TY - JOUR A1 - Munir, R. A1 - Lisec, Jan A1 - Swinnen, J. V. A1 - Zaidi, N. T1 - Too complex to fail? Targeting fatty acid metabolism for cancer therapy N2 - Given the central role of fatty acids in cancer pathophysiology, the exploitation of fatty acid metabolism as a potential antineoplastic therapy has gained much attention. Several natural and synthetic compounds targeting fatty acid metabolism were hitherto identified, and their effectiveness against cancer cell proliferation and survival was determined. This review will discuss the most clinically viable inhibitors or drugs targeting various proteins or enzymes mapped on nine interconnected fatty acid metabolism-related processes. We will discuss the general significance of each of these processes and the effects of their inhibition on cancer cell progression. Moreover, their mechanisms of action, limitations, and future perspectives will be assessed. KW - Fatty acids KW - Fatty acid synthesis KW - Fatty acid desaturation KW - Fatty acid uptake KW - Cancer therapy PY - 2022 DO - https://doi.org/10.1016/j.plipres.2021.101143 SN - 0163-7827 VL - 85 SP - 1 EP - 12 PB - Elsevier AN - OPUS4-53864 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bornemann-Pfeiffer, Martin A1 - Kern, S. A1 - Wander, Lukas A1 - Meyer, Klas A1 - Maiwald, Michael T1 - Modular production involving Benchtop NMR: Current application examples driven by digitalization N2 - The demand for increasing product diversity in the chemical and pharmaceutical industry calls for new production processes that enable greater flexibility. Therefore, plants are needed which can be adapted to new processes in a fast manner and be scaled up and down easily to volatile market demands. Modular production techniques in combination with advanced process analytical technology (PAT) are considered as a promising solution able to fulfil these requirements. The success and acceptance of modular concepts in both new and existing plants is dependent of its reliability, easy applicability, and standardization. In recent past, enormous efforts were made to overcome existing barriers in a superordinate level, e.g. DEXPI [1], ENPRO [2], or MTP [3] naming just a few. Here, we’d like to present a few, more hands-on, application examples which are shown in Figure 1 aiming to increase process flexibility and applicability. This includes: a) The development of an additively manufactured mixer—flow reactor combination for the application inside of NMR instruments. [4] b) The application of automated, model-based approaches for model development and spectra evaluation. c) The application of machine-assisted spectral model building as a genuine alternative to classical model-based approaches [5] d) Improvement of NIR calibration through online available NMR reference data. [6] These examples represent miscellaneous use cases but result of the same fact: the increased use and availability of data through advanced PAT and therefore new opportunities utilizing them. T2 - SMASH - Small Molecule NMR Conference CY - Online meeting DA - 30.08.2021 KW - Process analytical technology KW - NMR spectroscopy KW - Automation PY - 2021 AN - OPUS4-53803 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schmid, Thomas A1 - Hidde, Julia A1 - Grünier, Sophie A1 - Jungnickel, Robert A1 - Dariz, P. A1 - Riedel, Jens A1 - Neuhaus, B. T1 - Ageing effects in mountig media of microscope slide samples from natural history collections: A case study with Canada balsam and Permount™ N2 - Microscope slide collections represent extremely valuable depositories of research material in a natural history, forensic, veterinary, and medical context. Unfortunately, most mounting media of these slides deteriorate over time, with the reason for this not yet understood at all. In this study, Raman spectroscopy, ultraviolet–visible (UV–Vis) spectroscopy, and different types of light microscopy were used to investigate the ageing behaviour of naturally aged slides from museum collections and the experimentally aged media of Canada balsam and Permount™, representing a natural and a synthetic resin, respectively, with both being based on mixtures of various terpenes. Whereas Canada balsam clearly revealed chemical ageing processes, visible as increasing colouration, Permount™ showed physical deterioration recognisable by the increasing number of cracks, which even often impacted a mounted specimen. Noticeable changes to the chemical and physical properties of these mounting media take decades in the case of Canada balsam but just a few years in the case of Permount™. Our results question whether or not Canada balsam should really be regarded as a mounting medium that lasts for centuries, if its increasing degree of polymerisation can lead to