TY - JOUR A1 - Chloé, Radermacher A1 - Malyaran, Hanna A1 - Craveiro, Rogerio Bastos A1 - Peglow, Sarah A1 - Behbahani, Mehdi A1 - Pufe, Thomas A1 - Wolf, Michael A1 - Neuss, Sabine T1 - Mechanical loading on cementoblasts: a mini review JF - Osteologie N2 - Orthodontic treatments are concomitant with mechanical forces and thereby cause teeth movements. The applied forces are transmitted to the tooth root and the periodontal ligaments which is compressed on one side and tensed up on the other side. Indeed, strong forces can lead to tooth root resorption and the crown-to-tooth ratio is reduced with the potential for significant clinical impact. The cementum, which covers the tooth root, is a thin mineralized tissue of the periodontium that connects the periodontal ligament with the tooth and is build up by cementoblasts. The impact of tension and compression on these cells is investigated in several in vivo and in vitro studies demonstrating differences in protein expression and signaling pathways. In summary, osteogenic marker changes indicate that cyclic tensile forces support whereas static tension inhibits cementogenesis. Furthermore, cementogenesis experiences the same protein expression changes in static conditions as static tension, but cyclic compression leads to the exact opposite of cyclic tension. Consistent with marker expression changes, the singaling pathways of Wnt/ß-catenin and RANKL/OPG show that tissue compression leads to cementum degradation and tension forces to cementogenesis. However, the cementum, and in particular its cementoblasts, remain a research area which should be explored in more detail to understand the underlying mechanism of bone resorption and remodeling after orthodontic treatments. KW - Cementoblast KW - Compression KW - Tension KW - Mechanotransduction KW - Forces Y1 - 2022 U6 - https://doi.org/10.1055/a-1826-0777 SN - 1019-1291 VL - 31 IS - 2 SP - 111 EP - 118 PB - Thieme CY - Stuttgart ER - TY - JOUR A1 - Heuermann, Holger A1 - Emmrich, Thomas A1 - Bongartz, Simon T1 - Microwave spark plug to support ignitions with high compression ratios JF - IEEE Transactions on Plasma Science N2 - Upcoming gasoline engines should run with a larger number of fuels beginning from petrol over methanol up to gas by a wide range of compression ratios and a homogeneous charge. In this article, the microwave (MW) spark plug, based on a high-speed frequency hopping system, is introduced as a solution, which can support a nitrogen compression ratio up to 1:39 in a chamber and more. First, an overview of the high-speed frequency hopping MW ignition and operation system as well as the large number of applications are presented. Both gives an understanding of this new base technology for MW plasma generation. Focus of the theoretical part is the explanation of the internal construction of the spark plug, on the achievable of the high voltage generation as well as the high efficiency to hold the plasma. In detail, the development process starting with circuit simulations and ending with the numerical multiphysics field simulations is described. The concept is evaluated with a reference prototype covering the frequency range between 2.40 and 2.48 GHz and working over a large power range from 20 to 200 W. A larger number of different measurements starting by vector hot-S11 measurements and ending by combined working scenarios out of hot temperature, high pressure and charge motion are winding up the article. The limits for the successful pressure tests were given by the pressure chamber. Pressures ranged from 1 to 39 bar and charge motion up to 25 m/s as well as temperatures from 30◦ to 125◦. KW - Automotive application KW - ignition KW - microplasma KW - microwave (MW) plasma KW - plasma jet Y1 - 2022 U6 - https://doi.org/10.1109/TPS.2022.3183690 SN - 1939-9375 IS - Early Access SP - 1 EP - 6 PB - IEEE 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 - https://doi.org/10.1002/pssa.202100660 SN - 1862-6319 N1 - Corresponding author: Michael J. Schöning VL - 219 IS - 8 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Rossi, Leonardo