TY - GEN A1 - Kern, Simon A1 - Wander, Lukas A1 - Meyer, Klas A1 - Guhl, Svetlana A1 - Gottu Mukkula, A. R. A1 - Holtkamp, M. A1 - Salge, M. A1 - Fleischer, C. A1 - Weber, N. A1 - Engell, S. A1 - Paul, Andrea A1 - King, R. A1 - Maiwald, Michael T1 - Raw data of pilot plant runs for CONSENS project (Case study 1) N2 - In case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and o-FNB) were mixed with Lithium-base (LiHMDS) in a continuous modular plant to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were subject to variation to drive the plant to its optimum. The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26, 2017-09-28, 2017-10-10, 2017-10-17. In the following the contents of the files are explained. KW - Process Analytical Technology KW - Multivariate Data Analysis KW - Nuclear Magnetic Resonance KW - Near Infrared Spectroscopy KW - Continuous Manufacturing KW - CONSENS PY - 2018 DO - https://doi.org/10.5281/zenodo.1438233 PB - Zenodo CY - Geneva AN - OPUS4-48063 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rosemann, Paul A1 - Müller, C. A1 - Meyer, A. A1 - Halle, T. ED - Lampke, T. ED - Wagner, G. ED - Wagner, M. F.-X. T1 - Einfluss von Stickstoff auf Mikrostruktur und Korrosionsverhalten martensitischer nichtrostender Stähle N2 - Die Korrosionsbeständigkeit martensitischer nichtrostender Stähle (MNS) wird wesentlich von der chemischen Zusammensetzung und dem Wärmebehandlungszustand beeinflusst. Beides bestimmt die Verteilung der Legierungselemente im Gefüge und die daraus resultierenden Werkstoffeigenschaften. Das Legieren mit Stickstoff bewirkt im Allgemeinen eine Verbesserung der Lochkorrosionsbeständigkeit von nichtrostenden Stählen. Bei martensitischen nichtrostenden Stählen ist dieser Effekt nicht nur auf den Stickstoffgehalt selbst zurückzuführen, sondern auch auf den gleichzeitig verringerten Kohlenstoffgehalt, der ebenfalls das Ergebnis der Wärmebehandlung beeinflusst. In dieser Arbeit wird der Einfluss von Stickstoff auf die Korrosionsbeständigkeit in Bezug zum Härtungsprozess von MNS dargestellt. Dazu wird vergleichend der Effekt von Austenitisierungsdauer, -temperatur und Abkühlgeschwindigkeit auf Gefüge, Härte und Korrosionsbeständigkeit der MNS X50CrMoV15 und X30CrMoN15 1 untersucht. Die Abkühlgeschwindigkeit wurde mit dem Stirnabschreckversuch gezielt variiert, um den Einfluss von Abkühlgeschwindigkeiten von > 100 K/s bis 1 K/s zu charakterisieren. Die Veränderungen der Korrosionsbeständigkeit werden durch die elektrochemisch potentiodynamische Reaktivierung (EPR) und durch die Bestimmung kritischer Lochkorrosionspotentiale dokumentiert. Neben diesem experimentellen Ansatz werden auch die Ergebnisse von thermodynamischen Berechnungen mit der Software Thermocalc vorgestellt und abschließend auch zur Interpretation des Einflusses von Stickstoff auf die Korrosionsbeständigkeit martensitischer nichtrostender Stähle genutzt. T2 - 18. Werkstofftechnisches Kolloquium der TU Chemnitz CY - Chemnitz, Germany DA - 10.03.2016 KW - Korrosionsbeständigkeit KW - Corrosion resistance KW - Wärmebehandlung KW - Heat treatment KW - Nichtrostende Stähle KW - Stainless steels KW - Thermocalc KW - Thermocalc PY - 2016 SN - 978-3-00-052212-3 SN - 1439-1597 VL - 59 SP - 325 EP - 336 PB - TU Chemnitz, Fakultät für Maschinenbau, Institut für Werkstoffwissenschaft und Werkstofftechnik CY - Chemnitz AN - OPUS4-37263 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Heyn, A. A1 - Rosemann, Paul A1 - Babutzka, Martin A1 - Bender, S. T1 - Elektrochemisches Rauschen von unlegiertem Stahl in wasserbasierten Bindemittel-Pigment-Gemischen N2 - Die Entwicklung von Beschichtungen für den Korrosionsschutz ist ein aufwändiger Prozess mit einer Vielzahl von oftmals langwierigen Untersuchungen