a mount which is no longer restorable. KW - Deterioration KW - Microscope slides KW - Mounting media KW - Raman spectroscopy KW - UV–Vis spectroscopy PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-537632 DO - https://doi.org/10.3390/polym13132112 VL - 13 IS - 13 SP - 1 EP - 27 PB - MDPI CY - Basel AN - OPUS4-53763 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Paul, Andrea A1 - Töpfer, Désirée A1 - Ruiken, J-P A1 - Illner, M A1 - Esche, E A1 - Repke, J A1 - Maiwald, Michael A1 - Meyer, Klas T1 - Raman spectroscopy for online monitoring of a homogeneous hydroformylation process in microemulsion N2 - An important industrial reaction is hydro¬formylation for the production of aldehydes from alkenes and syngas on the basis of homogeneous catalysis. The main cost factors of the processes currently used are product selectivity and the loss of the catalysts used. Therefore, various concepts for the hydroformylation of long-chain olefins have been developed, including hydroformylation in microemulsions, which is being investigated on a mini-plant scale at the Technical University of Berlin [1]. In this study, online Raman spectroscopy of the reaction of 1-dodecene to 1-tri¬decanal in a microemulsion was performed [2]. First, an experimental design was used to obtain a good representation of the operating range in the mini plant with respect to the concentrations of five reactants in a laboratory setup [3]. Based on the Raman spectra, Partial Least Squares (PLS) models for the prediction of 1-dodecene and 1-tride-decanal were calibrated and with these the reactions were predicted on a laboratory scale. In the next step, the PLS models were applied to online spectra from a mini-plant. This resulted in promising estimates of 1-tridecanal and acceptable predictions of 1-dodecene mass fractions. The predictive power of PLS models in this particular case was limited by unexpected by-product formation which, however, can easily be compensated by an extended calibration. Hence, Raman spectroscopy is a promising technique for process analysis in microemulsions. T2 - EuroPACT2021 CY - Online meeting DA - 15.11.2021 KW - Raman KW - Process analytics KW - Inline measurement PY - 2021 AN - OPUS4-53767 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fricke, F. A1 - Brandalero, M. A1 - Liehr, Sascha A1 - Kern, Simon A1 - Meyer, Klas A1 - Kowarik, Stefan A1 - Hierzegger, R. A1 - Westerdick, S. A1 - Maiwald, Michael A1 - Hübner, M. T1 - Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy Using a Novel Data Augmentation Method N2 - Mass Spectrometry (MS) and Nuclear Magnetic Resonance Spectroscopy (NMR) are valuable analytical and quality control methods for most industrial chemical processes as they provide information on the concentrations of individual compounds and by-products. These processes are traditionally carried out manually and by a specialist, which takes a substantial amount of time and prevents their utilization for real-time closed-loop process control. This paper presents recent advances from two projects that use Artificial Neural Networks (ANNs) to address the challenges of automation and performance-efficient realizations of MS and NMR. In the first part, a complete toolchain has been realized to develop simulated spectra and train ANNs to identify compounds in MS. In the second part, a limited number of experimental NMR spectra have been augmented by simulated spectra, to train an ANN with better prediction performance and speed than state-of-the-art analysis. These results suggest that, in the context of the digital transformation of the process industry, we are now on the threshold of a strongly simplified use of MS and MRS and the accompanying data evaluation by machine-supported procedures, and can utilize both methods much wider for reaction and process monitoring or quality control. KW - Industry 4.0 KW - Cyber-Physical Systems KW - Artificial Neural Networks KW - Mass Spectrometry KW - Nuclear Magnetic Resonance Spectroscopy KW - Modular Production PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-539412 UR - https://ieeexplore.ieee.org/stamp/stamp.jsp?tp=&arnumber=9638378 DO - https://doi.org/10.1109/TETC.2021.3131371 SN - 2168-6750 VL - 10 IS - 1 SP - 87 EP - 98 PB - IEEE AN - OPUS4-53941 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. A1 - Kornev, Roman A1 - Kornev, A. R. A1 - Ermakov, A. A. T1 - Laser dielectric breakdown as a novel method for producing molybdenum borides N2 - Superhard materials with a Vickers hardness in the range of 30-40 GPa are of great interest, both from a fundamental and a practical viewpoints, since they have outstanding mechanical, thermal and chemical properties. Molybdenum borides belong to this group of materials. A review