A1 - Winands, Mark H. M. A1 - Butenweg, Christoph ED - Zhang, Jessica T1 - Monte Carlo Tree Search as an intelligent search tool in structural design problems JF - Engineering with Computers : An International Journal for Simulation-Based Engineering N2 - Monte Carlo Tree Search (MCTS) is a search technique that in the last decade emerged as a major breakthrough for Artificial Intelligence applications regarding board- and video-games. In 2016, AlphaGo, an MCTS-based software agent, outperformed the human world champion of the board game Go. This game was for long considered almost infeasible for machines, due to its immense search space and the need for a long-term strategy. Since this historical success, MCTS is considered as an effective new approach for many other scientific and technical problems. Interestingly, civil structural engineering, as a discipline, offers many tasks whose solution may benefit from intelligent search and in particular from adopting MCTS as a search tool. In this work, we show how MCTS can be adapted to search for suitable solutions of a structural engineering design problem. The problem consists of choosing the load-bearing elements in a reference reinforced concrete structure, so to achieve a set of specific dynamic characteristics. In the paper, we report the results obtained by applying both a plain and a hybrid version of single-agent MCTS. The hybrid approach consists of an integration of both MCTS and classic Genetic Algorithm (GA), the latter also serving as a term of comparison for the results. The study’s outcomes may open new perspectives for the adoption of MCTS as a design tool for civil engineers. KW - Monte Carlo Tree Search KW - Structural design KW - Artificial intelligence KW - Civil engineering KW - Genetic algorithm Y1 - 2022 U6 - https://doi.org/10.1007/s00366-021-01338-2 SN - 1435-5663 SN - 0177-0667 VL - 38 IS - 4 SP - 3219 EP - 3236 PB - Springer Nature CY - Cham ER - TY - JOUR A1 - Herssens, Nolan A1 - Cowburn, James A1 - Albracht, Kirsten A1 - Braunstein, Bjoern A1 - Cazzola, Dario A1 - Colyer, Steffi A1 - Minetti, Alberto E. A1 - Pavei, Gaspare A1 - Rittweger, Jörn A1 - Weber, Tobias A1 - Green, David A. ED - Cattaneo, Luigi T1 - Movement in low gravity environments (MoLo) programme – the MoLo-L.O.O.P. study protocol JF - PLOS ONE / Public Library of Science N2 - Exposure to prolonged periods in microgravity is associated with deconditioning of the musculoskeletal system due to chronic changes in mechanical stimulation. Given astronauts will operate on the Lunar surface for extended periods of time, it is critical to quantify both external (e.g., ground reaction forces) and internal (e.g., joint reaction forces) loads of relevant movements performed during Lunar missions. Such knowledge is key to predict musculoskeletal deconditioning and determine appropriate exercise countermeasures associated with extended exposure to hypogravity. Y1 - 2022 U6 - https://doi.org/10.1371/journal.pone.0278051 SN - 1932-6203 VL - 17 IS - 11 PB - Plos CY - San Francisco 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 - https://doi.org/10.1016/j.jpba.2021.114530 VL - 209 IS - Article number: 114530 PB - Elsevier 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 - https://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 - Marinkovic, Marko A1 - Butenweg, Christoph T1 - Numerical analysis of the in-plane behaviour of decoupled masonry infilled RC frames JF - Engineering Structures N2 - Damage of reinforced concrete (RC) frames with masonry infill walls has been observed after many earthquakes. Brittle behaviour of the masonry infills in combination with the ductile behaviour of the RC frames makes infill walls prone to damage during earthquakes. Interstory deformations lead to an interaction between the infill and the RC frame, which affects the structural response. The result of this interaction is significant damage to the infill wall and sometimes to the surrounding structural system too. In most design codes, infill walls are considered as non-structural elements and neglected in the design