und Prüfungen der Schutzeigenschaften. Elektrochemische Methoden unterstützen die Entwicklungsprozesse in hohem Maße und helfen beim Verstehen von Wirk- und Schadensmechanismen. Sie werden meistens an fertig formulierten und applizierten Beschichtungssystemen vorgenommen. Es wird eine Untersuchungsmöglichkeit vorgestellt, bei der sich wasserbasierte Beschichtungsstoffe in unterschiedlichen Formulierungsvarianten bereits im flüssigen Zustand mit Hilfe des elektrochemischen Rauschens charakterisieren lassen. Damit ist es möglich, bereits in einer sehr frühen Phase der Formulierungsentwicklung die Auswahl von Bindemitteln, Pigmenten und weiteren Zusatzstoffen entscheidend zu unterstützen und effizienter zu gestalten. Am Beispiel der Entwicklung von zinkfreien Korrosionsschutzpigmenten für wasserbasierte Beschichtungen wird gezeigt, dass ein einzigartiger Einblick in die dynamischen Prozesse bei Kontakt eines Metalls mit der wässrigen Beschichtungsdispersion möglich ist und wie dies mit der Performance der Beschichtungen korreliert. T2 - 16. Sommerkurs Werkstoffe und Fügen CY - Magdeburg, Germany DA - 08.09.2017 KW - Beschichtung KW - Korrosion KW - Elektrochemisches Rauschen KW - Korrosionsschutzpigmente KW - Korrosionsschutz PY - 2017 SN - 978-3-944722-58-0 DO - https://doi.org/10.24352/UB.OVGU-2017-75 SP - 139 EP - 148 AN - OPUS4-41893 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul A1 - Graf, Nora A1 - Gross, Thomas A1 - Lippitz, Andreas A1 - Krakert, S. A1 - Schüpbach, B. A1 - Terfort, A. A1 - Unger, Wolfgang T1 - Amine species on self-assembled monolayers of omega-aminothiolates on gold as identified by XPS and NEXAFS spectroscopy N2 - Functionalised surfaces are of interest in many fields, e.g. in biomedicine, materials science and molecular electronics. In this study a series of self-assembled aliphatic and aromatic monolayers on gold substrates with terminal amino groups was investigated. Four different thiol molecules were used: aliphatic 11-aminoundecane-1-thiol (AUDT), aromatic 4-aminobenzenethiol (ABT) and aromatic ω-amino thiols with an alkyl spacer as 4-aminophenylbutane-1-thiol (APBT) and 3-(4''-amino-1,1':4',1''-terphenyl-4-yl)propane-1-thiol (ATPT). Evaluation of N 1s XPS data revealed that on the aromatic self-assembled monolayers (SAMs) amino groups exist preferentially as primary amines, whereas on the aliphatic SAM protonated and/or hydrogen-bonded amines are the major species. This result is crosschecked by N K edge near edge X-ray absorption fine structure (NEXAFS) spectroscopy and can be rationalised by the different basicity of aliphatic and aromatic amines. KW - Self-assembled monolayer KW - Amines KW - XPS KW - NEXAFS KW - Surface analysis PY - 2010 DO - https://doi.org/10.1002/sia.3224 SN - 0142-2421 SN - 1096-9918 VL - 42 SP - 1184 EP - 1187 PB - Wiley CY - Chichester AN - OPUS4-21498 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dietrich, Paul A1 - Horlacher, T. A1 - Gross, Thomas A1 - Wirth, Thomas A1 - Castelli, R. A1 - Shard, A.G. A1 - Alexander, M. A1 - Seeberger, P. H. A1 - Unger, Wolfgang T1 - Surface analytical characterization of carbohydrate microarrays N2 - Microarrays are a versatile platform for diagnostics and high-throughput analysis. Carbohydrate microarrays are valuable tools to investigate interactions with other molecules since many glycans are involved in fundamental biological processes. A combined X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS) surface analysis was used to investigate the basic steps in the production of carbohydrate microarrays. The preparation included coupling of a thiol-terminated mannoside to maleimide-functionalized glass surfaces derived from γ-aminopropyl silane (GAPS) slides. XPS results