of publications on synthesis of molybdenum boride indicates a) great interest in this superhard material and b) the need for new effective methods of its synthesis, especially in a nanocrystalline form. Very promising are the plasma-chemical methods based on laser induced breakdown. The breakdown can be created either in reactive gases containing volatile compounds of boron and molybdenum or on solid samples. For gas breakdown, molybdenum hexafluoride MoF6 and boron trifluoride BF3 were used in the mixture with hydrogen and argon; for solid breakdown, the pure molybdenum sample was ablated into the mixture of H2 and BF3. The plasma-chemical synthesis of MoxBy structures was carried out in the reactor shown in Figure. Laser breakdown was created by a pulsed Nd: YAG laser operating at 1064 nm with a 15 ns pulse duration, 5 Hz repetition rate, and 800 mJ pulse energy. The laser was focused by a 5 cm focal length lens to produce 26 J/cm3 energy density in the focal point. The ratios H2:BF3: MoF6 = 5:2:1 and H2:BF3 = 3:1 were used in a pressure range 30 - 760 Torr. After ablation in the mixture H2 + BF3 + MoF6, the deposit contained an amorphous phase with a small impurity of crystalline molybdenum and no boride phase. After ablation of metallic Mo into H2 + BF3, the main phase was MoB2 in the form of nano dispersed powder with an average grain size of 100 nm. The degree of conversion of boron trifluoride and the yield of molybdenum boride were studied as a function of pressure. It was established that 30 Torr is optimal for the formation of MoB2. This work was supported by the Russian Science Foundation grant No. 20-13-00035. T2 - Euro-Mediterranean Symposium on Laser-Induced Breakdown Spectroscopy CY - Online meeting DA - 29.11.2021 KW - Plasma enhanced chemical deposition KW - Laser induced plasma KW - Plasma chemistry KW - Molybdenum boride PY - 2021 AN - OPUS4-53901 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Jens A1 - Abad Andrade, Carlos Enrique A1 - Recknagel, Sebastian A1 - Vogl, Jochen A1 - Gornushkin, Igor B. T1 - Recent Trends in Inexpensive Lithium Isotopic Analysis N2 - Lithium exists in two stable isotopes, 6Li and 7Li. The ratio of these in every ore varies depending on the geological history of the sample, thus providing a tool for fingerprinting the distinct origin of Li containing samples. Determination of the exact isotope ratio for e.g. designation of provenance today relies on expensive and bulky instrumentation such as multi `collector inductively coupled plasma mass spectrometry` (MC-ICP-MS). These instruments, however, are known to bear pitfalls in the characterization of particular elements including Lithium. BAM recently developed two alternative analytical devices for this task, solely relying on inexpensive optical spectroscopy in combination with state-of-the-art multivariate data analysis such as Machine learning algorithms. Both techniques have been comprehensively studied using certified reference materials and comparing the results to MC-ICP-MS results and could be shown to result in comparable figures of merit, paving the way for a more general accessibility to provenance determination instrumentation. The results also pave the way towards even further simplification of the laboratory infrastructure demands and to further include additional elements into the isotopic fingerprinting methodology. T2 - Lithium-Days CY - Halle, Germany DA - 06.12.2021 KW - Lithium KW - Isotopes KW - Optical Spectroscopy PY - 2021 AN - OPUS4-53966 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meyer, Klas A1 - Kern, S. A1 - Guhl, Svetlana A1 - Bornemann-Pfeiffer, Martin A1 - Wander, L. A1 - Kowarik, S. A1 - Liehr, S. A1 - Maiwald, Michael T1 - Modular process control with compact NMR spectroscopy - From field integration to automated data analysis N2 - Chemical companies must find new paths to stay productive in a rapidly changing environment. One of these is the potential of digital technologies. Flexible and modular chemical plants can produce various high-quality products using multi-purpose equipment with short downtimes between campaigns and reduce time to market. Process safety is improved due to smaller amounts processed and the abilities of efficient heat-transfer allow for otherwise difficult-to-produce compounds. To exploit these advantages, a fully automated process control along with real-time quality control is mandatory and should be based on “chemical” information. The advances of a fully automated NMR analyzer were demonstrated, using a given pharmaceutical reaction step operated within a modular pilot plant. A commercially available benchtop NMR spectrometer was integrated to the requirements of an automated chemical production environment such as