process, because taking into account the infills and considering the interaction between frame and infill in software packages can be complicated and impractical. A good way to avoid negative aspects arising from this behavior is to ensure no or low-interaction of the frame and infill wall, for instance by decoupling the infill from the frame. This paper presents the numerical study performed to investigate new connection system called INODIS (Innovative Decoupled Infill System) for decoupling infill walls from surrounding frame with the aim to postpone infill activation to high interstory drifts thus reducing infill/frame interaction and minimizing damage to both infills and frames. The experimental results are first used for calibration and validation of the numerical model, which is then employed for investigating the influence of the material parameters as well as infill’s and frame’s geometry on the in-plane behaviour of the infilled frames with the INODIS system. For all the investigated situations, simulation results show significant improvements in behaviour for decoupled infilled RC frames in comparison to the traditionally infilled frames. KW - Seismic loading KW - Earthquake KW - In-plane performance, isolation KW - Infill wall design KW - Numerical modelling Y1 - 2022 U6 - https://doi.org/10.1016/j.engstruct.2022.114959 SN - 0141-0296 VL - 272 IS - 1 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Penner, Crystal A1 - Usherovich, Samuel A1 - Niedermeier, Jana A1 - Bélanger-Champagne, Camille A1 - Trinczek, Michael A1 - Paulßen, Elisabeth A1 - Hoehr, Cornelia T1 - Organic Scintillator-Fibre Sensors for Proton Therapy Dosimetry: SCSF-3HF and EJ-260 JF - electronics N2 - In proton therapy, the dose from secondary neutrons to the patient can contribute to side effects and the creation of secondary cancer. A simple and fast detection system to distinguish between dose from protons and neutrons both in pretreatment verification as well as potentially in vivo monitoring is needed to minimize dose from secondary neutrons. Two 3 mm long, 1 mm diameter organic scintillators were tested for candidacy to be used in a proton–neutron discrimination detector. The SCSF-3HF (1500) scintillating fibre (Kuraray Co. Chiyoda-ku, Tokyo, Japan) and EJ-260 plastic scintillator (Eljen Technology, Sweetwater, TX, USA) were irradiated at the TRIUMF Neutron Facility and the Proton Therapy Research Centre. In the proton beam, we compared the raw Bragg peak and spread-out Bragg peak response to the industry standard Markus chamber detector. Both scintillator sensors exhibited quenching at high LET in the Bragg peak, presenting a peak-to-entrance ratio of 2.59 for the EJ-260 and 2.63 for the SCSF-3HF fibre, compared to 3.70 for the Markus chamber. The SCSF-3HF sensor demonstrated 1.3 times the sensitivity to protons and 3 times the sensitivity to neutrons as compared to the EJ-260 sensor. Combined with our equations relating neutron and proton contributions to dose during proton irradiations, and the application of Birks’ quenching correction, these fibres provide valid candidates for inexpensive and replicable proton-neutron discrimination detectors Y1 - 2022 U6 - https://doi.org/10.3390/electronics12010011 SN - 2079-9292 N1 - This article belongs to the Special Issue "Applications of Optical Fiber Sensors" VL - 12 IS - 1 PB - MDPI CY - Basel ER - TY - JOUR A1 - von Häfen, Hajo A1 - Krautwald, Clemens A1 - Stolle, Jacob A1 - Bung, Daniel Bernhard A1 - Goseberg, Nils T1 - Overland flow of broken solitary waves over a two-dimensional coastal plane JF - Coastal Engineering N2 - Landslides, rock falls or related subaerial and subaqueous mass slides can generate devastating impulse waves in adjacent waterbodies. Such waves can occur in lakes and fjords, or due to glacier calving in bays or at steep ocean coastlines. Infrastructure and residential houses along coastlines of those waterbodies are often situated on low elevation terrain, and are potentially at risk from inundation. Impulse waves, running up a uniform slope and generating an overland flow over an initially