TY - JOUR A1 - Monakhova, Yulia A1 - Soboleva, Polina M. A1 - Fedotova, Elena S. A1 - Musina, Kristina T. A1 - Burmistrova, Natalia A. T1 - Quantum chemical calculations of IR spectra of heparin disaccharide subunits JF - Computational and Theoretical Chemistry N2 - Heparin is a natural polysaccharide, which plays essential role in many biological processes. Alterations in building blocks can modify biological roles of commercial heparin products, due to significant changes in the conformation of the polymer chain. The variability structure of heparin leads to difficulty in quality control using different analytical methods, including infrared (IR) spectroscopy. In this paper molecular modelling of heparin disaccharide subunits was performed using quantum chemistry. The structural and spectral parameters of these disaccharides have been calculated using RHF/6-311G. In addition, over-sulphated chondroitin sulphate disaccharide was studied as one of the most widespread contaminants of heparin. Calculated IR spectra were analyzed with respect to specific structure parameters. IR spectroscopic fingerprint was found to be sensitive to substitution pattern of disaccharide subunits. Vibrational assignments of calculated spectra were correlated with experimental IR spectral bands of native heparin. Chemometrics was used to perform multivariate analysis of simulated spectral data. KW - IR spectroscopy KW - Chemometrics KW - Quantum chemistry KW - Molecular modelling KW - Quality control Y1 - 2022 SN - 2210-271X U6 - http://dx.doi.org/10.1016/j.comptc.2022.113891 VL - 1217 IS - Article number: 113891 PB - Elsevier CY - New York, NY ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Nuclear magnetic resonance spectroscopy as an elegant tool for a complete quality control of crude heparin material JF - Journal of Pharmaceutical and Biomedical Analysis N2 - Nuclear magnetic resonance (NMR) spectrometric methods for the quantitative analysis of pure heparin in crude heparin is proposed. For quantification, a two-step routine was developed using a USP heparin reference sample for calibration and benzoic acid as an internal standard. The method was successfully validated for its accuracy, reproducibility, and precision. The methodology was used to analyze 20 authentic porcine heparinoid samples having heparin content between 4.25 w/w % and 64.4 w/w %. The characterization of crude heparin products was further extended to a simultaneous analysis of these common ions: sodium, calcium, acetate and chloride. A significant, linear dependence was found between anticoagulant activity and assayed heparin content for thirteen heparinoids samples, for which reference data were available. A Diffused-ordered NMR experiment (DOSY) can be used for qualitative analysis of specific glycosaminoglycans (GAGs) in heparinoid matrices and, potentially, for quantitative prediction of molecular weight of GAGs. NMR spectrometry therefore represents a unique analytical method suitable for the simultaneous quantitative control of organic and inorganic composition of crude heparin samples (especially heparin content) as well as an estimation of other physical and quality parameters (molecular weight, animal origin and activity). KW - NMR spectroscopy KW - Heparin KW - Crude heparin KW - USP KW - Ions Y1 - 2022 U6 - http://dx.doi.org/10.1016/j.jpba.2022.114915 SN - 0731-7085 VL - 219 IS - Article number: 114915 PB - Elsevier CY - New York, NY ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent JF - Journal of Pharmaceutical and Biomedical Analysis N2 - NMR standardization approach that uses the 2H integral of deuterated solvent for quantitative multinuclear analysis of pharmaceuticals is described. As a proof of principle, the existing NMR procedure for the analysis of heparin products according to US Pharmacopeia monograph is extended to the determination of Na+ and Cl- content in this matrix. Quantification is performed based