explosion safety, field communication, and robust data evaluation. Obtained results were used for direct loop advanced process control and real-time optimization of the process. NMR spectroscopy appeared as excellent online analytical tool and allowed a modular data analysis approach, which even served as reliable reference method for further PAT applications. Using the available datasets, a second data analysis approach based on artificial neural networks (ANN) was evaluated.Therefore, amount of data was augmented to be sufficient for training. The results show comparable performance, while improving the calculation time tremendously. In future, such fully integrated and interconnecting “smart” systems and processes can increase the efficiency of the production of specialty chemicals and pharmaceuticals. T2 - 5th European Conference on Process Analytics and Control Technology (EuroPACT) CY - Online meeting DA - 15.11.2021 KW - NMR spectroscopy KW - Benchtop-NMR KW - Modular production KW - Process Analytical Technology PY - 2021 AN - OPUS4-53776 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Meyer, Klas A1 - Abele, M. A1 - Falkenstein, S. A1 - Friedrich, Y. A1 - Kern, Simon A1 - Korth, K. A1 - Maiwald, Michael T1 - Industrial Applications of Low-Field NMR Spectroscopy for Process and Quality Control of Silanes N2 - The combination of different silanes as starting materials and as a product of hydrolysis by several alcohols or water creates a range of hundreds of technical products for a wide range of applications. In recent years, functional trialkoxysilanes have proven to be multi-purpose organosilanes. Applications range from weather protection of buildings to bonding-imparting properties in the glass fiber industry, for sealants and adhesives, for coatings and paints to the modification of polymer materials. Commercial benchtop NMR spectrometers have the potential to be used in silane chemistry as an online method for reaction monitoring and quality control [1]. Interesting NMR nuclei for the above-mentioned products are 1H and 29Si. In a joint research cooperation between EVONIK and BAM, the applicability of low-field NMR spectroscopy for the chemical analysis of silanes was evaluated based on various case studies. In the course of the case studies it was shown how low-field NMR spectroscopy extends the application range of chemical analysis to new applications where existing technologies such as NIR, Raman, UV/VIS, etc. cannot be used quantitatively due to lack of reference data. T2 - 5th European Conference on Process Analytics and Control Technology (EuroPACT) CY - Online meeting DA - 15.11.2021 KW - NMR spectroscopy KW - Benchtop-NMR KW - Silanes KW - Quality Control PY - 2021 AN - OPUS4-53777 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Westwood, S. A1 - Martos, G. A1 - Josephs, R. A1 - Choteau, T. A1 - Wielgosz, R. A1 - Davies, S. A1 - Moawad, M. A1 - Tarrant, G. A1 - Chan, B. A1 - Alamgir, M. A1 - de Rego, E. A1 - Wollinger, W. A1 - Garrido, B. A1 - Fernandes, J. A1 - de Sena, R. A1 - Oliveira, R. A1 - Melanson, J. A1 - Bates, J. A1 - Mai Le, P. A1 - Meija, J. A1 - Quan, C. A1 - Huang, T. A1 - Zhang, W. A1 - Ma, R. A1 - Zhang, S. A1 - Hao, Y. A1 - He, Y. A1 - Song, S. A1 - Wang, H. A1 - Su, F. A1 - Zhang, T. A1 - Li, H. A1 - Lam, W. A1 - Wong, W. A1 - Fung, W. A1 - Philipp, Rosemarie A1 - Dorgerloh, Ute A1 - Meyer, Klas A1 - Piechotta, Christian A1 - Riedel, Juliane A1 - Westphalen, Tanja A1 - Giannikopoulou, P. A1 - Alexopoulos, Ch. A1 - Kakoulides, E. A1 - Kitamaki, Y. A1 - Yamazaki, T. A1 - Shimizu, Y. A1 - Kuroe, M. A1 - Numata, M. A1 - Pérez-Castorena, A. A1 - Balderas-Escamilla, M. A1 - Garcia-Escalante, J. A1 - Krylov, A. A1 - Mikheeva, A. A1 - Beliakov, M. A1 - Palagina, M. A1 - Tkachenko, I. A1 - Spirin, S. A1 - Smirnov, V. A1 - Tang Lin, T. A1 - Pui Sze, C. A1 - Juan, W. A1 - Lingkai, W. A1 - Ting, L. A1 - Quinde, L. A1 - Yizhao, C. A1 - Lay Peng, S. A1 - Fernandes-Whaley, M. A1 - Prevoo-Franzsen, D. A1 - Quinn, L. A1 - Nhlapo, N. A1 - Mkhize, D. A1 - Marajh, D. A1 - Chamane, S. A1 - Ahn, S. A1 - Choi, K. A1 - Lee, S. A1 - Han, J. A1 - Baek, S. A1 - Kim, B. A1 - Marbumrung, S. A1 - Jongmesuk, P. A1 - Shearman, K. A1 - Boonyakong, C. A1 - Bilsel, M. A1 - Gündüz, S. A1 - Ün, I. A1 - Yilmaz, H. A1 - Bilsel, G. A1 - Gökçen, T. A1 - Clarkson, C. A1 - Warren, J. A1 - Achtar, E. T1 - Mass fraction assignment of Bisphenol-A high purity material N2 - The CCQM-K148.a comparison was coordinated by the BIPM on behalf of the CCQM Organic Analysis Working Group for NMIs and DIs which provide measurement services in organic analysis under the CIPM MRA. It was undertaken as a "Track A" comparison within the OAWG strategic plan. CCQM-K148.a demonstrates capabilities for assigning