dry adjacent horizontal plane, represent a frequently found scenario, which needs to be better understood for disaster planning and mitigation. This study presents a novel set of large-scale flume test focusing on solitary waves propagating over a 1:14.5 slope and breaking onto a horizontal section. Examining the characteristics of overland flow, this study gives, for the first time, insight into the fundamental process of overland flow of a broken solitary wave: its shape and celerity, as well as its momentum when wave breaking has taken place beforehand. KW - Landslide tsunamis KW - Hazard assessment KW - Large scale tests KW - Overland flow KW - Solitary waves Y1 - 2022 U6 - https://doi.org/10.1016/j.coastaleng.2022.104125 SN - 1872-7379 VL - 175 IS - August PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Fiedler, Thomas M. A1 - Orzada, Stephan A1 - Flöser, Martina A1 - Rietsch, Stefan H. G. A1 - Schmidt, Simon A1 - Stelter, Jonathan K. A1 - Wittrich, Marco A1 - Quick, Harald H. A1 - Bitz, Andreas A1 - Ladd, Mark E. T1 - Performance and safety assessment of an integrated transmit array for body imaging at 7 T under consideration of specificabsorption rate, tissue temperature, and thermal dose JF - NMR in Biomedicine N2 - In this study, the performance of an integrated body-imaging array for 7 T with 32 radiofrequency (RF) channels under consideration of local specific absorption rate (SAR), tissue temperature, and thermal dose limits was evaluated and the imaging performance was compared with a clinical 3 T body coil. Thirty-two transmit elements were placed in three rings between the bore liner and RF shield of the gradient coil. Slice-selective RF pulse optimizations for B1 shimming and spokes were performed for differently oriented slices in the body under consideration of realistic constraints for power and local SAR. To improve the B1+ homogeneity, safety assessments based on temperature and thermal dose were performed to possibly allow for higher input power for the pulse optimization than permissible with SAR limits. The results showed that using two spokes, the 7 T array outperformed the 3 T birdcage in all the considered regions of interest. However, a significantly higher SAR or lower duty cycle at 7 T is necessary in some cases to achieve similar B1+ homogeneity as at 3 T. The homogeneity in up to 50 cm-long coronal slices can particularly benefit from the high RF shim performance provided by the 32 RF channels. The thermal dose approach increases the allowable input power and the corresponding local SAR, in one example up to 100 W/kg, without limiting the exposure time necessary for an MR examination. In conclusion, the integrated antenna array at 7 T enables a clinical workflow for body imaging and comparable imaging performance to a conventional 3 T clinical body coil. KW - body imaging at 7 T MRI KW - thermal dose KW - tissue temperature KW - transmit antenna arrays Y1 - 2022 U6 - https://doi.org/10.1002/nbm.4656 SN - 0952-3480 (Print) SN - 1099-1492 (Online) VL - 35 IS - 5 SP - 1 EP - 17 PB - Wiley ER - TY - JOUR A1 - Falkenberg, Fabian A1 - Bott, Michael A1 - Bongaerts, Johannes A1 - Siegert, Petra T1 - Phylogenetic survey of the subtilase family and a data-mining-based search for new subtilisins from Bacillaceae JF - Frontiers in Microbiology N2 - The subtilase family (S8), a member of the clan SB of serine proteases are ubiquitous in all kingdoms of life and fulfil different physiological functions. Subtilases are divided in several groups and especially subtilisins are of interest as they are used in various industrial sectors. Therefore, we searched for new subtilisin sequences of the family Bacillaceae using a data mining approach. The obtained 1,400 sequences were phylogenetically classified in the context of the subtilase family. This required an updated comprehensive overview of the different groups within this family. To fill this gap, we conducted a phylogenetic survey of the S8 family with characterised holotypes derived from the MEROPS database. The analysis revealed the presence of eight previously uncharacterised