on the ratio of a 23Na (35Cl) NMR integral and 2H NMR signal of deuterated solvent, D2O, acquired using the specific spectrometer hardware. As an alternative, the possibility of 133Cs standardization using the addition of Cs2CO3 stock solution is shown. Validation characteristics (linearity, repeatability, sensitivity) are evaluated. A holistic NMR profiling of heparin products can now also be used for the quantitative determination of inorganic compounds in a single analytical run using a single sample. In general, the new standardization methodology provides an appealing alternative for the NMR screening of inorganic and organic components in pharmaceutical products. KW - NMR spectroscopy KW - Inorganic ions KW - Heparin KW - Standardization Y1 - 2022 SN - 0731-7085 U6 - http://dx.doi.org/10.1016/j.jpba.2021.114530 VL - 209 IS - Article number: 114530 PB - Elsevier ER - TY - JOUR A1 - Molinnus, Denise A1 - Janus, Kevin Alexander A1 - Fang, Anyelina C. A1 - Drinic, Aleksander A1 - Achtsnicht, Stefan A1 - Köpf, Marius A1 - Keusgen, Michael A1 - Schöning, Michael Josef T1 - Thick-film carbon electrode deposited onto a biodegradable fibroin substrate for biosensing applications JF - Physica status solidi (a) N2 - This study addresses a proof-of-concept experiment with a biocompatible screen-printed carbon electrode deposited onto a biocompatible and biodegradable substrate, which is made of fibroin, a protein derived from silk of the Bombyx mori silkworm. To demonstrate the sensor performance, the carbon electrode is functionalized as a glucose biosensor with the enzyme glucose oxidase and encapsulated with a silicone rubber to ensure biocompatibility of the contact wires. The carbon electrode is fabricated by means of thick-film technology including a curing step to solidify the carbon paste. The influence of the curing temperature and curing time on the electrode morphology is analyzed via scanning electron microscopy. The electrochemical characterization of the glucose biosensor is performed by amperometric/voltammetric measurements of different glucose concentrations in phosphate buffer. Herein, systematic studies at applied potentials from 500 to 1200 mV to the carbon working electrode (vs the Ag/AgCl reference electrode) allow to determine the optimal working potential. Additionally, the influence of the curing parameters on the glucose sensitivity is examined over a time period of up to 361 days. The sensor shows a negligible cross-sensitivity toward ascorbic acid, noradrenaline, and adrenaline. The developed biocompatible biosensor is highly promising for future in vivo and epidermal applications. KW - biocompatible materials KW - biodegradable electronic devices KW - biosensors KW - carbon electrodes KW - glucose Y1 - 2022 U6 - http://dx.doi.org/10.1002/pssa.202200100 SN - 1862-6319 N1 - Corresponding author: Michael J. Schöning VL - 219 IS - 23 SP - 1 EP - 9 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Molinnus, Denise A1 - Iken, Heiko A1 - Johnen, Anna Lynn A1 - Richstein, Benjamin A1 - Hellmich, Lena A1 - Poghossian, Arshak A1 - Knoch, Joachim A1 - Schöning, Michael Josef T1 - Miniaturized pH-Sensitive Field-Effect Capacitors with Ultrathin Ta₂O₅ Films Prepared by Atomic Layer Deposition JF - physica status solidi (a) applications and materials science N2 - Miniaturized electrolyte–insulator–semiconductor capacitors (EISCAPs) with ultrathin gate insulators have been studied in terms of their pH-sensitive sensor characteristics: three different EISCAP systems consisting of Al–p-Si–Ta2O5(5 nm), Al–p-Si–Si3N4(1 or 2 nm)–Ta2O5 (5 nm), and Al–p-Si–SiO2(3.6 nm)–Ta2O5(5 nm) layer structures are characterized in buffer solution with different pH values by means of capacitance–voltage and constant capacitance method. The SiO2 and Si3N4 gate insulators are deposited by rapid thermal oxidation and rapid thermal nitridation, respectively, whereas the Ta2O5 film is prepared by atomic layer deposition. All EISCAP systems have a clear pH response, favoring the stacked gate insulators SiO2–Ta2O5 when considering the overall sensor characteristics, while the Si3N4(1 nm)–Ta2O5 stack delivers the largest accumulation capacitance (due to the lower equivalent oxide thickness) and a higher steepness in the slope of the capacitance–voltage curve among the studied stacked gate insulator systems. KW - atomic layer deposition KW - capacitive field-effect sensors KW - pH sensors KW - ultrathin gate insulators Y1 - 2022 U6 - http://dx.doi.org/10.1002/pssa.202100660 SN - 1862-6319 VL - 219 IS - 8 PB - Wiley-VCH CY - Weinheim ER - TY - CHAP A1 - Milijaš, Aleksa A1 - Šakić, Bogdan A1 - Marinković, Marko A1 - Butenweg, Christoph A1 - Gams, Matija A1 - Klinkel, Sven ED - Arion, Cristian ED - Scupin, Alexandra ED - Ţigănescu, Alexandru T1 - Effects of prior in-plane damage on out-of-plane response of masonry infills with openings T2 - The Third European Conference on Earthquake Engineering and Seismology September 4 – September 9, 2022, Bucharest N2 - Masonry infill walls are the most traditional enclosure system that is still widely used in RC frame buildings all over the world, particularly in seismic active regions. Although infill walls are usually neglected in seismic design, during an earthquake event they are subjected to in-plane and out-of-plane forces that can act separately or simultaneously. Since observations of damage to buildings after recent earthquakes showed detrimental effects of in-plane and out-of-plane load interaction on infill walls, the number of studies that focus on influence of in-plane damage on out-of-plane response has significantly increased. However, most of the xperimental campaigns have considered only solid infills and there is a lack of combined in-plane and out-of-plane experimental tests on masonry infills with openings, although windows and doors strongly affect seismic performance. In this paper, two types of experimental tests on infills with window openings are presented. The first is a pure out-of-plane test and the second one is a sequential in-plane and out-of-plane test aimed at investigating the effects of existing in-plane damage on outof-plane response. Additionally, findings from two tests with similar load procedure that were carried out on fully infilled RC frames in the scope of the same project are used for comparison. Test results clearly show that window opening increased vulnerability of infills to combined seismic actions and that prevention of damage in infills with openings is of the utmost importance for seismic safety. KW - Seismic loading KW - In-plane load KW - Out-of-plane load KW - Interaction KW - Window opening Y1 - 2022 SN - 978-973-100-533-1 SP - 2747 EP - 2756 ER - TY - THES A1 - Meyer, Laura A1 - Van der Steeg, Yasmeena T1 - Heimat : ein interaktives und informatives Erlebnis zur individuellen Definition von Heimat N2 - "Heimat" - Ein Begriff, der in den vergangenen Jahren wieder an Brisanz gewonnen hat. Die aktuelle Definition im Duden beschreibt ihn als Geburts- oder Wohnort. Aber hat Heimat wirklich nur eine Definition? Durch ein begehbares Erlebnis werden die Betrachter:Innen Schritt für Schritt an den Heimatbegriff herangeführt. Neben der aktuellen Defintion werden sie über den Wandel des Heimatbegriffs und seiner Bedeutung in der Geschichte der letzten Jahrhunderte aufgeklärt. Darüber hinaus können sie andere Heimaten entdecken und im Anschluss an einem interaktiven Tisch spielerisch eigene Heimatdefinitionen finden und sie mit denen der Anderen vergleichen. Die Arbeit soll veranschaulichen, wie individuell der Heimatbegriff ist und dass sich eben hinter jeder sogenannten Heimat eine ganz persönliche Geschichte verbirgt. KW - Heimat KW - interaktiv KW - Definition KW - Ausstellung KW - Gefühl Y1 - 2022 PB - FH Aachen CY - Aachen ER - TY - CHAP A1 - Mertens, Alexander A1 - Brauner, Philipp A1 - Baier, Ralph A1 - Brillowski, Florian A1 - Dammers, Hannah A1 - van Dyck, Marc A1 - Kong, Iris A1 - Königs, Peter A1 - Kordtomeikel, Frauke A1 - Liehner, Gian Luca A1 - Pütz, Sebastian A1 - Rodermann, Niklas A1 - Schaar, Anne Kathrin A1 - Steuer-Dankert, Linda A1 - Vervier, Luisa A1 - Wlecke, Shari A1 - Gries, Thomas A1 - Leicht-Scholten, Carmen A1 - Nagel, Saskia K. A1 - Piller, Frank T. A1 - Schuh, Günther A1 - Ziefle, Martina A1 - Nitsch, Verena ED - Michael, Judith ED - Pfeiffer, Jérôme ED - Wortmann, Andreas T1 - Modelling Human Factors in Cyber Physical Production Systems by the Integration of Human Digital Shadows T2 - Modellierung 2022 Satellite Events N2 - The future of industrial manufacturing and production will increasingly manifest in the form of cyber-physical production systems. Here, Digital Shadows will act as mediators between the physical and digital world to model and operationalize the interactions and relationships between different entities in production systems. Until now, the associated concepts have been primarily pursued and implemented from a technocentric perspective, in which human actors play a subordinate role, if they are considered at all. This paper outlines an anthropocentric approach that explicitly considers the characteristics, behavior, and traits and states of human actors in socio-technical production systems. For this purpose, we discuss the potentials and the expected challenges and threats of creating and using Human Digital Shadows in production. KW - human digital shadow KW - cyber physical production system KW - human factors Y1 - 2022 U6 - http://dx.doi.org/10.18420/modellierung2022ws-018 SP - 147 EP - 149 PB - GI Gesellschaft für Informatik CY - Bonn ER - TY - THES A1 - Menrath, Maike T1 - Konzept zur Lebensmittelnahversorgung außerhalb urbaner Strukturen : Verkaufspunkt für ländliche Gebiete N2 - Ländliche Regionen sind häufig infrastrukturell schlechter versorgt als urbane Räume, was sich insbesondere auf die Versorgung mit Gütern des täglichen Bedarfs niederschlägt. Menschen außerhalb städtischer Ballungsgebiete müssen deswegen oft lange Anfahrten zu Supermärkten in Kauf nehmen. Hierbei sind sie vor allem auf das Auto angewiesen. In dieser Arbeit ist „ILSE“ entstanden. Eine Verkaufsbox, die Menschen in ländlichen Raumstrukturen besser mit Waren versorgt, indem sie dort aufgestellt wird, wo sie auch wirklich benötigt wird. Dank digitaler Verkaufstechnologien ist „ILSE“ durchgehend geöffnet, auch, wenn andere Supermärkte längst geschlossen sind. Mit einer App wird der Kundschaft der Zugang zum Verkaufsraum und das Bezahlen ermöglicht. KW - Einkauf KW - Lebensmittel KW - ländlich KW - digital KW - regional Y1 - 2022 N1 - Für diese Arbeit steht kein Volltext zur Verfügung. PB - FH Aachen CY - Aachen ER - TY - THES A1 - Meesters, Elena T1 - Gestaltung eines häuslichen Telemonitoringsystems zur Prognose kardialer Dekompensation N2 - Herzinsuffizienz ist eine der häufigsten Herzerkrankungen in Deutschland. Sie ist fortschreitend und nicht heilbar. Der Krankheitsverlauf ist geprägt von plötzlichen, z.T. lebensbedrohlichen Verschlechterungen und Krankenhauseinweisungen, nach denen die Leistung des Herzen vermindert bleibt. Diese Dekompensationen lassen sich bisher im heimischen Umfeld nicht durch Messwerte vorhersehen. Dieses Gerät bestimmt die Flüssigkeitsansammlungen in der Lunge, die ein mittelfristiges Symptom einer Dekompensation sind. Außerdem misst es über einen Hautsensor die im Schweiß enthaltene Menge eines Proteins, das bei Überdehnung des Herzmuskels vermehrt im Blutplasma zu finden ist. So können Dekompensationen bis zu zwei Wochen vor einem akuten Ereignis detektiert und behandelt werden. Außerdem gibt es tagesformabhängige Tipps für die Alltagsgestaltung mit der Erkrankung. KW - Herzinusffizienz KW - Medizin KW - Herz KW - Gesundheit KW - Telemonitoring Y1 - 2022 N1 - Für diese Arbeit steht kein Volltext zur Verfügung. PB - FH Aachen CY - Aachen ER -