the mass fraction content of a solid organic compound having moderate molecular complexity, where the compound has a molar mass in the range (75 - 500) g/mol and is non-polar (pKow < −2), when present as the primary organic component in a neat organic solid and where the mass fraction content of the primary component in the material is in excess of 950 mg/g. Participants were required to report the mass fraction of Bisphenol A present in one supplied unit of the comparison material. Participants using a mass balance method for the assignment were also required to report their assignments of the impurity components present in the material. Methods used by the seventeen participating NMIs or DIs were predominantly based on either stand-alone mass balance (summation of impurities) or qNMR approaches, or the combination of data obtained using both methods. The results obtained using thermal methods based on freezing-point depression methods were also reported by a limited number of participants. There was excellent agreement between assignments obtained using all three approaches to assign the BPA content. The assignment of the values for the mass fraction content of BPA consistent with the KCRV was achieved by most of the comparison participants with an associated relative standard uncertainty in the assigned value in the range (0.1 - 0.5)%. KW - Bisphenol-A KW - Purity assessment KW - Interlaboratory key comparison KW - Metrology PY - 2021 DO - https://doi.org/10.1088/0026-1394/58/1A/08015 VL - 58 IS - 1A SP - 08015 PB - IOP Publishing AN - OPUS4-54188 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoffmann, A. A1 - Lischeid, G. A1 - Koch, Matthias A1 - Lentzsch, P. A1 - Sommerfeld, Thomas A1 - Müller, M.H. T1 - Co-Cultivation of Fusarium, Alternaria, and Pseudomonas on Wheat-Ears Affects Microbial Growth and Mycotoxin Production N2 - Mycotoxigenic fungal pathogens Fusarium and Alternaria are a leading cause of loss in cereal production. On wheat-ears, they are confronted by bacterial antagonists such as pseudomonads. Studies on these groups’ interactions often neglect the infection process’s temporal aspects and the associated priority effects. In the present study, the focus was on how the first colonizer affects the subsequent ones. In a climate chamber experiment, wheat-ears were successively inoculated with two different strains (Alternaria enuissima At625, Fusarium graminearum Fg23, or Pseudomonas simiae Ps9). Over three weeks, microbial abundances and mycotoxin concentrations were analyzed and visualized via Self Organizing Maps with Sammon Mapping (SOM-SM). All three strains revealed different characteristics and strategies to deal with co-inoculation: Fg23, as the first colonizer, suppressed the establishment of At625 and Ps9. Nevertheless, primary inoculation of At625 reduced all of the Fusarium toxins and stopped Ps9 from establishing. Ps9 showed priority effects in delaying and blocking the production of the fungal mycotoxins. The SOM-SM analysis visualized the competitive strengths: Fg23 ranked first, At625 second, Ps9 third. Our findings of species-specific priority effects in a natural environment and the role of the mycotoxins involved are relevant for developing biocontrol strategies. KW - Antagonists KW - Microbe interactions KW - Mycotoxins KW - Priority effect KW - SOM-SM PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-521554 DO - https://doi.org/10.3390/microorganisms9020443 VL - 9 IS - 2 SP - 443 PB - MDPI AN - OPUS4-52155 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Thinnes, A. A1 - Westenberger, M. A1 - Piechotta, Christian A1 - Letho, L. A1 - Wirth, F. A1 - Lau, H. A1 - Klein, J. T1 - Cholinergic and metabolic effects of metformin in mouse brain N2 - Metformin is widely used as a first-line treatment for type 2 diabetes, but central effects of metformin have received little attention. When metformin (200 mg/kg i.p.) was administered to C57Bl6 mice, metformin concentration in cerebrospinal fluid peaked at 29 μM after 30 min but dropped quickly and was low at 90 min. In mouse hypothalamus sampled by microdialysis, systemically administered metformin caused minor and transient increases of acetylcholine, glucose and lactate while choline levels decreased. When metformin (0.2−10 mM) was locally infused via retrodialysis, there was a short-lasting increase of acetylcholine in the hypothalamus. Extracellular lactate levels in hypothalamus showed a massive increase upon metformin infusion while glucose levels decreased. In isolated mitochondria of mouse brain, metformin inhibited oxygen consumption and the activity of complex I. Inhibition of mitochondrial respiration likely explains lactate formation in the brain during metformin infusion which may cause lactic acidosis during metformin intoxication. The changes of cholinergic activity in the hypothalamus may be associated with appetite suppression observed during metformin treatment. KW - Metformin KW - Blood-brain barrier KW - Lactate KW - Glucose KW - Microdialysis KW - Hypothalamus PY - 2021 DO - https://doi.org/10.1016/j.brainresbull.2021.02.018 SN - 0361-9230 VL - 170 SP - 211 EP - 217 PB - Elsevier CY - Amsterdam, Niederlande AN - OPUS4-52189 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Soraya A1 - Schneider, Rudolf T1 - Smartphone-based amperometric detection of 3,3′,5,5′-tetramethylbenzidine (TMB) – An immunomagnetic Ochratoxin A assay N2 - The demand for miniaturized analytical devices monitoring important parameters in the food and medical industry has increased strongly in the past decades. With fast progress, smart technologies are finding their way into our everyday life. For the future, it is, therefore, a major goal to also link analytical methods with smart technologies to create user-friendly on-site devices. In food industry the monitoring of harmful substances such as dioxins, heavy metals or mycotoxins plays a key role, since the European Commission prescribes legal limits for various food products and beverages[1]. Therefore, companies often have their own laboratories and trained personnel. For one of the most abundant and toxic mycotoxins, Ochratoxin A (OTA) we want to present an electrochemical detection system in which the read-out can be performed with a smartphone connected via Bluetooth to a miniaturized potentiostat. The recognition of OTA is performed with specific antibodies in a competitive assay format. Anti-OTA-antibodies were captured on magnetic beads on which the competitive binding between OTA and an OTA horseradish peroxidase (HRP) tracer was performed. To quantify OTA, the enzymatic reaction of the tracer with 3,3′,5,5′-tetramethylbenzidine (TMB) and H2O2 is employed. Oxidized TMB, which is enzymatically produced by the reduction of H2O2, is quantified by amperometry with screen-printed electrodes in a custom-made flow system. Since it is well-known that oxidized TMB can precipitate on electrode surfaces[2], we have studied pitfalls of the electrochemical detection of TMB. By cyclic voltammetry we have compared the stability of the electrochemistry of TMB at different electrode materials (gold and carbon) and pH values (pH 1 and pH 4). It was found that a stable response of the electrode could be achieved at pH 1 on gold electrodes. Thus, we applied these reaction conditions for amperometric detection of TMB in the OTA assay. The results of the electrochemical detection method are in good correlation with the photometric detection of TMB. To demonstrate the applicability, we tested our system with OTA-spiked beer and performed the measurement via smartphone. T2 - European Biosensor Symposium 2021 CY - Online meeting DA - 09.03.2021 KW - Ochratoxin A KW - Cyclic voltammetry KW - Amperometry KW - Smartphone KW - Immunoassay PY - 2021 N1 - Geburtsname von Riedel, Soraya: Höfs, S. - Birth name of Riedel, Soraya: Höfs, S. AN - OPUS4-52269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Riedel, Soraya A1 - Talke, A. A1 - Lisdat, F. T1 - Enzyme activity determination of human monoamine oxidase B (Mao B) by amperometric hydrogen peroxide detection N2 - Parkinson’s disease (PD) is one of the most common neurodegenerative disorders worldwide. About 0.3 % of the global population and approximately 2 % of people older than 80 years are affected by PD. Monoamine oxidase B (Mao B) is an enzyme, which is a drug target in Parkinson’s disease (PD), since it is involved in dopamine metabolism. Several Mao B inhibitors are well established as medication for PD patients. However, the medical treatment is only little personalized since the monitoring of the patients Mao B activity is complex and requires sophisticated laboratory equipment. Here a sensorial Mao B activity determination system has been developed which has potential in the personalization of the medical PD treatment. The enzyme activity is quantified by amperometric detection of enzymatically produced H2O2. Therefore, the enzyme is enriched from the solution via cellulose particles which are functionalized with antibodies against human Mao B. The successful capturing of the enzyme can be verified by SDS-PAGE. For activity determination the enzyme is brought in contact with a suitable substrate - here benzylamine. Selectivity of the amperometric hydrogen peroxide detection in the presence of co-reactants has been verified. Within the time span of 30 min, a linear dependency of enzymatically produced H2O2 with the substrate incubation time can be observed. This allows the evaluation of the Mao B