groups and 13 subgroups within the S8 family. The sequences that emerged from the data mining with the set filter parameters were mainly assigned to the subtilisin subgroups of true subtilisins, high-alkaline subtilisins, and phylogenetically intermediate subtilisins and represent an excellent source for new subtilisin candidates. Y1 - 2022 U6 - https://doi.org/10.3389/fmicb.2022.1017978 SN - 1664-302X VL - 2022 IS - 13 PB - Frontiers CY - Lausanne ER - TY - JOUR A1 - Funke, Harald A1 - Esch, Thomas A1 - Roosen, Petra T1 - Powertrain Adaptions for LPG Usage in General Aviation JF - MTZ worldwide N2 - In general aviation, too, it is desirable to be able to operate existing internal combustion engines with fuels that produce less CO₂ than Avgas 100LL being widely used today It can be assumed that, in comparison, the fuels CNG, LPG or LNG, which are gaseous under normal conditions, produce significantly lower emissions. Necessary propulsion system adaptations were investigated as part of a research project at Aachen University of Applied Sciences. Y1 - 2022 U6 - https://doi.org/10.1007/s38313-021-0756-6 VL - 2022 IS - 83 SP - 58 EP - 62 PB - Springer Nature CY - Basel ER - TY - JOUR A1 - Engelmann, Ulrich M. A1 - Pourshahidi, Mohammad Ali A1 - Shalaby, Ahmed A1 - Krause, Hans-Joachim T1 - Probing particle size dependency of frequency mixing magnetic detection with dynamic relaxation simulation JF - Journal of Magnetism and Magnetic Materials N2 - Biomedical applications of magnetic nanoparticles (MNP) fundamentally rely on the particles’ magnetic relaxation as a response to an alternating magnetic field. The magnetic relaxation complexly depends on the interplay of MNP magnetic and physical properties with the applied field parameters. It is commonly accepted that particle core size is a major contributor to signal generation in all the above applications, however, most MNP samples comprise broad distribution spanning nm and more. Therefore, precise knowledge of the exact contribution of individual core sizes to signal generation is desired for optimal MNP design generally for each application. Specifically, we present a magnetic relaxation simulation-driven analysis of experimental frequency mixing magnetic detection (FMMD) for biosensing to quantify the contributions of individual core size fractions towards signal generation. Applying our method to two different experimental MNP systems, we found the most dominant contributions from approx. 20 nm sized particles in the two independent MNP systems. Additional comparison between freely suspended and immobilized MNP also reveals insight in the MNP microstructure, allowing to use FMMD for MNP characterization, as well as to further fine-tune its applicability in biosensing. Y1 - 2022 U6 - https://doi.org/10.1016/j.jmmm.2022.169965 SN - 0304-8853 VL - 563 IS - In progress, Art. No. 169965 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Coll-Perales, Baldomero A1 - Schulte-Tigges, Joschua A1 - Rondinone, Michele A1 - Gozalvez, Javier A1 - Reke, Michael A1 - Matheis, Dominik A1 - Walter, Thomas T1 - Prototyping and evaluation of infrastructure-assisted transition of control for cooperative automated vehicles JF - IEEE Transactions on Intelligent Transportation Systems N2 - Automated driving is now possible in diverse road and traffic conditions. However, there are still situations that automated vehicles cannot handle safely and efficiently. In this case, a Transition of Control (ToC) is necessary so that the driver takes control of the driving. Executing a ToC requires the driver to get full situation awareness of the driving environment. If the driver fails to get back the control in a limited time, a Minimum Risk Maneuver (MRM) is executed to bring the vehicle into a safe state (e.g., decelerating to full stop). The execution of ToCs requires some time and can cause traffic disruption and safety risks that increase if several vehicles execute ToCs/MRMs at similar times and in the same area. This study proposes to use novel C-ITS traffic management measures where the infrastructure exploits V2X communications to assist Connected and Automated Vehicles (CAVs) in the execution of ToCs. The infrastructure can suggest a spatial distribution of ToCs, and inform vehicles of the locations where they could execute a safe stop in case of MRM. This paper reports the first field operational tests that validate the feasibility and quantify the benefits of the proposed infrastructure-assisted ToC and MRM management. The paper also presents the CAV and roadside infrastructure prototypes implemented and used in the trials. The conducted field trials demonstrate that infrastructure-assisted traffic management solutions can reduce safety risks and traffic disruptions. KW - Automated driving KW - automated vehicles KW - connected automated vehicles KW - CAV KW - experimental evaluation Y1 - 2021 U6 - https://doi.org/10.1109/TITS.2021.3061085 SN - 1524-9050 (Print) SN - 1558-0016 (Online) VL - 23 IS - 7 SP - 6720 EP - 6736 PB - IEEE ER - 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 - https://doi.org/10.1016/j.comptc.2022.113891 VL - 1217 IS - Article number: 113891 PB - Elsevier CY - New York, NY ER - TY - JOUR A1 - Röthenbacher, Annika A1 - Cesari, Matteo A1 - Doppler, Christopher E.J. A1 - Okkels, Niels A1 - Willemsen, Nele A1 - Sembowski, Nora A1 - Seger, Aline A1 - Lindner, Marie A1 - Brune, Corinna A1 - Stefani, Ambra A1 - Högl, Birgit A1 - Bialonski, Stephan A1 - Borghammer, Per A1 - Fink, Gereon R. A1 - Schober, Martin A1 - Sommerauer, Michael T1 - RBDtector: an open-source software to detect REM sleep without atonia according to visual scoring criteria JF - Scientific Reports N2 - REM sleep without atonia (RSWA) is a key feature for the diagnosis of rapid eye movement (REM) sleep behaviour disorder (RBD). We introduce RBDtector, a novel open-source software to score RSWA according to established SINBAR visual scoring criteria. We assessed muscle activity of the mentalis, flexor digitorum superficialis (FDS), and anterior tibialis (AT) muscles. RSWA was scored manually as tonic, phasic, and any activity by human scorers as well as using RBDtector in 20 subjects. Subsequently, 174 subjects (72 without RBD and 102 with RBD) were analysed with RBDtector to show the algorithm’s applicability. We additionally compared RBDtector estimates to a previously published dataset. RBDtector showed robust conformity with human scorings. The highest congruency was achieved for phasic and any activity of the FDS. Combining mentalis any and FDS any, RBDtector identified RBD subjects with 100% specificity and 96% sensitivity applying a cut-off of 20.6%. Comparable performance was obtained without manual artefact removal. RBD subjects also showed muscle bouts of higher amplitude and longer duration. RBDtector provides estimates of tonic, phasic, and any activity comparable to human scorings. RBDtector, which is freely available, can help identify RBD subjects and provides reliable RSWA metrics. Y1 - 2022 U6 - https://doi.org/10.1038/s41598-022-25163-9 SN - 2045-2322 VL - 12 IS - Article number: 20886 SP - 1 EP - 14 PB - Springer Nature CY - London ER - TY - JOUR A1 - Pourshahidi, Ali Mohammad A1 - Engelmann, Ulrich M. A1 - Offenhäusser, Andreas A1 - Krause, Hans-Joachim T1 - Resolving ambiguities in core size determination of magnetic nanoparticles from magnetic frequency mixing data JF - Journal of Magnetism and Magnetic Materials N2 - Frequency mixing magnetic detection (FMMD) has been widely utilized as a measurement technique in magnetic immunoassays. It can also be used for the characterization and distinction (also known as “colourization”) of different types of magnetic nanoparticles (MNPs) based on their core sizes. In a previous work, it was shown that the large particles contribute most of the FMMD signal. This leads to ambiguities in core size determination from fitting since the contribution of the small-sized particles is almost undetectable among the strong responses from the large ones. In this work, we report on how this ambiguity can be overcome by modelling the signal intensity using the Langevin model in thermodynamic equilibrium including a lognormal core size distribution fL(dc,d0,σ) fitted to experimentally measured FMMD data of immobilized MNPs. For each given median diameter d0, an ambiguous amount of best-fitting pairs of parameters distribution width σ and number of particles Np with R2 > 0.99 are extracted. By determining the samples’ total iron mass, mFe, with inductively coupled plasma optical emission spectrometry (ICP-OES), we are then able to identify the one specific best-fitting pair (σ, Np) one uniquely. With this additional externally measured parameter, we resolved the ambiguity in core size distribution and determined the parameters (d0, σ, Np) directly from FMMD measurements, allowing precise MNPs sample characterization. Y1 - 2022 U6 - https://doi.org/10.1016/j.jmmm.2022.169969 SN - 0304-8853 VL - 563 IS - In progress, Art. No. 169969 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schneider, Jules A1 - Schwabedal, Justus T. C. A1 - Bialonski, Stephan T1 - Schlafspindeln – Funktion, Detektion und Nutzung als Biomarker für die psychiatrische Diagnostik JF - Der Nervenarzt N2 - Hintergrund: Die Schlafspindel ist ein Graphoelement des Elektroenzephalogramms (EEG), das im Leicht- und Tiefschlaf beobachtet werden kann. Veränderungen der Spindelaktivität wurden für verschiedene psychiatrische Erkrankungen beschrieben. Schlafspindeln zeigen aufgrund ihrer relativ konstanten Eigenschaften Potenzial als Biomarker in der psychiatrischen Diagnostik. Methode: Dieser Beitrag liefert einen Überblick über den Stand der Wissenschaft zu Eigenschaften und Funktionen der Schlafspindeln sowie über beschriebene Veränderungen der Spindelaktivität bei psychiatrischen Erkrankungen. Verschiedene methodische Ansätze und Ausblicke zur Spindeldetektion werden hinsichtlich deren Anwendungspotenzial in der psychiatrischen Diagnostik erläutert. Ergebnisse und Schlussfolgerung: Während Veränderungen der Spindelaktivität bei psychiatrischen Erkrankungen beschrieben wurden, ist deren exaktes Potenzial für die psychiatrische Diagnostik noch nicht ausreichend erforscht. Diesbezüglicher Erkenntnisgewinn wird in der Forschung gegenwärtig durch ressourcenintensive und fehleranfällige Methoden zur manuellen oder automatisierten Spindeldetektion ausgebremst. Neuere Detektionsansätze, die auf Deep-Learning-Verfahren basieren, könnten die Schwierigkeiten bisheriger Detektionsmethoden überwinden und damit neue Möglichkeiten für die praktisch KW - Schlafspindeldetektion KW - Psychiatrische Biomarker KW - · Psychiatrische Erkrankungen/Diagnostik KW - Elektroenzephalographie KW - Deep Learning Y1 - 2022 U6 - https://doi.org/10.1007/s00115-022-01340-z SN - 1433-0407 SP - 1 EP - 8 PB - Springer CY - Berlin, Heidelberg ER - TY - JOUR A1 - Eggert, Mathias A1 - Kreuzer, Vincent T1 - Sprachsteuerung im Gesundheitswesen – Anforderungen und Auswahl geeigneter Anbieter T1 - Voice control in healthcare—requirements and provider selection JF - HMD Praxis der Wirtschaftsinformatik N2 - Das Gesundheitswesen ist konfrontiert mit steigenden Kosten und einer immer schwieriger werdenden Personalsituation. Zeitgleich versprechen moderne Sprachsteuerungssysteme Prozesse in Arztpraxen und Krankenhäusern zu verschlanken und Vorgänge zu beschleunigen. Dennoch wird derzeit der Einsatz von Sprachsteuerungssystemen in Arztpraxen oder Krankenhäusern nur selten beobachtet, was auch an den besonders strengen Datenschutzauflagen der Datenschutzgrundverordnung (DSGVO) liegt. Darüber hinaus wirft die niedrige Nutzungsrate die Frage nach den konkreten Anforderungen und ihrer Umsetzbarkeit auf, was durch den vorliegenden Beitrag adressiert wird, indem die Ergebnisse von Interviews mit acht medizinischen Fachexperten ausgewertet werden. Ergänzend wird die technische Umsetzbarkeit einzelner Anforderungen mit unterschiedlichen Cloud-Anbietern erprobt. KW - Gesundheitswesen KW - Sprachsteuerung KW - Sprachassistent KW - Anforderungen KW - Umsetzbarkeit Y1 - 2022 SN - 2198-2775 U6 - https://doi.org/10.1365/s40702-022-00919-z SN - 1436-3011 N1 - Corresponding author: Mathias Eggert VL - 59 SP - 1640 EP - 1652 PB - Springer Vieweg CY - Wiesbaden ER -