clearly demonstrate successful chemical modification in each fabrication step, and ToF-SIMS imaging revealed immobilized carbohydrates in the spotted regions of the final microarray. KW - Carbohydrates KW - Microarrays KW - XPS KW - ToF-SIMS KW - Nona-mannoside KW - Maleimide surfaces KW - Surface analysis PY - 2010 DO - https://doi.org/10.1002/sia.3255 SN - 0142-2421 SN - 1096-9918 VL - 42 SP - 1188 EP - 1192 PB - Wiley CY - Chichester AN - OPUS4-21500 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - RPRT A1 - Dietrich, Paul A1 - Graf, Nora A1 - Gross, Thomas A1 - Lippitz, Andreas A1 - Schüpbach, B. A1 - Terfort, A. A1 - Unger, Wolfgang T1 - Characterization of self-assembled monolayers of terphenylthiols with amine head groups KW - Terphenylthiolate SAMs KW - Gold KW - Microarray KW - NEXAFS PY - 2008 SP - 195 EP - 197 AN - OPUS4-22909 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jiang, J. A1 - Bauer, I. A1 - Paul, Andrea A1 - Kappler, A. T1 - Arsenic redox changes by microbially and chemically formed semiquinone radicals and hydroquinones in a humic substance model quinone N2 - Arsenic is a redox-active metalloid whose toxicity and mobility strongly depends on its oxidation state, with arsenite (As(III)) being more toxic and mobile than arsenate (As(V)). Humic substances (HS) are also redox-active and can potentially react with arsenic and change its redox state. In this study we show that semiquinone radicals produced during microbial or chemical reduction of a HS model quinone (AQDS, 9,10-anthraquinone-2,6-disulfonic acid) are strong oxidants. They oxidize arsenite to arsenate, thus decreasing As toxicity and mobility. This reaction depends strongly on pH with more arsenite (up to 67.3%) being oxidized at pH 11 compared to pH 7 (12.6% oxidation) and pH 3 (0.5% oxidation). In addition to As(III) oxidation by semiquinone radicals, hydroquinones that were also produced during quinone reduction reduced As(V) to As(III) at neutral and acidic pH values (less than 12%) but not at alkaline pH. In order to understand redox reactions between arsenite/arsenate and reduced/oxidized HS, we quantified the radical content in reduced quinone solutions and constructed Eh-pH diagrams that explain the observed redox reactions. The results from this study can be used to better predict the fate of arsenic in the environment and potentially explain the occurrence of oxidized As(V) in anoxic environments. KW - Natural organic-matter KW - Electron-acceptors KW - Reducing bacteria KW - Ferric iron KW - Reduction KW - Acid KW - Groundwater KW - Release KW - Kinetics KW - pH PY - 2009 DO - https://doi.org/10.1021/es803112a SN - 0013-936X SN - 1520-5851 VL - 43 IS - 10 SP - 3639 EP - 3645 PB - ACS Publ. CY - Washington, DC AN - OPUS4-19982 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Roden, E. A1 - Kappler, A. A1 - Bauer, I. A1 - Jiang, J. A1 - Paul, Andrea A1 - Stoesser, R. A1 - Konishi, H. A1 - Xu, H. T1 - Extracellular electron transfer through microbial reduction of solid-phase humic substances KW - Natural organic-matter KW - Electron-acceptors KW - Reducing bacteria KW - Ferric iron KW - Reduction KW - Acid KW - Groundwater KW - Release KW - Kinetics KW - PH PY - 2010 DO - https://doi.org/10.1038/NGEO870 SN - 1752-0894 SN - 1752-0908 VL - 3 SP - 417 EP - 421 PB - Nature Publishing Group CY - London AN - OPUS4-22345 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dittmar, Paul A1 - Cantzler, A. T1 - Die Verhütung von Unfällen beim Umgang mit Äthylenoxyd PY - 1956 SN - 0003-7788 IS - 9 PB - Kohlhammer CY - Stuttgart AN - OPUS4-9858 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chazeau, E. A1 - Pipier, A. A1 - Wegner, Karl David A1 - Ghiringhelli, F. A1 - Sancey, L. A1 - Paul, C. A1 - Goze, C. T1 - NIR-II aza-BODIPY Platform for the Development of a Fluorescent Antibody Drug Conjugate N2 - Real-time imaging of antibody-drug conjugates (ADCs) offers valuable insights for assessing tumor targeting specificity, monitoring therapeutic efficacy, and detecting off-target accumulation that may cause adverse effects. To enable precise tracking, we developed a versatile fluorescent platform based on an NIR-II emitting aza-BODIPY dye, which can be site-specifically grafted onto an IgG1 antibody to generate well-defined fluorescent ADCs. As a proof of concept, we synthesized an HER2-targeting trastuzumab immunoconjugate bearing a NIR-II aza-BODIPY fluorophore. The cytotoxic monomethyl auristatin E (MMAE) payload was introduced in the final step, resulting in a trackable and homogeneous ADC suitable for both in vitro and in vivo investigations. The resulting Trastu-azaNIRII-MMAE selectively accumulated in HER2-positive subcutaneous tumors, significantly reducing the tumor growth. Using NIR-II optical imaging, a single injection of the NIR-II-ADC allowed for the detection of the conjugate over a period of more than one month, highlighting its potential for long-term tracking and therapeutic applications. KW - NIR-II KW - Fluorescence KW - Quality assurance KW - Antibody drug conjugate KW - In vivo imaging PY - 2025 DO - https://doi.org/10.1021/acs.jmedchem.4c02777 VL - 68 IS - 7 SP - 7232 EP - 7242 PB - ACS Publications AN - OPUS4-63025 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nietzold, Carolin A1 - Dietrich, Paul A1 - Holzweber, M. A1 - Lippitz, Andreas A1 - Kamalakumar, A. A1 - Blanchard, V. A1 - Ivanov-Pankov, S. A1 - Weigel, W. A1 - Panne, Ulrich A1 - Unger, Wolfgang T1 - Surface chemical characterization of model glycan surfaces and shelf life studies of glycan microarrays using XPS, NEXAFS spectroscopy, ToF-SIMS and fluorescence scanning N2 - Biomedical applications, including functional biomaterials, carbohydrate-arrays, and glycan-based biosensors. The chemistry of glycan immobilization plays an essential role in the bioavailability and function of surface bound carbohydrate moieties. For biomedical applications the stability over time (shelf life) of glycan arrays is a crucial factor. Herein we report on approaches for surface and interface characterization relevant to the needs of production of glycan microarrays which were tested using model carbohydrate surfaces. For detailed characterization of glycan model surfaces we used a combination of X-ray photoelectron spectroscopy (XPS), near edge X-ray absorption fine structure spectroscopy (NEXAFS) and ToF SIMS which are complementary techniques of surface chemical analysis. Links to fluorescence spectroscopy often used for characterization in the microarray community were established as well. In detail, amine-reactive silicon oxide and glass surfaces were used for anchoring oligosaccharides with an amino linker. The amount of surface bound carbohydrates was estimated by X-ray photoelectron spectroscopy (XPS). Glycan immobilization was investigated using lectins, which are glycan-binding molecules. A shelf life study of model glycan microarrays on epoxy-coated glass surfaces was done over a period of 160 days under different storage conditions utilizing fluorescence, ToF-SIMS and XPS analysis. It was shown that glycan activity of the models used can be maintained at least for half a year of storage at 4 °C. KW - Glycan microarray KW - XPS KW - NEXAFS KW - ToF-SIMS KW - Fluorescence PY - 2018 UR - https://www.sciencedirect.com/science/article/pii/S0169433218320300?via%3Dihub DO - https://doi.org/10.1016/j.apsusc.2018.07.133 SN - 0169-4332 SN - 1873-5584 VL - 459 SP - 860 EP - 873 PB - Elsevier B.V. AN - OPUS4-46212 