activity. The results have been correlated to an optical detection method. Furthermore, the method has been tested for different amounts of enzyme used in the experiments and found to be sensitive enough for Mao B analysis in blood samples. T2 - European Biosensor Symposium 2021 CY - Online meeting DA - 09.03.2021 KW - Monoamine oxidase B KW - Amperometry KW - Prussian blue KW - Parkinsons's disease KW - Screen-printed electrodes PY - 2021 N1 - Geburtsname von Riedel, Soraya: Höfs, S. - Birth name of Riedel, Soraya: Höfs, S. AN - OPUS4-52270 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Recknagel, Sebastian T1 - Certified reference material for the determination of hydrolytic resistance of borosilicate glass N2 - The preparation, analysis and certification of a new certified glass reference material (CRM) for the determination of hydrolytic resistance of borosilicate glass with the glass grains test is described. The CRM BAM-S053 is available in the form of glass rods (length: 185 mm, diameter: 9 mm, weight: 27·5 g). Certified properties are the acid consumption determined according to the procedures described in ISO 720, USP<660>, Ph.Eur. 3.2.1, data obtained following the procedure of ISO 719 was scattering too widely. The certified values are based on the results of 15 laboratories which participated in the certification interlaboratory comparison. The CRM is intended for the quality control when applying ISO 720, USP<660>, Ph.Eur. 3.2.1 and with limitations ISO 719. KW - CRM KW - Hydrolytic resistance KW - Borosilicate glass PY - 2021 DO - https://doi.org/10.13036/17533562.62.1.001 VL - 62 IS - 1 SP - 25 EP - 27 AN - OPUS4-52195 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rühle, Bastian A1 - Hodoroaba, Vasile-Dan T1 - Automatic Image Segmentation and Analysis using Neural Networks N2 - We present a workflow for obtaining fully trained artificial neural networks that can perform automatic particle segmentations of agglomerated, non-spherical nanoparticles from electron microscopy images “from scratch”, without the need for large training data sets of manually annotated images. This is achieved by using unsupervised learning for most of the training dataset generation, making heavy use of generative adversarial networks and especially unpaired image-to-image translation via cycle-consistent adversarial networks. The whole process only requires about 15 minutes of hands-on time by a user and can typically be finished within less than 12 hours when training on a single graphics card (GPU). After training, SEM image analysis can be carried out by the artificial neural network within seconds, and the segmented images can be used for automatically extracting and calculating various other particle size and shape descriptors. T2 - Machine Learning Workshop CY - Online Meeting DA - 18.03.2021 KW - Electron Microscopy KW - Neural Networks KW - Artificial Intelligence KW - Image Segmentation KW - Automated Image Analysis PY - 2021 AN - OPUS4-52304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rühle, Bastian A1 - Krumrey, Julian Frederic A1 - Hodoroaba, Vasile-Dan T1 - Workflow towards automated segmentation of agglomerated, non‑spherical particles from electron microscopy images using artificial neural networks N2 - We present a workflow for obtaining fully trained artificial neural networks that can perform automatic particle segmentations of agglomerated, non-spherical nanoparticles from scanning electron microscopy images “from scratch”, without the need for large training data sets of manually annotated images. The whole process only requires about 15 minutes of hands-on time by a user and can typically be finished within less than 12 hours when training on a single graphics card (GPU). After training, SEM image analysis can be carried out by the artificial neural network within seconds. This is achieved by using unsupervised learning for most of the training dataset generation, making heavy use of generative adversarial networks and especially unpaired image-to-image translation via cycle-consistent adversarial networks. We compare the segmentation masks obtained with our suggested workflow qualitatively and quantitatively to state-of-the-art methods using various metrics. Finally, we used the segmentation masks for automatically extracting particle size distributions from the SEM images of TiO2 particles, which were in excellent agreement with particle size distributions obtained manually but could be obtained in a fraction of the time. KW - Electron microscopy KW - Neural networks KW - Artificial intelligence KW - Image segmentation KW - Automated image analysis PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-522454 DO - https://doi.org/10.1038/s41598-021-84287-6 VL - 11 IS - 1 SP - 4942 PB - Springer Nature AN - OPUS4-52245 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rühle, Bastian A1 - Krumrey, Julian Frederic A1 - Hodoroaba, Vasile-Dan T1 - Dataset accompanying the publication "Workflow towards automated segmentation of agglomerated, non-spherical particles from electron microscopy images using artificial neural networks" N2 - This dataset accompanies the following publication, first published in Scientific Reports (www.nature.com/articles/s41598-021-84287-6): B. Ruehle, J. Krumrey, V.-D. Hodoroaba, Scientific Reports, Workflow towards Automated Segmentation of Agglomerated, Non-Spherical Particles from Electron Microscopy Images using Artificial Neural Networks, DOI: 10.1038/s41598-021-84287-6 It contains electron microscopy micrographs of TiO2 particles, the corresponding segmentation masks, and their classifications into different categories depending on their visibility/occlusion. Please refer to the publication and its supporting information for more details on the acquisition and contents of the dataset, as well as the GitHub repository at https://github.com/BAMresearch/automatic-sem-image-segmentation KW - Electron microscopy KW - Neural networks KW - Image segmentation KW - Automated image analysis PY - 2021 DO - https://doi.org/10.5281/zenodo.4563942 PB - Zenodo CY - Geneva AN - OPUS4-52246 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jakubowski, N. A1 - Borrmann, S. A1 - Recknagel, Sebastian A1 - Roik, Janina A1 - Rickert, F. T1 - Comparison of peristaltic pumps used for sample introduction in Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) N2 - In this investigation, two conventional peristaltic pumps are compared with a new pump based on the “easy click” principle using a simultaneous ICP-AES instrument with standard operating conditions. It is found that the figures of merit achieved are quite comparable for all three pumps. Relative standard deviations (RSDs) range between 0.2% and 1.8%, and limits of detection as low as 0.1 μg/L have been achieved , demonstrating that the easy click principle of the new pump does not compromise the analytical figures of merit. KW - ICP-AES KW - Peristaltic pumps KW - ICP-MS PY - 2020 IS - 35 / S4 SP - 6 AN - OPUS4-52020 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Solovyev, N. A1 - El-Khatib, Ahmed A1 - Costas-Rodrigues, M. A1 - Schwab, K. A1 - Griffin, E. A1 - Raab, A. A1 - Platt, B. A1 - Theuring, F. A1 - Vogl, Jochen A1 - Vanhaecke, F. T1 - Cu, Fe and Zn isotope ratios in murine Alzheimer's disease models suggest specific signatures of amyloidogenesis and tauopathy N2 - Alzheimer’s disease (AD) is characterized by accumulation of tau and amyloid-beta in the brain, and recent evidence suggests a correlation between associated protein aggregates and trace elements, such as copper, iron and zinc. In AD, distorted brain redox homeostasis and complexation by amyloid-beta and hyperphosphorylated tau May alter the isotopic composition of essential mineral elements. Therefore, high-precision isotopic analysis may reveal changes in the homeostasis of these elements. We used inductively coupled plasma-mass spectrometry (ICP-MS)-based techniques to determine the total Cu, Fe and Zn contents in the brain, as well as their isotopic compositions in both mouse brain and serum. Results for male transgenic tau (Line 66, L66) and amyloid/presenilin (5xFAD) mice were compared to those for the corresponding age- and gendermatched wild-type control mice (WT). Our data show that L66 brains showed significantly higher Fe levels than the corresponding WT. Significantly less Cu, but more Zn was found in 5xFAD brains. We observed significantly lighter isotopic compositions of Fe (enrichment in the lighter isotopes) in the brain, and in serum of L66 mice compared to WT. For 5xFAD mice, Zn exhibited a trend towards a lighter isotopic composition in brain and a heavier isotopic composition in serum compared to WT. Neither mouse model yielded differences in the isotopic composition of Cu. Our findings indicate significant pathology-specific alterations of Fe and Zn brain homeostasis in mouse models of AD. The associated changes in isotopic composition May serve as a marker for proteinopathies Underlying AD and other types of dementia. KW - Alzheimer’s disease KW - Tau KW - Amyloid-beta KW - Copper KW - Iron KW - Zinc KW - Multi-collector inductively coupled plasma-mass spectrometry (ICP-MS) KW - Brain KW - Serum KW - Isotopic analysis KW - Total element determination PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-520214 DO - https://doi.org/10.1016/j.jbc.2021.100292 VL - 296 SP - 100292 PB - Elsevier Inc. CY - Amsterdam AN - OPUS4-52021 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -