenges tied to data scarcity in other SHM approaches and paving the way for a new era of collaborative, data-centric monitoring systems.
Harmonized and interoperable national Quality Infrastructure (QI) systems are essential for fostering cooperation, promoting mutual trust, and facilitating trade. The true potential of the QI is realized when its elements and actors are seamlessly integrated into a cohesive digital QI ecosystem. Recent developments towards industrial international data spaces enable such an ecosystem but require the integration of QI principles. Recognizing the lack of such a platform, Quality-X aims at setting the stage for the implementation of a QI ecosystem in international data spaces (IDS), GAIA-X and related German and European projects dedicated to secure data sharing. Quality-X is not about the construction of a platform; it is the creation of an inclusive QI ecosystem with harmonized interfaces. Instead of imposing rigid data structures, it prioritizes interoperability. Through the utilization of Decentralized Identifiers (DIDs), Verifiable Credentials, and Identity Hubs, Quality-X seeks seamless interactions across diverse service provider systems.
This white paper introduces the concept and vision of Quality-X and discusses the general prerequisites for integrating QI processes within data spaces. Further on, we introduce existing testbeds, which will serve as an experimental proving ground for exploring various use cases related to the implementation of the vision of a QI-Digital.
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Harmonisierte und interoperable nationale Qualitätsinfrastrukturen (QI) sind für die Förderung der Zusammenarbeit, des gegenseitigen Vertrauens und der Erleichterung des Handels unerlässlich. Das wahre Potenzial der QI kommt zum Tragen, wenn ihre Elemente und Akteure nahtlos in ein kohärentes digitales QI-Ökosystem integriert werden. Die jüngsten Entwicklungen hin zu industriellen internationalen Datenräumen ermöglichen ein solches Ökosystem, erfordern jedoch die Integration von QI-Prinzipien. Angesichts des Fehlens einer solchen Plattform zielt Quality-X darauf ab, die Voraussetzungen für die Umsetzung eines QI-Ökosystems in internationalen Datenräumen (IDS), GAIA-X und verwandten deutschen und europäischen Projekten zum sicheren Datenaustausch zu schaffen. Bei Quality-X geht es nicht um den Aufbau einer Plattform, sondern um die Schaffung eines umfassenden QI-Ökosystems mit harmonisierten Schnittstellen. Anstatt starre Datenstrukturen aufzuerlegen, steht die Interoperabilität im Vordergrund. Durch die Verwendung von dezentralen Identifikatoren (DIDs), überprüfbaren Berechtigungsnachweisen und Identitäts-Hubs strebt Quality-X eine nahtlose Interaktion zwischen verschiedenen Systemen von Dienstleistern an.
Dieses Whitepaper stellt das Konzept und die Vision von Quality-X vor und erörtert die allgemeinen Voraussetzungen für die Integration von QI-Prozessen in Datenräumen. Darüber hinaus stellen wir bestehende Testbeds vor, die als experimentelles Versuchsfeld für die Erforschung verschiedener Anwendungsfälle im Zusammenhang mit der Umsetzung der Vision einer QI-Digital dienen sollen.
The different defect types on SiC samples are measured with various measurement methods including optical and tactile methods. The defect types investigated include particles, carrots and triangles and they are analyzed with imaging ellipsometry, coherent Fourier scatterometry and atomic force microscopy. Each of these methods measures different properties of the defects and they all together contribute to a complete analysis.
Until the 1980s radiography was used to inspect civil structures in case of special demands and showed a much better resolution than other NDT techniques. However, due to safety concerns and cost issues, this method is almost never used anymore. Meanwhile, non-destructive techniques such as ultrasound or
radar have found regular, successful practical application but sometimes suffer from limited resolution and accuracy, imaging artefacts or restrictions in detecting certain features when applied to reinforced or prestressed concrete inspection.
Muon tomography has received much attention recently. Muons are particles generated naturally by cosmic rays in the upper atmosphere and pose no risk to humans. Novel detectors and tomographic imaging algorithms have opened new fields of application, mainly in the nuclear sector, but also in spectacular cases such as the Egyptian pyramids.
As a first step towards practical application in civil engineering and as a proof of concept we used an existing system to image the interior of a reference reinforced 600 kg concrete block. Even with a yet not optimized setup for this kind of investigation, the muon imaging results have been at least of similar quality compared to ultrasonic and radar imaging, potentially even better. Recently, the research was expanded to more realistic testing problems such as the detection of voids in certain structural elements. However, before practical implementation, more robust, mobile, and affordable detectors would be required as well as user-Friendly imaging and simulation software.
Ergot alkaloids form a toxicologically relevant group of mould toxins (mycotoxins) that are among the most common contaminants of foodstuff and animal feed worldwide. Reliable controls are essential to minimise health risks and economic damage. Due to their toxicological relevance, EU limit values for 12 priority ergot alkaloids have been introduced for the first time in 2022 and range from 500 μg/kg in rye milling products down to 20 ug/kg Processed cereal-based foods for infants and young children[1]. High-performance liquid chromatography - mass spectrometry is used to quantify low concentrations of ergots in food, however the European standard analytical procedure cannot be applied due to the lack of isotopically labelled reference standards.
The complex structure of the ergot alkaloids makes a total synthesis extremely challenging, expensive and time-consuming. Therefore, we are focusing on different semi-preparative methods (electrochemistry, organic synthesis, heterogeneous catalysis) to specifically N-demethylate the C8 carbon atom of the lysergic acid moiety. The norergot alkaloid formed is then isotopically labelled using an electrophilic methyl source, i.e. iodomethane or dimethyl sulphate to obtain the specific isotopic labelled ergot alkaloid. Initial experiments have shown that N-demethylation of the ergot alkaloid ergotamine is possible by both electrochemical and wet-chemical organic synthesis. The next step is to improve the previously determined reaction conditions to enable the synthesis of norergotamine on a mg scale for further reactions.
Ellipsometry is a very powerful tool used for accurate material investigation in a wide wavelength range. It is a non-destructive and fast method. Imaging ellipsometry as a combination of optical microscopy and ellipsometry enables spatially resolved measurements when determining the layer thickness and dielectric properties of thin layers. It is known for its high polarisation sensitivity and high contrast for the surface structures. In this contribution we show the application of the imaging ellipsometry for detection of defects in energy materials and quality validation of possible reference materials for nano-electronics.
Defects in wide bandgap semiconductors, in homoepitaxial SiC and heteroepitaxial GaN layers on transparent SiC substrates, can be successfully detected and classified by means of imaging ellipsometry. Correlation of imaging ellipsometry results with results from complementary techniques such as white light interference microscopy as well as atomic force microscopy contribute to understanding of surface topography and defect formation mechanisms. We discuss the potential of different methods for analysing ellipsometric map data for monitoring the defect densities.
Electric properties of materials at the nanoscale can be investigated by means of scanning probe microscopy methods such as scanning microwave microscopy and conductive atomic force microscopy. However, development of new robust and easy-to-use calibration methods and calibration standards is essential to increase the traceability of these methods and allow their broad application in industry. We show how imaging spectroscopic ellipsometry can be used for development and monitoring of processing quality of patterned reference samples based on indium tin oxide (ITO) layer with different thickness and conductivity.
The built infrastructure ages and requires regular inspection and, when in doubt, monitoring. To ensure that older concrete bridges showing signs of deterioration can be used safely, several innovative monitoring tools have been introduced, including but not limited to optical, fiber-optic, or acoustic emission techniques. However, there are gaps in the portfolio. A sensing technique that covers a wide range of damage scenarios and larger volumes, while still being sensitive and specific, would be beneficial.
For about 15 years, research has been conducted on ultrasonic monitoring of concrete structures that goes beyond the traditional ultrasonic pulse velocity test (PV test), mostly using a very sensitive data evaluation technique called coda wave interferometry. At BAM we have developed sensors and instrumentation specifically for this method.
We have instrumented a 70-year-old, severely damaged prestressed concrete bridge in Germany in addition to a commercial monitoring system. We have now collected data for almost 3 years. We can show that we can provide information about the stress distribution in the bridge. We have also been able to confirm that there has been no significant additional damage to the bridge since the installation.
X-rays without X-rays: Can muon tomography provide pictures from within concrete and other objects?
(2024)
Until the 1980s radiography was used to inspect civil structures in case of special demands and showed a much better resolution than other NDT techniques. However, due to safety concerns and cost issues, this method is almost never used anymore. Meanwhile, non-destructive techniques such as ultrasound or
radar have found regular, successful practical application but sometimes suffer from limited resolution and accuracy, imaging artefacts or restrictions in detecting certain features when applied to reinforced or prestressed concrete inspection.
Muon tomography has received much attention recently. Muons are particles generated naturally by cosmic rays in the upper atmosphere and pose no risk to humans. Novel detectors and tomographic imaging algorithms have opened new fields of application, mainly in the nuclear sector, but also in spectacular cases such as the Egyptian pyramids.
As a first step towards practical application in civil engineering and as a proof of concept we used an existing system to image the interior of a reference reinforced 600 kg concrete block. Even with a yet not optimized setup for this kind of investigation, the muon imaging results have been at least of similar quality compared to ultrasonic and radar imaging, potentially even better. Recently, the research was expanded to more realistic testing problems such as the detection of voids in certain structural elements. However, before practical implementation, more robust, mobile, and affordable detectors would be required as well as user-Friendly imaging and simulation software.
The talk also discusses other applications , such as volcanology, mining and geothermal exploration.
Die Thermografie ist trotz ihrer ausgereiften wissenschaftlichen und technologischen Grundlagen ein noch relativ junges Mitglied in der Familie der zerstörungsfreien Prüfverfahren. Sie erschließt sich aufgrund einer Reihe von Vorzügen eine wachsende Anwendungsgemeinde. Für eine weitere Verbreitung insbesondere im industriellen Kontext spielen Normen, Standards und technische Regeln eine wichtige Rolle. In diesem Beitrag wird der aktuelle Stand der Normung in Deutschland vorgestellt. Wir zeigen, welche Normen und technischen Regeln es für die Thermografie in Deutschland und international gibt und wir wagen einen Blick in die Zukunft. Darüber hinaus lebt auch die Normierungsarbeit von der Beteiligung durch interessierte Kreise. Dies können industrielle und akademische Anwender*innen, Hersteller*innen von Geräten, Forschungseinrichtungen oder Dienstleistungsunternehmen sein. Sie können gern Ihre Bedarfe bezüglich Normierungsprojekten mitbringen und/oder direkt an die Autoren senden.
Die Thermografie ist trotz ihrer ausgereiften wissenschaftlichen und technologischen Grundlagen ein noch relativ junges Mitglied in der Familie der zerstörungsfreien Prüfverfahren. Sie erschließt sich aufgrund einer Reihe von Vorzügen eine wachsende Anwendungsgemeinde. Für eine weitere Verbreitung insbesondere im industriellen Kontext spielen Normen, Standards und technische Regeln eine wichtige Rolle. In diesem Beitrag wird der aktuelle Stand der Normung in Deutschland vorgestellt. Wir zeigen, welche Normen und technischen Regeln es für die Thermografie in Deutschland und international gibt und wir wagen einen Blick in die Zukunft. Darüber hinaus lebt auch die Normierungsarbeit von der Beteiligung durch interessierte Kreise. Dies können industrielle und akademische Anwender*innen, Hersteller*innen von Geräten, Forschungseinrichtungen oder Dienstleistungsunternehmen sein. Sie können gern Ihre Bedarfe bezüglich Normierungsprojekten mitbringen und/oder direkt an die Autoren senden.
The poster describes how molecular biology, especially recombinant expression of proteins, in this case, an enzyme, can underpin developments of biosensors. The fumonisin oxidase produced by the fungus Aspergillus niger (AnFAO) is highly selective for the toxic mycotoxin fumonisin. Its structure and sequence has been published before. We took this information and expressed the enzyme in E. coli. The enzyme proved active and could be employed in an amperometric biosensor for the detection of the mycotoxin.
Immunoassays, based on analyte recognition and capture by highly selective antibodies with high affinity, are intensively used in all fields of laboratory diagnostics and in screen-ings of food and environmental samples. Yet, for many purposes, online sensors are desir-able, and, in principle, all immunoassay tech-niques can be integrated into lab-on-chip set-ups that can work as continuous monitoring devices. Yet, the challenge remains to devel-op platforms and elements that are fit for a quick transition of laboratory microplate as-says to immunosensors.
Interaction of L-phenylalanine with Magnetic Metal-Organic Framework: Electrochemical Analysis
(2023)
As the basic units of proteins, the importance of amino acids in organisms is self-evident and therefore detection of the concentration of amino acids is significant in monitoring human health. For example, patients suffering from phenylketonuria should be able to monitor their phenylalanine (PHE) level in a rapid, decentralized, and affordable manner to avoid high levels of PHE in the body which can lead to a profound and irreversible mental disability. Herein, a magnetic and conductive Iron based metal–organic framework (MOF) is prepared using tetrahydroxyquinone and benzene dicarboxylic acid, dual ligands. The uncoordinated carboxyl groups provided the binding sites for PHE. Physicochemical properties of MOF were characterized by XRD, SEM, DLS and FTIR analyses. The effects of different operational parameters: pH (2, 4, 6, 7.2, 8.6, 10, 12), contact time and MOF concentration were optimized for best properties using cyclic voltametric technique. The 10 µl of 1mg/ml MOF (pH 8.6) in deionized water was used as working electrode on screen-printed gold electrode. The presence of new well-defined oxidation and reduction current peak in electrochemical signal of MOF-modified SPGE sensor vs. Ag/AgCl in phosphate buffer solution (pH 1.9) remarks the quantification of PHE. The analytical calibration curve for PHE showed a linear response with concentration in the oxidation and reduction peak current range from 50 to 1000 µM, with a limit of detection (LOD) of 35.16 µM.
Ergot alkaloids form a toxicologically relevant group of mould toxins (mycotoxins) that are among the most common contaminants of food and animal feed worldwide. Reliable controls are essential to minimise health risks and economic damage. Due to their toxicological relevance, EU limit values for 12 priority ergot alkaloids have been introduced for the first time in 2022 and range from 500 µg/kg in rye milling products down to 20 ug/kg Processed cereal-based foods for infants and young children[1]. High-performance liquid chromatography - mass spectrometry is used to quantify low concentrations of ergots in food, however the European standard analytical procedure cannot be applied due to the lack of isotopically labelled reference standards.
The complex structure of the ergot alkaloids makes a total synthesis extremely challenging, expensive and time-consuming. Therefore, we are focusing on different semi-preparative methods (electrochemistry, organic synthesis, heterogeneous catalysis) to specifically N-demethylate the C8 carbon atom of the lysergic acid moiety. The norergot alkaloid formed is then isotopically labelled using an electrophilic methyl source, i.e. iodomethane or dimethyl sulphate to obtain the specific isotopic labelled ergot alkaloid. Initial experiments have shown that N-demethylation of the ergot alkaloid ergotamine is possible by both electrochemical and wet-chemical organic synthesis. The next step is to adapt the previously determined reaction conditions to enable the synthesis of norergotamine on a mg scale.
To evaluate the durability of new alternative cement compositions, it is important to examine the internal transport of moisture through these materials. For this purpose, mortars were prepared from different types of cement and capillary suction experiments were carried out. The moisture transport was studied with an NMR tomograph and compared with weight measurements. With the tomograph, the total moisture input could be determined, as well as the moisture content within the samples non-destructively and spatially resolved. This allows precise observation of the moisture fronts. The tomograph was also used to determine the capillary transport coefficient.
Im Vorhaben „MARKERIA - Bestimmung von anthropogenen Markerkonzentrationen für die SARS-CoV-2 Quantifizierung mittels eines Hochdurchsatzverfahrens (ELISA)“ geht es um die Bestimmung von Carbamazepin, Diclofenac, Koffein und einer endogenen Gallensäure als potentielle Marker für die Kalibrierung der SARS-CoV-2 Quantifizierung im Abwasser. Es ist ein Teilvorhaben des übergeordneten Projektes ESI-CorA und wird von der BAM im Auftrag des Umweltbundesamtes durchgeführt. Der Vortrag wurde gehalten im Rahmen der Abschlussveranstaltung des Projektes ESI-CorA. Er gab den Projektstand wieder, den UBA und BAM bis dahin erzielt hatten, das SARS-CoV-2 Virus und die anthropogenen Marker in 20 Kläranlagenzuläufen zu bestimmen und miteinander zu korrelieren.
Im Vorhaben „MARKERIA - Bestimmung von anthropogenen Markerkonzentrationen für die SARS-CoV-2 Quantifizierung mittels eines Hochdurchsatzverfahrens (ELISA)“ geht es um die Bestimmung von Carbamazepin, Diclofenac, Koffein und einer endogenen Gallensäure als potentielle Marker für die Kalibrierung der SARS-CoV-2 Quantifizierung im Abwasser. Der Vortrag wurde gehalten im Rahmen der 22. Sitzung des Begleitkreises des übergeordneten Projektes ESI-CorA. Er gab den Projektstand wieder, den die BAM bis dahin erzielt hatte. Die Marker waren in sämtlichen untersuchten Abwasser-Zulaufproben enthalten und zeigten spezifische Trends. Weitere Korrelationen müsse die weitergehende Datenauswertung ergeben.A
The European Commission has identified Advanced Manufacturing and Advanced Materials as two of six Key Enabling Technologies (KETs). By fully utilizing these KETs, advanced and sustainable economies will be created. It is considered that Metrology is a key enabler for the advancement of these KETs. EURAMET, the association of metrology institutes in Europe, has strengthened the role of Metrology for these KETs by enabling the creation of a European Metrology Network for Advanced Manufacturing. The EMN is made up of National Metrology Institutes (NMIs) and Designated Institutes (DIs) from across Europe and was formally established in October 2021. The EMN aims to provide a high-level coordination of European metrology activities for the Advanced Materials and Advanced Manufacturing community.
The EMN itself is organized in three sections representing the major stages of the manufacturing chain: 1) Advanced Materials, 2) Smart Manufacturing Systems, and 3) Manufactured Components & Products. The EMN for Advanced Manufacturing is engaging with stakeholders in the field of Advanced Manufacturing and Advanced Materials (Large companies & SMEs, industry organisations, existing networks, and academia), as well as the wider metrology community (including TCs) to provide input for the preparation of a Strategic Research Agenda (SRA) for Metrology for Advanced Manufacturing.
This presentation will describe the progress in the development of the SRA by the EMN for Advanced Manufacturing. The metrology challenges identified across the various key industrial sectors, which utilise Advanced Materials and Advanced Manufacturing will be presented.
The EMN for Advanced Manufacturing is supported by the project JNP 19NET01 AdvManuNet.
Mykotoxine sind sekundäre Stoffwechselprodukte, die von Schimmelpilzen gebildet werden. Sie sind unvermeidliche Lebensmittelkontaminanten und stellen daher ein ernstes Gesundheitsrisiko für Mensch und Tier dar. Aus diesem Grund hat die Europäische Kommission Vorschriften erlassen, die Höchstwerte für Mykotoxine in bestimmten Lebensmitteln vorsehen. Um die gesetzlichen Grenzwerte einzuhalten, müssen in der Lebensmittelindustrie Mykotoxinanalysen der eingehenden Waren durchgeführt werden.
Gegenwärtig umfasst die Analyse zeitaufwändige Probenvorbereitungsschritte, denen in der Regel eine chromatographische Analyse folgt.
Immunoassays ermöglichen eine Vor-Ort-Analyse, aber in der Regel sind für feste Lebensmittelproben lösungsmittelbasierte Extraktionsschritte erforderlich. Da Immunoassays in der Regel nicht mit den hohen Lösungsmittelkonzentrationen kompatibel sind, die üblicherweise für die Mykotoxinextraktion verwendet werden (z.B. Acetonitril oder Methanol), war es das Ziel dieser Arbeit, ein Extraktionsverfahren für die Mykotoxine Deoxynivalenol und Ochratoxin A aus Weizenmehl und Getreide zu entwickeln, das für Immunoassays und -sensoren verwendet werden kann. Vier verschiedene Lösungsmittel, Methanol (10 %), Ethanol (5 %) und Acetonitril (10 %) sowie Milli-Q-Wasser wurden für die Extraktion des Analyten Deoxynivalenol getestet. Um negative Umweltaspekte zu vermeiden und aufgrund der vergleichbaren Extraktionseffizienz von Milli-Q-Wasser gegenüber den anderen Lösungsmitteln, wurde Milli-Q-Wasser als Extraktionslösung im optimierten Extraktionsprotokoll für Deoxynivalenol verwendet.
Es wurden verschiedene Extraktionsbedingungen, wie die Extraktionszeit, das Lösungsmittel-Feststoff-Verhältnis, der Filtrationsschritt, der Zentrifugationsschritt sowie die Zusammensetzung des Wassers untersucht. Auf der Grundlage der Ergebnisse wurde ein Extraktionsprotokoll festgelegt, mit dem Wiederfindungsraten in einem Bereich von x bis x erzielt wurden. Das Extraktionsprotokoll umfasste die Extraktion von 2 g Weizenmehl mit 40 ml Milli-Q-Wasser für 30 Minuten, die anschließende Zentrifugation bei 3000 U/min für 15 Minuten bei 4 °C und die Filtration des Überstands.
The European Commission has identified Advanced Manufacturing and Advanced Materials as two of six Key Enabling Technologies (KETs). It is considered that Metrology is a key enabler for the advancement of these KETs. Consequently, EURAMET, the association of metrology institutes in Europe, has strengthened the role of Metrology for these KETs by enabling the creation of a European Metrology Network (EMN) for Advanced Manufacturing. The EMN is comprised of National Metrology Institutes (NMIs) and Designated Institutes (DIs) from across Europe and was formally established in October 2021. The aim of the EMN is to provide a high-level coordination of European metrology activities for the Advanced Manufacturing community.
The EMN itself is organized in three sections representing the major stages of the manufacturing chain: 1) Advanced Materials, 2) Smart Manufacturing Systems, and 3) Manufactured Components & Products. The EMN for Advanced Manufacturing is engaging with stakeholders in the field of Advanced Manufacturing (large companies & SMEs, industry organisations, existing networks, and academia), as well as the wider Metrology community, including Technical Committees, to provide input for the Strategic Research Agenda (SRA) on Metrology for Advanced Manufacturing.
This contribution will give an overview about the first version of the SRA prepared by the EMN for Advanced Manufacturing
Laser powder bed fusion is one of the most promising additive manufacturing techniques for printing complex-shaped metal components. However, the formation of subsurface porosity poses a significant risk to the service lifetime of the printed parts. In-situ monitoring offers the possibility to detect porosity already during manufacturing. Thereby, process feedback control or a manual process interruption to cut financial losses is enabled.
Short-wave infrared thermography can monitor the thermal history of manufactured parts which is closely connected to the probability of porosity formation. Artificial intelligence methods are increasingly used for porosity prediction from the obtained large amounts of complex monitoring data. In this study, we aim to identify the potential and the challenges of deep-learning-assisted porosity prediction based on thermographic in-situ monitoring.
Therefore, the porosity prediction task is studied in detail using an exemplary dataset from the manufacturing of two Haynes282 cuboid components. Our trained 1D convolutional neural network model shows high performance (R2 score of 0.90) for the prediction of local porosity in discrete sub-volumes with dimensions of (700 x 700 x 40) μm³.
It could be demonstrated that the regressor correctly predicts layer-wise porosity changes but presumably has limited capability to predict differences in local porosity. Furthermore, there is a need to study the significance of the used thermogram feature inputs to streamline the model and to adjust the monitoring hardware. Moreover, we identified multiple sources of data uncertainty resulting from the in-situ monitoring setup, the registration with the ground truth X-ray-computed tomography data and the used pre-processing workflow that might influence the model’s performance detrimentally.
The contamination of drinking water with pharmaceuticals represents a severe health risk. In order to monitor the drinking water quality continuously and enable quick countermeasures in case of contamination, novel sensors are required. Here, immunoanalytical methods based on the binding of the analyte to highly selective antibodies can be helpful. In this work, magnetic bead-based immunoassays (MBBAs) have been developed for the detection of two relevant contaminants of drinking water: diclofenac (DCF) and amoxicillin (AMX). In case of the latter, not only the parent drug is of interest in the risk assessment but also its hydrolysis products (HPs). In a comprehensive study, the influence of external factors and intrinsic properties of the water on the rate of hydrolysis was investigated. As the hydrolysis of AMX further impacts the recognition by the antibody, a strategy to analyze samples with unknown hydrolysis degree of AMX was established employing the enzyme β-lactamase in sample preparation. For both analytes, the MBBAs enable the fast quantification with results obtained in less than one hour which represents a major improvement over conventional immunoassays like the enzyme-linked immunosorbent assay (ELISA). Compared to the respective ELISAs with the same antibodies, the MBBAs further exhibit improved analytical parameters such as a broader measurement range and lower limits of detection. Due to the magnetic properties of the beads that serve as a platform for the assays, they are suitable for the mobile and automated detection at the point-of-care. An integrated diagnostic system was designed in which electrochemical detection with chronoamperometry on a microfluidic chip allows for further miniaturization of the system to enable monitoring of the drinking water quality online in water supply pipes at waterworks.
Development of electrochemical antibody-based and enzymatic assays for mycotoxin analysis in food
(2023)
Electrochemical methods are promising to meet the demand for easy-to-use devices monitoring key parameters in the food industry. Many companies run own lab procedures for mycotoxin analysis, but it is a major goal to simplify the analysis. The enzyme-linked immunosorbent assay using horseradish peroxidase as enzymatic label, together with 3,3',5,5' tetramethylbenzidine (TMB)/H2O2 as substrates allows sensitive mycotoxin detection with optical detection methods. For the miniaturization of the detection step, an electrochemical system for mycotoxin analysis was developed. To this end, the electrochemical detection of TMB was studied by cyclic voltammetry on different screen-printed electrodes (carbon and gold) and at different pH values (pH 1 and pH 4). A stable electrode reaction, which is the basis for the further construction of the electrochemical detection system, could be achieved at pH 1 on gold electrodes. An amperometric detection method for oxidized TMB, using a custom-made flow cell for screen-printed electrodes, was established and applied for a competitive magnetic bead-based immunoassay for the mycotoxin ochratoxin A. A limit of detection of 150 pM (60 ng/L) could be obtained and the results were verified with optical detection. The applicability of the magnetic bead-based immunoassay was tested in spiked beer using a handheld potentiostat connected via Bluetooth to a smartphone for amperometric detection allowing to quantify ochratoxin A down to 1.2 nM (0.5 µg/L). Based on the developed electrochemical detection system for TMB, the applicability of the approach was demonstrated with a magnetic bead-based immunoassay for the ergot alkaloid, ergometrine. Under optimized assay conditions a limit of detection of 3 nM (1 µg/L) was achieved and in spiked rye flour samples ergometrine levels in a range from 25 to 250 µg/kg could be quantified. All results were verified with optical detection. The developed electrochemical detection method for TMB gives great promise for the detection of TMB in many other HRP-based assays. A new sensing approach, based on an enzymatic electrochemical detection system for the mycotoxin fumonisin B1 was established using an Aspergillus niger fumonisin amine oxidase (AnFAO). AnFAO was produced recombinantly in E. coli as maltose-binding protein fusion protein and catalyzes the oxidative deamination of fumonisins, producing hydrogen peroxide. It was found that AnFAO has a high storage and temperature stability. The enzyme was coupled covalently to magnetic particles, and the enzymatically produced H2O2 in the reaction with fumonisin B1 was detected amperometrically in a flow injection system using Prussian blue/carbon electrodes and the custom-made wall-jet flow cell. Fumonisin B1 could be quantified down to 1.5 µM (≈ 1 mg/L). The developed system represents a new approach to detect mycotoxins using enzymes and electrochemical methods.
The European Commission has identified Advanced Manufacturing and Advanced Materials as two of six Key Enabling Technologies (KETs). It is considered that Metrology is a key enabler for the advancement of these KETs. Consequently, EURAMET, the association of metrology institutes in Europe, has strengthened the role of Metrology for these KETs by enabling the creation of a European Metrology Network (EMN) for Advanced Manufacturing. The EMN is comprised of National Metrology Institutes (NMIs) and Designated Institutes (DIs) from across Europe and was formally established in October 2021. The aim of the EMN is to provide a high-level coordination of European metrology activities for the Advanced Manufacturing community.
The EMN itself is organized in three sections representing the major stages of the manufacturing chain: 1) Advanced Materials, 2) Smart Manufacturing Systems, and 3) Manufactured Components & Products. The EMN for Advanced Manufacturing is engaging with stakeholders in the field of Advanced Manufacturing (large companies & SMEs, industry organisations, existing networks, and academia), as well as the wider Metrology community, including Technical Committees, to provide input for the Strategic Research Agenda (SRA) on Metrology for Advanced Manufacturing.
This contribution will give an overview about the first version of the SRA prepared by the EMN for Advanced Manufacturing.
Concrete is the most important human-made material because it serves as the basis of our built environment. Since the properties of concretes are dominated by their key compound, cement, devising a way to determine the cement’s origin, known as provenancing, is of great importance for answering different provenance-related questions. These questions range from liability issues when damage occurs to concrete-made structures, to forensic investigations where cement particles are found at crime scenes. This thesis showcases the use of isotope techniques to answer these provenance-related questions. Conventional 87Sr/86Sr and 143Nd/144Nd isotope and elemental ratios consisting of Ca, Sr, K, Mn, Mg, and Ti are used as fingerprints for ordinary Portland cement (OPC) provenancing. The first part of this thesis describes research previously conducted in fingerprinting cementitious materials, providing an overview of provenance studies of cement and the main approaches commonly used. In several studies, the origin of clinker for certain locations was determined via different approaches. However, clinker is an intermediate product, which is available only at the production site and therefore, the practical relevance is rather limited. Furthermore, the use of Sr and Nd isotope systems, together with elemental fingerprints are presented as state of the art in the field. Therein, the principal approach for the overall study is sketched. For the second part of the study, a sample preparation technique for Sr isotopes in Portland cement was developed. The aim was to find the most appropriate sample preparation procedure for cement provenancing and selection was realised by comparing the 87Sr/86Sr isotope ratios of differently treated OPCs with those of the corresponding clinkers. Based on these findings, the third part of the study focused on the measurements of Sr and Nd isotope ratios, together with elemental ratios, to establish a reliable technique for OPC provenancing. The outcomes of this final stage are then used to establish a procedure for fingerprinting cements. This becomes possible with the use of Sr and Nd isotope ratios and geochemical profiles. To perform isotope ratio measurements and obtain reliable data, it was necessary to establish a quality control procedure. Thus, an interlaboratory comparison (ILC) was organised to characterise 87Sr/86Sr isotope ratios in geological and industrial reference materials by applying the conventional method for 87Sr/86Sr isotope ratios. As reference material, four cements (VDZ 100a, VDZ 200a, VDZ 300a, IAG OPC-1), one limestone (IAG/CGL ML-3) and one slate (IAG OU-6) were selected, thus covering a wide range of Sr isotope signatures.
Sr isotope ratio analysis
(2023)
Pb isotope ratio analysis
(2023)
Detector deadtime
(2023)
Isotope Ratio Analysis
(2023)
The through-life management of our constantly ageing infrastructure is a basic requirement in order to ensure their structural safety and serviceability. Each structure experiences deterioration processes with time leading to a decrease of structural safety and serviceability. The design of new structures considers the expected deterioration for a defined period, the design service life. However, a frequent survey of structural safety controlling structural condition should be mandatory and a maintenance plan should be an integral part of the design. In addition, many structures have exceeded their design service life already or are very close to it leading to an increasing demand for condition assessment. On the one hand, assumptions made during design are not valid any more due to change of the loads, e.g., increasing traffic loads in terms of number and weights. On the other hand, design codes evolved over time in such a way that existing structures do not comply with today’s standards. In all these cases, the through-life management is an important tool to maintain the accessibility of existing structures with known reliability.
In line with the new Model Code for Concrete Structures, which includes guidance for both – design of new structures and assessment of existing structures, the Task Group 3.3 focused on the compilation of a state-of-the-art guideline for the through-life management of existing concrete structures, including:
Data acquisition by testing and monitoring techniques;
Condition assessment for the evaluation of existing structures;
Performance prediction using advanced methods;
Decision-making procedures to perform a complete assessment of existing structure.
The overall objective of the through-life management is the assessment of the current condition and the estimation of the remaining service life under consideration of all boundary conditions.
Surface functionalized silica nanoparticles (SiO2-NP) gained great interest in the life and material sciences, as they can be used e.g. as drug carriers, fluorescent sensors, and multimodal labels in bioanalytical assays and imaging applications. They are highly stable, are easily produced and modified on a large scale at low cost and can be labeled or stained with a multitude of sensor dyes. These dye modified particle conjugates have several advantages as compared to conventional molecular probes like enhanced brightness, ease of designing ratiometric systems by combining analyte-sensitive and inert reference dyes, and increased photostability. Moreover, stained nanoparticles can enable the use of hydrophobic dyes in aqueous environments.
Here we present our work on multicolored sensors for the measurement of pH, oxygen and saccharides utilizing amorphous SiO2 NPs.
In recent years, chromium (III) complexes have received a lot of attention as novel near-infrared (NIR) emitters triggered by the report on the first molecular ruby Cr(ddpd)2(BF4)3 with a high photoluminescence quantum yield of 13.7% of its near infrared (NIR) emission band and a long luminescence lifetime of 1.122 ms at room temperature.[1] However, in an oxygen-containing environment, the photoluminescence quantum yields and luminescence lifetimes of these chromium(III) complexes show only very small values. This hampers their application as NIR luminescence labels. This application, that cannot be tackled by conventional deoxygenating approaches, requires suitable strategies to protect the luminescence of the chromium(III) complexes from oxygen quenching. An elegant approach to reduce the undesired luminescence quenching by triplet oxygen explored by us presents the incorporation of these chromium(III) complexes into different types of amorphous, non-porous silica nanoparticles, that can be simply surface functionalized, e.g., with targeting ligands and/or other sensor molecules. In this work, as first proof-of-concept experiments, a set of chromium (III) complexes constituting of different ligands and counter anions, were embedded into the core of silica nanoparticles. Subsequently, the optical properties of the resulting luminescent silica nanoparticles were spectroscopically assessed by steady state and time-resolved luminescence spectroscopy. First results of time-resolved luminescence measurements confirm our design concept of nanoscale NIR emissive Cr(III) complex-based reporters
Engineered nanoparticles (NPs) with various chemical compositions and surface functionalities are routinely fabricated for industrial applications such as medical diagnostics, drug delivery, sensing, catalysis, energy conversion and storage, opto-electronics, and information storage which improve the quality of life and European prosperity. NP function, performance, interaction with biological species, and environmental fate are largely determined by their surface functionalities. Standardized repeatable surface characterization methods are therefore vital for quality control of NPs, and to meet increasing concerns regarding their safety. Therefore, industry, regulatory agencies, and policymakers need validated traceable measurement methods and reference materials. This calls for fit-for-purpose, validated, and standardized methods, and reference data and materials on the surface chemistry of engineered NPs. Here, we present a concept for the development of such standardized measurement protocols utilizing method cross-validation and interlaboratory comparisons (ILCs) with emphasis on both advanced measurement methods such as quantitative Nuclear Magnetic Resonance (qNMR), X-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS) and cost-efficient, non-surface specific methods like optical assays and electrochemical titration methods.
Engineered and tailored nanomaterials (NM) are of great interest in the life and material sciences, as they can be used, e.g., as drug carriers, barcodes, fluorescent sensors, and multimodal labels in bioanalytical assays and imaging applications. Their performance and safety depend not only on their particle size, size distribution, and morphology, but also on their surface chemistry, i.e., the total number of surface functional groups (FG) and the number of FG accessible for subsequent functionalization with ligands or biomolecules, which in turn determines surface charge, colloidal stability, biocompatibility, and toxicity. It also underlines the importance of validated analytical methods that provide accurate information on these application-relevant physicochemical properties with a known uncertainty. In the case of FG quantification, this calls for robust, fast, inexpensive, and reliable methods which allow for the characterization of a broad variety of NM differing in size, chemical composition, and optical properties.
Methods
Aiming at the development of simple, versatile, and multimodal tools for the quantification of bioanalytically relevant FG such as amine, carboxy, thiol, and aldehyde functionalities, we investigated and compared various analytical methods commonly used for FG quantification. This includes electrochemical titration methods, dye-based optical assays, and other instrumental analytical techniques such as nuclear magnetic resonance (NMR), mass spectrometry (MS), and thermal analysis methods.
Results
Here, we will present examples for different types of NMs and FGs including results from a currently running interlaboratory comparison (ILC) with the National Research Council of Canada (NRC) to pave the road for method standardization.
Innovative aspects
• Surface analysis
• Performance and safety of nanomaterials
• Standardization
This seminar series comprises three lectures on drones and ground robots capable of sensing chemical substances and two accompanying hands-on workshops on nano drones equipped with chemical sensors. In the first lecture, Dr. Neumann will talk on a summary of aerial robot olfaction and his research. In the second and third lectures, more details of the nano drones equipped with chemical sensors will be provided, and the participants can get hands on experience of the nano
drones in the accompanying workshops. The lectures will be given in English. This seminar series is supported by FY2023 Researcher Exchanges Program in UEC.
Engineered nanomaterials (NM) with their large surface-to-volume ratios and their for some materials observed size-dependent functional properties are of increasing relevance for current and future developments in various fields such as medical and pharmaceutical industry, computing and electronics or food and consumer products. The performance and safety of NM are determined by the sum of their intrinsic physicochemical properties. Especially, the particle surface chemistry, which is largely controlled by the chemical nature and density of functional groups (FG) and ligands, is an important key driver for NM performance, stability, and processibility as well as the interaction of NM with the environment. Thus, methods for FG quantification can foster the sustainable development of functional and safe(r) NM.
Aiming at the development of simple, versatile, and multimodal tools for the quantification of many bioanalytically relevant FG and ligands, we investigated and compared various analytical methods commonly used for FG quantification. This includes electrochemical titration methods, dye-based optical assays, and other instrumental analytical techniques such as nuclear magnetic resonance and thermal analysis methods.
The potential of our multimodal approach for FG quantification was demonstrated for commercial and custom-made polymeric and silica particles of varying FG, used as optical pH sensors. In the future, our strategy can contribute to establish multi-method characterization strategies to provide a more detailed picture of the structure-properties relationship.
This seminar series comprises three lectures on drones and ground robots capable of sensing chemical substances and two accompanying hands-on workshops on nano drones equipped with chemical sensors. In the first lecture, Dr. Neumann will talk on a summary of aerial robot olfaction and his research. In the second and third lectures, more details of the nano drones equipped with chemical sensors will be provided, and the participants can get hands on experience of the nano
drones in the accompanying workshops. The lectures will be given in English. This seminar series is supported by FY2023 Researcher Exchanges Program in UEC.
In recent years, the use of functionalized micro- and nanomaterials has increased rapidly for a wide range of applications in the life and material sciences, due to their unique properties in combination with their high surface-to-volume ratio and stability. For instance, functionalized micro- and nanomaterials, that are labeled or stained with a multitude of sensor dyes can be used for monitoring, and quantification of neutral and ionic analytes. These materials have several advantages as compared to conventional molecular probes like enhanced brightness, ease of designing ratiometric systems by combining analyte-sensitive and inert reference dyes, and increased photostability. Moreover, stained nanoparticles can enable the use of hydrophobic dyes in aqueous environments.
Versatile templates and carriers for the fabrication of nanosensors by staining and/or labeling with different fluorophores and sensor molecules are biocompatible silica and polymeric particles, because they can be synthesized in large scales at low costs with different surface chemistries.
Here we present our work on multicolored sensors for the measurement of pH, oxygen and saccharides utilizing commercially available or in-house synthesized silica and polymeric particles.
This seminar series comprises three lectures on drones and ground robots capable of sensing chemical substances and two accompanying hands-on workshops on nano drones equipped with chemical sensors. In the first lecture, Dr. Neumann will talk on a summary of aerial robot olfaction and his research. In the second and third lectures, more details of the nano drones equipped with chemical sensors will be provided, and the participants can get hands on experience of the nano drones in the accompanying workshops. The lectures will be given in English. This seminar series is supported by FY2023 Researcher Exchanges Program in UEC.
Nowadays amorphous silica nanoparticles (SiO2-NP) are one of the most abundant engineered nanomaterials, that are highly stable and can be easily produced on a large scale at low cost. Surface functionalized SiO2-NP are of great interest in the life and material sciences, as they can be used e.g. as
drug carriers, fluorescent sensors, and multimodal labels in bioanalytical assays and imaging applications. Their performance in such applications depends not only on particle size, size distribution, and morphology, but also on surface chemistry, i.e. the total number of surface functional groups (FG)
and the number of FG accessible for subsequent functionalization with ligands or biomolecules, which in turn determines surface charge, colloidal stability, biocompatibility, and toxicity. Aiming at the development of simple, versatile, and multimodal tools for the quantification of many bioanalytically relevant FG and ligands, we investigated and compared various analytical methods commonly used for FG quantification. This includes electrochemical titration methods, dye-based optical assays, and other instrumental analytical techniques such as nuclear magnetic resonance and thermal analysis methods.
The potential of our multimodal approach for FG quantification was demonstrated for commercial and custom-made silica particles of varying FG, showing not only an influence of the synthesis methods on the number of FG but also on the performance. In the future, our strategy can contribute to establish multi-method characterization strategies to provide a more detailed picture of the structure-properties relationship.
In the focus of division Biophotonics are the design, preparation, analytical and spectroscopic characterization, and application of molecular and nanoscale
functional materials, particularly materials with a photoluminescence in the visible, near infrared (NIR) and short-wave infrared (SWIR). This includes optical reporters for bioimaging and sensing, security and authentication barcodes, and materials for solid state lighting, energy conversion, and photovoltaics. For the identification of optimum particle structures quantitative spectroscopic studies are performed under application-relevant conditions, focusing on the key performance parameter photoluminescence quantum yield. In addition, simple, cost-efficient, and standardizable strategies for quantifying functional groups on the surface of nano- and microparticles are developed, here with a focus on optical assays and electrochemical titration methods, cross-validated by more advanced methods such as quantitative NMR. In addition, reference materials and reference products are developed for optical methods, particularly luminescence techniques, and for analytical methods utilized for the characterization of nanomaterials.
For fluorescence microscopy, there is an increasing need for suitable calibration tools and reference materials for microscope calibration, the determination of performance parameters, and the regular control and validation of instrument performance. This is addressed in the BmWk-financed project FluMikal (WIPANO program) by two research groups from academia and two companies, that is coordinated by BAM. Here we present different approaches to liquid and solid fluorescence standards for the determination of the wavelength-dependent spectral sensitivity of fluorescence microscopes and ideas concerning the choice of suitable fluorescence lifetime standard for increasingly utilized fluorescence lifetime imaging (FLIM).
The digitalization of quality control processes and the underlying data infrastructures for safety relevant components, such as hydrogen pressure vessels, plays a significant role in the transition towards Industry 4.0. In the current safety regulations for hydrogen pressure vessels, there is no established concept for structural health monitoring. The development of a reliable structural health monitoring methodology for monitoring the structural integrity of pressure vessels enables a fast-forward transition from personnel- and costintensive recurring inspections, a.k.a. periodic maintenance, to predictive maintenance. In the work presented; we investigated the application of ultrasonic guided wave propagation to monitor and assess the condition of Type IV composite overwrapped pressure vessel (COPV). A sensor network of fifteen piezo-electric wafers is placed on the carbon fibre reinforced composite cylinder. Five different artificial damage configurations are created by gluing two different weight blocks on three different locations. The database containing measured guided wave data sets is enriched by two different boundary conditions. We utilized an open-source software, openBIS labnotebook, to store and analyse experimental datasets. The guided wave ultrasonic signals were investigated and analysed by using commonly used ultrasonic features (e.g., amplitude, frequency, time of flight) as well as non-traditional time-series features (kurtosis, skewness, variance). The features were used to calculate damage index and the detection performance for the results has been evaluated. The results suggest that both traditional and non-traditional features assume significant importance in artificial damage detection. The future works will additionally involve the impacts of operational conditions, such as periodic pressure variations temperature loadings as well as material degradations.
The application of composite overwrapped pressure vessels (COPV) to store hydrogen and other compressed gases, especially when operating at high pressures, imposed the need for an innovative and reliable approach to ensure the safe operation of the system. Continuous structural health monitoring (SHM) based on ultrasonic guided waves (GWs) is a promising approach due to the ability of the wave to propagate for long distances and go around complex structures, moreover the high sensitivity to various failure modes such as delamination, matrix cracking and debonding. In this study, we scrutinize the behavior of (GWs) within the COPV using a network of PZT elements that are used for excitation and sensing. A laser doppler vibrometer (LDV) was also used to scan the surface of the vessel in various directions. L(0,1) and L(0,2) were observed in the captured signal. The L(0, 2) appeared to be a dominant mode in the COPV and was capable of propagating along the entire length and maintaining a good signal-to-noise ratio. The L(0,2) mode maintained the same phase velocity when it is captured at various excitation angles (0, 45, and 90 degrees). The reduced effect of the orthotropy of the materials on the propagating waves is an important result as it will reduce the complexity in data processing when performing damage identification.
In the event of moisture deterioration, rapid detection and localization is particularly important to prevent further deterioration and costs. For building floors, the layered structure poses a challenging obstacle for most moisture measurement methods. But especially here, layer-specific information on the depth of the water is crucial for efficient and effective repairs. Ground Penetrating Radar (GPR) shows the potential to generate such depth information. Therefore, the present work investigates the suitability of GPR in combination with machine learning methods for the automated classification of the typical deterioration cases (i) dry, (ii) wet insulation, and (iii) wet screed.
First, a literature review was conducted to identify the most common methods for detecting moisture in building materials using GPR. Here, it especially became clear that all publications only investigated individual time-, amplitude- or frequency features separately, without combining them. This was seen as a potential aspect for innovation, as the multivariate application of several signal features can help to overcome individual weaknesses and limitations.
Preliminary investigations carried out on drying screed samples confirmed the profitable use of multivariate evaluations. In addition to the general suitability and dependencies of various features, first limitations due to possible interference between the direct wave and the reflection wave could be identified. This is particularly evident with thin or dry materials, for which the two-way travel times of the reflected radar signals become shorter.
An extensive laboratory experiment was carried out, for which a modular test specimen was designed to enable the variation of the material type and thickness of screed and insulation, as well as the simulation of moisture deteriorations. The data collected revealed clear differences between dry and deteriored structures within measured B-scans. These deviations were to be detected with the newly introduced B-scan features, which evaluate the statistical deviation of A-scan features within a survey line. In this way, deteriorations to unknown floor structures are recognized, regardless of the material parameters present. In a subsequent training and cross-validation process of different classifiers, accuracies of over 88 \% of the 504 recorded measurements (252 different experimental setups) were achieved. For that, the combination of amplitude and frequency features, which covered all relevant reflections of the radar signals, was particularly beneficial. Furthermore, the data set showed only small differences between dry floors and deteriored screeds for the B-scan features, which could be attributed to a homogeneous distribution of the added water in the screeds. The successfully separation of these similar feature distributions raised the suspicion of overfitting, which was examined in more detail by means of a validation with on-site data.
For this purpose, investigations were carried out at five different locations in Germany, using the identical measurement method like in the laboratory. By extracting drilling cores, it was possible to determine the deterioration case for each measurement point and thus generate a corresponding reference. However, numerous data had to be sorted out before classification, since disturbances due to underfloor heating, screed reinforcements, steel beams or missing insulation prevented comparability with the laboratory experiments. Validation of the remaining data (72 B-scans) achieved only low accuracy with 53 \% correctly classified deterioration cases. Here, the previously suspected overfitting of the small decision boundary between dry setups and deteriored screeds within the laboratory proved to be a problem. The generally larger deviations within (also dry) on-site B-scans were thus frequently misclassified as screed deterioration. In addition, there were sometimes strongly varying layer thicknesses or changing cases of deterioration within a survey line, which caused additional errors due to the local limitation of the drilling core reference. Nevertheless, individual on-site examples also showed the promising potential of the applied signal features and the GPR method in general, which partly allowed a profound interpretation of the measurements. However, this interpretation still requires the experience of trained personnel and could not be automated using machine learning with the available database. Nevertheless, such experience and knowledge can be enriched by the findings of this work, which provide the basis for further research.
Future work should aim at building an open GPR data base of on-site moisture measurements on floors to provide a meaningful basis for applying machine learning. Here, referencing is a crucial point, whose limitations with respect to the moisture present and its distribution can easily reduce the potential of such efforts. The combination of several reference methods might help to overcome such limitations. Similarly, a focus on monitoring approaches can also help to reduce numerous unknown variables in moisture measurements and increase confidence in the detection of different deterioration cases.
These data sets serve as models for calculating the specific surface area (BET method) using gas sorption in accordance with ISO 9277.
The present measurements were carried out with nitrogen at 77 Kelvin and argon at 87 Kelvin.
It is recommended to use the following requirements for the molecular cross-sectional area:
Nitrogen: 0.1620 nm²
Argon: 0.1420 nm²
Titanium dioxides certified with nitrogen sorption and additionally measured with argon for research purposes were used as sample material.
The resulting data sets are intended to serve as comparative data for own measurements and show the differences in sorption behaviour and evaluations between nitrogen and argon.
These data are stored in the universal AIF format (adsorption information file), which allows flexible use of the data.
We employ in-house generated synthetic Al-Si matrix composite XCT data for training deep convolutional neural networks for XCT data conditioning and automatic segmentation. We propose an in-house multilevel deep conditioning framework capable of rectifying noise and blur in corrupted XCT data sequentially. Furthermore, for automatic segmentation, we utilize a special in-house network coupled with a novel iterative segmentation algorithm capable of generalized learning from synthetic data. We report a consistent SSIM efficiency of 92%, 99%, and 95% for the combined denoising/deblurring, standalone denoising, and standalone deblurring, respectively. The overall segmentation precision was over 85% according to the Dice coefficient. We used experimental XCT data from various scans of Al-Si matrix composites reinforced with ceramic particles and fibers.
The applications of composite overwrapped pressure vessels (COPVs) in extreme conditions, such as storing hydrogen gases at very high pressure, impose new requirements related to the system's integrity and safety. The development of a structural health monitoring (SHM) system that allows for continuous monitoring of the COPVs provides rich information about the structural integrity of the component. Furthermore, the collected data can be used for different purposes such as increasing the periodic inspection intervals, providing a remaining lifetime prognosis, and also ensuring optimal operating conditions. Ultimately this information can be complementary to the development of the envisioned digital twin of the monitored COPVs. Guided waves (GWs) are preferred to be used in continuous SHM given their ability to travel in complex structures for long distances. However, obtained GW signals are complex and require advanced processing techniques. Machine learning (ML) is increasingly utilized as the main part of the processing pipeline to automatically detect anomalies in the system's integrity. Hence, in this study, we are scrutinizing the potential of using ML to provide continuous monitoring of COPVs based on ultrasonic GW data. Data is collected from a network of sensors consisting of fifteen Piezoelectric (PZT) wafers that were surface mounted on the COPV. Two ML algorithms are used in the automated evaluation procedure (i) a long short-term memory (LSTM) autoencoder for anomaly detection (defects/impact), and (ii) a convolutional neural network (CNN) model for feature extraction and classification of the artificial damage sizes and locations. Additional data augmentation steps are introduced such as modification and addition of random noise to original signals to enhance the model's robustness to uncertainties. Overall, it was shown that the ML algorithms used were able to detect and classify the simulated damage with high accuracy.
Im Rahmen des Forschungsprojekts "Artificial Intelligence for Rail Inspection" (AIFRI) wird ein KI-Algorithmus entwickelt, um die Fehlererkennung bei der Auswertung von Schienenprüfungen zu verbessern. Der Prozess der mechanisierten Schienenprüfung wird analysiert und die Schienenfehler sowie Artefakte werden in einem digitalen Zwilling abgebildet, um in einem weiteren Schritt die automatische Fehlererkennung und Klassifizierung mit KI-Algorithmen trainieren zu können. Zu diesem Zweck werden Ultraschalldatensätze auf der Grundlage der Regelwerke und Informationen aus der Instandhaltung mit einer Simulationssoftware erstellt, die Anzeigen der verschiedenen Schienenschädigungen und Artefakte enthalten.
Die Schienenfehler werden bei der Auswertung in Fehlerklassen eingeordnet, für das KI-Training priorisiert und auf Basis der von der DB Netz AG ausgewählten Informationen untersucht. Hierfür werden die Schienenfehler nach den für das KI-Training relevanten Merkmalen zerlegt und die Konfiguration der Parameter der Simulation entsprechend abgestimmt.
Für die Grundstruktur des Datensatzes wird ein Schienenmodell mit einer Länge von einem Meter für die Simulation eingesetzt, auf dessen Basis alle bei der Schienenprüfung zu verwendenden Prüfköpfe für den jeweiligen Reflektortyp betrachtet werden. Die simulierten Daten werden auf einer Testschiene im Labormaßstab validiert. Mögliche Einflussparameter wie z. B. der Signal-Rausch-Abstand sowie die Fahrgeschwindigkeit werden in den Datensätzen herangezogen. Die Zusammenstellung eines Testdatensatzes mit lokal veränderlichen Einflussgrößen erfolgt aus den simulierten Daten unter Verwendung der skriptbasierten Programmierumgebung Python und Matlab.
Das Projekt AIFRI wird im Rahmen der Innovationsinitiative mFUND unter dem Förderkennzeichen 19FS2014 durch das Bundesministerium für Digitales und Verkehr gefördert.
Eine online Live-Vorführung des DCC Demonstrators zur automatisierten Erstellung und Auswertung eines maschinenlesbaren digitalen Kalibrierscheins zur metrologischen Rückführung eines Pt 100 Temperaturfühlers.
Workflow: DCC Vorlage für Kalibrierungen nach DKD-R 5-1; DCC Middleware zur Aufnahme der auftragsbezogenen Metadaten und Einfügen aller Daten, inkl. der Messdaten, in die DCC Vorlage; Validierung des befüllten DCCs gegen das DCC-Schema; Siegelung des DCCs mit dem digitalen Akkreditierungssymbol; Übertragung an den DCC-Nutzer; nutzerseitige Verifizierung des elektronischen Siegels zur Sicherstellung von Authentizität, Integrität und Akkreditierung; direktes auslesen der Sensordaten mit Messunsicherheit basierend auf Herstellerspezifikationen; Einlesen und Auswerten des DCCs auf Knopfdruck, damit automatisierte Erstellung einer Kalibrierfunktion und entsprechende Korrektur der Sensordaten, automatisches Auslesen der temperaturabhängigen Messunsicherheit und Erweiterung um relevante Beiträge zum Erreichen der metrologischen Rückführbarkeit der Temperaturmessung; qualitätsgesicherte Konformitätsaussage des Prozesses auf Basis der so korrigierten Temperaturmesswerte und deren Unsicherheiten.
Lanthanide Nanocrystals as Authentication and Security Tags and Reporters for Optical Sensors
(2023)
Counterfeiting of goods has serious economic implications worldwide and can present a considerable threat to human health and national security, rendering product authentication more and more important. This led to an increasing interest in simple tags for anticounterfeiting and authentication applications for the integration into different materials and matrices that are robust enough to survive the respective production processes and can be read out in-situ with simple instrumentation.
Here we present a platform of chemically inert, multi-color luminescent lanthanide nanocrystals (LnNC) consisting of a NaYF4 matrix doped with Yb, Er, Tm, or Ho as promising candidates for such applications.
LnNC with characteristic multi-color emission patterns, composed of narrow bands of varying intensity in the ultraviolet, visible, near-infrared, and short-wave were synthesized via a thermal decomposition approach under inert conditions[1]. The tailor-made design of different emission pattern was achieved by tuning particle size, material composition, and particle surface chemistry in upscaleable syntheses.[2] Particle size and morphology were determined by dynamic light scattering and transmission electron microscopy and the optical properties were characterized by absorption and fluorescence spectroscopy as well as fluorescence lifetime measurements.
The particles were then incorporated into security inks and consumer products. In addition, microenvironment-specific changes in the emission properties of the LnNC tag were utilized to study and sense changes of physico-chemical parameters in different matrices.
In diesem Beitrag soll die Etablierung von digitalen Kalibrierscheinen als maschineninterpretierbare Ergebnisberichte in akkreditierten Kalibrierlaboren, am Beispiel der Kalibrierung von Widerstandsthermometern nach DKD-R 5-1 aufgezeigt werden. Der DCC-Entwurf basiert auf dem von der PTB entwickelten DCC-Schema für XML-Formate. Vorrangig sollen folgende Aspekte bei der Umsetzung in akkreditierten Kalibrierlaboren beleuchtet werden: Angepasste digitale Workflows und Prozessdarstellungen; Harmonisierung von DCCs nach DKD-R 5-1; Entwicklung der IT-Infrastruktur (Middleware) zur automatisierten Generierung von DCCs; Erfahrungen aus der Pilotierung der DAkkS-eAttestation zum digitalen Nachweis der Akkreditierung; Praktische Umsetzung im Rahmen von QI-Digital.
Dieses Qualitätswerkzeug soll im Gesamtkonzept von QI-Digital zum UseCase Wasserstofftankstelle kurz vorgestellt werden.
Counterfeiting of goods has serious economic implications worldwide and can be a threat to human health and safety. Upconversion nanoparticles (UCNPs)are ideal candidates for optical encoding of various materials. Particles with tailor-made emission patterns can be used as anti-counterfeiting markers and luminophores in security inks and to track material flows. Microenvironment-specific changes in the emission properties of the UCNP tags can be used to study, signal, and sense changes of physico-chemical parameters in different environments, e.g., building
materials.
Demonstrating competency and equivalence for the measurement capacity of contaminants and nutrients in primary foodstuffs is a priority of the OAWG 10-year strategy for Track A core comparisons. Such measurements have posed significant challenges for reference material producers and calibration service providers. This key comparison (KC), under the topic of “non- polar analyte in high carbohydrate food matrix: trans-Zearalenone (trans-ZEN) in maize powder” , was a sector of the model system selected to align with this class within the OAWG strategy. Evidence of successful participation in formal, relevant international comparisons is needed to demonstrate the Calibration and Measurement Capabilities (CMCs) of national metrology institutes (NMIs) and designated institutes (DIs).
17 NMIs and DIs participated in the Track A KC CCQM- 168 “non-polar analyte in high carbohydrate food matrix: trans-ZEN in maize powder” . Participants were requested to evaluate the mass fraction (μg/kg) of trans-ZEN in maize powder material. Methods like liquid-liquid extraction and SPE were applied in the pre-treatment, and HPLC-MS/MS and HPLC-FLD were used for detection by the participants. The mass fractions for trans-ZEN were in the range of (91.8 to 169) μg/kg with standard uncertainties of (1.5 to 24.7) μg/kg, and corresponding relative standard uncertainties from 1.5% to 14.6%. Two labs, INTI and BAM were excluded from the KCRV evaluation. INTI result was identified as an outlier and confirmed their method had insufficient specificity. For BAM the calibration approach they used does not meet the CIPM traceability requirements. The other 15 labs included in the calculation of the consensus KCRV all agreed within their standard uncertainties. Hierarchical Bayes was used as estimators in calculating KCRV and standard uncertainty.
Successful participation in CCQM-K168 demonstrates the measurement capabilities in determining mass fraction of organic compounds, with molecular mass of 100 g/mol to 500 g/mol, having low polarity pKow < -2, in mass fraction range from 1 μg/kg to 1000 μg/kg in a high carbohydrate food matrix.
Die Fourier-Transformations-Infrarot-Spektroskopie (FTIR-Spektroskopie) stellt eine innovative und wirkungsvolle Methode zur Charakterisierung von Bitumen und bitumenhaltigen Bindemitteln dar. So erlaubt die FTIRCharakterisierung nicht nur eine Bewertung des Alterungsfortschritts eines Bindemittels, sondern zudem auch die Identifizierung von im Bitumen enthaltenen Additiven und Schadstoffen wie z. B. polyzyklischen aromatischen Kohlenwasserstoffen (PAK), die Ableitung verschiedener physikalischer und chemischer Kennwerte sowie weiterhin eine Klassifizierung von Bindemitteln nach verschiedenen übergeordneten Eigenschaften wie der Raffinerie, dem Alterungszustand und auch der Alterungsempfindlichkeit.
The transfer of data for the metrological traceability of measurement results is currently taking place in the form of paper-based calibration certificates, mostly. Especially accredited metrology services providers are often bound to paper certificates by regulatory constrictions and sometimes lack of IT-infrastructure. This analog form of metrology data transfer, however, implies hands-on work, in particular for the certificate receiver, as its key values need to be translated into the device- and quality management (QM) system, manually. With thousands of certificates transferred from accredited calibration labs until the industrial regime, this binds a significant amount of human resources and is a well-known source of errors, thus constricting cost-effective and secure workflows.
This contribution highlights the status of the advancing digital transformation in metrology, on the example of force calibration. Although this appealing initiative is to a large extend driven by German stakeholders, it currently evolves to extend across all Europe and far beyond.
Thermal Destruction of PFAS
(2023)
Thermal treatment processes are currently the only full-scale option for thedestruction of per- and polyfluoroalkyl substances (PFAS) in large waste streams. While all organic molecules including PFAS are susceptible to thermal destruction, their decomposition rates are controlled by process variables such as temperature, reaction atmosphere, and residence time. Concerns exist about the formation of products of incomplete destruction and their emission from hazardous waste incinerators. This talk will summarize the current stateof-the-art of thermal PFAS destruction, identify research needs, and showcase future research designed to address critical knowledge gaps.
The application of compact NMR instruments to continuously flowing samples at higher temperatures or exothermically reacting mixtures is limited by the temperature sensitivity of permanent magnets. Typically, such temperature effects directly influence the achievable magnetic field homogeneity and hence measurement quality. The internal-temperature control loop of the magnet and instruments is typically not designed for compensation of such effects. Passive insulation is restricted by the small dimensions within the magnet borehole.
Here, we present a design approach for active heat shielding with the aim of variable temperature control of NMR samples for benchtop NMR instruments using a compressed airstream which is variable in flow and temperature. Based on the system identification and surface temperature measurements using an optical thermo-graphy setup, a model predictive control was set up to minimize any disturbance effect on the permanent magnet from the probe or sample temperature.
This methodology will facilitate the application of variable-temperature shielding and, therefore, potentially extend the application of compact NMR instruments to flowing samples at higher temperature than the permanent magnet.
Die NMR-Spektroskopie ist eine der zentralen nicht-invasiven Analysenmethoden in der organischen Chemie und aus dem Laboralltag nicht mehr wegzudenken. Die direkte Proportionalität zwischen der Anzahl der Atomkerne im Messvolumen und der Signalfläche im Spektrum ist vergleichbar mit einem „Zählen der Kernspins“. Der Kalibrieraufwand für die Quantifizierung ist minimal und aus dem NMR-Spektrum sind Informationen zu Struktur und Identität zugänglich.
Online-NMR-Spektroskopie wird unter Zuhilfenahme von speziellen Durchflussproben-köpfen und Messzellen bereits seit Jahrzehnten erforscht und eingesetzt. Durch die hohen Anforderungen an die Aufstellung und den Betrieb von klassischen Hochfeld-NMR-Spektrometern konnte sie allerdings nie den Sprung vom Labor in den Prozess schaffen. Dies hat sich durch die Entwicklungen im Bereich mobil einsetzbarer Benchtop-NMR-Spektrometer grundlegend verändert. Geringere Investitions- und Betriebskosten, sowie die Robustheit und einfache Bedienbarkeit dieser Systeme sind entscheidende Faktoren. Damit rückt eine Anwendung als Online-PAT-Methode technisch in greifbare Nähe. Designierte Prozess-NMR-Spektrometer sucht man heutzutage allerdings auf dem Markt meist noch vergebens.
Die Reaktionsverfolgung im Labormaßstab konnte an unterschiedlichen Systemen erfolgreich demonstriert werden. Dabei zeigten sich allerdings Limitierungen in Hinblick auf einen möglichen Prozesseinsatz. Insbesondere die Temperaturempfindlichkeit der Magnetsysteme ist hier zu nennen. Anhand eines Prototyps wurde eine aktive Temperaturisolation mittels temperierter Luftströmungen entwickelt und erprobt.
Eine Feldintegration von Laborsystemen geht sowohl technisch als auch regulatorisch mit zahlreichen Herausforderungen einher. Das raue Umfeld von Produktionsanlagen, sowie die Anforderungen an Explosionsschutz erfordern eine zugelassene Einhausung. Auf Basis von Erfahrungen mit einem ersten Prototyp erfolgte die gemeinsame Entwicklung eines möglichst flexibel einsetzbaren Analysenschranks. Neben der Hardware-Integration sind die automatisierte modellbasierte Auswertung der NMR-Spektren, sowie die Einbindung in die Prozessleittechnik essenziell für einen zuverlässigen Betrieb als PAT-Analysengerät.