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wander, Lukas A1 - Vianello, A. A1 - Vollertsen, J. A1 - Westad, F. A1 - Braun, Ulrike A1 - Paul, Andrea T1 - Exploratory analysis of hyperspectral FTIR data obtained from environmental microplastics samples N2 - Hyperspectral imaging of environmental samples with infrared microscopes is one of the preferred methods to find and characterize microplastics. Particles can be quantified in terms of number, size and size distribution. Their shape can be studied and the substances can be identified. Interpretation of the collected spectra is a typical problem encountered during the analysis. The image datasets are large and contain spectra of countless particles of natural and synthetic origin. To supplement existing Analysis pipelines, exploratory multivariate data analysis was tested on two independent datasets. Dimensionality reduction with principal component analysis (PCA) and uniform manifold approximation and projection (UMAP) was used as a core concept. It allowed for improved visual accessibility of the data and created a chemical two-dimensional image of the sample. Spectra belonging to particles could be separated from blank spectra, reducing the amount of data significantly. Selected spectra were further studied, also applying PCA and UMAP. Groups of similar spectra were identified by cluster analysis using k-means, density based, and interactive manual clustering. Most clusters could be assigned to chemical species based on reference spectra. While the results support findings obtained with a ‘targeted analysis’ based on automated library search, exploratory analysis points the attention towards the group of unidientified spectra that remained and are otherwise easily overlooked. KW - Microplastics KW - FTIR KW - Exploratory analysis PY - 2020 DO - https://doi.org/10.1039/c9ay02483b VL - 12 IS - 6 SP - 781 EP - 791 PB - Royal Society of Chemistry AN - OPUS4-50396 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paul, S.C. A1 - Pirskawetz, Stephan A1 - Van Zijl, G.P.A.G. A1 - Schmidt, Wolfram T1 - Acoustic emission for characterising the crack propagation in strain-hardening cement-based composites (SHCC) N2 - This paper presents the analysis of crack propagation in strain-hardening cement-based composite (SHCC) under tensile and flexural load by using acoustic emission (AE). AE is a non-destructive technique to monitor the development of structural damage due to external forces. The main objective of this research was to characterise the cracking behaviour in SHCC in direct tensile and flexural tests by using AE. A better understanding of the development of microcracks in SHCC will lead to a better understanding of pseudo strain-hardening behaviour of SHCC and its general performance. ARAMIS optical deformation analysis was also used in direct tensile tests to observe crack propagation in SHCC materials. For the direct tensile tests, SHCC specimens were prepared with polyvinyl alcohol (PVA) fibre with three different volume percentages (1%, 1.85% and 2.5%). For the flexural test beam specimens, only a fibre dosage of 1.85% was applied. It was found that the application of AE in SHCC can be a good option to analyse the crack growth in the specimens under increasing load, the location of the cracks and most importantly the identification of matrix cracking and fibre rupture or slippage. KW - Acoustic emission KW - Crack Detection (B) KW - Microcracking (B) KW - Fibre Reinforcement (E) KW - Tensile Properties (C) PY - 2015 DO - https://doi.org/10.1016/j.cemconres.2014.12.003 SN - 0008-8846 SN - 1873-3948 VL - 69 SP - 19 EP - 24 PB - Pergamon Press CY - New York, NY AN - OPUS4-33579 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -