TY - JOUR A1 - Huck, Christina A1 - Poghossian, Arshak A1 - Bäcker, Matthias A1 - Reisert, Steffen A1 - Schubert, J. A1 - Zander, W. A1 - Begoyan, V. K. A1 - Buniatyan, V. V. A1 - Schöning, Michael Josef T1 - Chemical sensors based on a high-k perovskite oxide of barium strontium titanate JF - Procedia Engineering N2 - High-k perovskite oxide of barium strontium titanate (BST) represents a very attractive multi-functional transducer material for the development of (bio-)chemical sensors for liquids. In this work, BST films have been applied as a sensitive transducer material for a label-free detection of adsorbed charged macromolecules (positively charged polyelectrolytes) and concentration of hydrogen peroxide vapor as well as protection insulator layer for a contactless electrolyte-conductivity sensor. The experimental results of characterization of individual sensors are presented. Special emphasis is devoted towards the development of a capacitively-coupled contactless electrolyte-conductivity sensor. KW - barium strontium titanate KW - high-k material KW - contactless conductivity sensor KW - multi-functional material KW - hydrogen peroxide Y1 - 2014 U6 - https://doi.org/10.1016/j.proeng.2014.11.258 SN - 1877-7058 N1 - EUROSENSORS 2014 ; European Conference on Solid-State Transducers <28, 2014> VL - 87 SP - 28 EP - 31 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Ball, Christopher Stephen A1 - Vögele, Stefan A1 - Grajewski, Matthias A1 - Kuckshinrichs, Wilhelm T1 - E-mobility from a multi-actor point of view: Uncertainties and their impacts JF - Technological Forecasting and Social Change Y1 - 2021 SN - 0040-1625 U6 - https://doi.org/10.1016/j.techfore.2021.120925 VL - 170 IS - Art. 120925 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Bronder, Thomas A1 - Poghossian, Arshak A1 - Jessing, Max P. A1 - Keusgen, Michael A1 - Schöning, Michael Josef T1 - Surface regeneration and reusability of label-free DNA biosensors based on weak polyelectrolyte-modified capacitive field-effect structures JF - Biosensors and Bioelectronics Y1 - 2019 U6 - https://doi.org/10.1016/j.bios.2018.11.019 SN - 0956-5663 VL - 126 SP - 510 EP - 517 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Poghossian, Arshak A1 - Malzahn, K. A1 - Abouzar, Maryam H. A1 - Mehndiratta, P. A1 - Katz, E. A1 - Schöning, Michael Josef T1 - Integration of biomolecular logic gates with field-effect transducers JF - Electrochimica Acta. 56 (2011), H. 26 Y1 - 2011 SN - 0013-4686 SP - 9661 EP - 9665 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schusser, Sebastian A1 - Poghossian, Arshak A1 - Bäcker, Matthias A1 - Krischer, M. A1 - Leinhos, Marcel A1 - Wagner, P. A1 - Schöning, Michael Josef T1 - An application of field-effect sensors for in-situ monitoring of degradation of biopolymers JF - Sensors and actuators B: Chemical N2 - The characterization of the degradation kinetics of biodegradable polymers is mandatory with regard to their proper application. In the present work, polymer-modified electrolyte–insulator–semiconductor (PMEIS) field-effect sensors have been applied for in-situ monitoring of the pH-dependent degradation kinetics of the commercially available biopolymer poly(d,l-lactic acid) (PDLLA) in buffer solutions from pH 3 to pH 13. PDLLA films of 500 nm thickness were deposited on the surface of an Al–p-Si–SiO2–Ta2O5 structure from a polymer solution by means of spin-coating method. The PMEIS sensor is, in principle, capable to detect any changes in bulk, surface and interface properties of the polymer induced by degradation processes. A faster degradation has been observed for PDLLA films exposed to alkaline solutions (pH 9, pH 11 and pH 13). Y1 - 2015 U6 - https://doi.org/10.1016/j.snb.2014.10.058 SN - 1873-3077 (E-Journal); 0925-4005 (Print) VL - 207, Part B SP - 954 EP - 959 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Tippkötter, Nils A1 - Duwe, Anna-Maria A1 - Wiesen, Sebastian A1 - Sieker, Tim A1 - Ulber, Roland T1 - Enzymatic hydrolysis of beech wood lignocellulose at high solid contents and its utilization as substrate for the production of biobutanol and dicarboxylic acids JF - Bioresource Technology N2 - The development of a cost-effective hydrolysis for crude cellulose is an essential part of biorefinery developments. To establish such high solid hydrolysis, a new solid state reactor with static mixing is used. However, concentrations >10% (w/w) cause a rate and yield reduction of enzymatic hydrolysis. By optimizing the synergetic activity of cellulolytic enzymes at solid concentrations of 9%, 17% and 23% (w/w) of crude Organosolv cellulose, glucose concentrations of 57, 113 and 152 g L⁻¹ are reached. However, the glucose yield decreases from 0.81 to 0.72gg⁻¹ at 17% (w/w). Optimal conditions for hydrolysis scale-up under minimal enzyme addition are identified. As result, at 23% (w/w) crude cellulose the glucose yield increases from 0.29 to 0.49gg⁻¹. As proof of its applicability, biobutanol, succinic and itaconic acid are produced with the crude hydrolysate. The potential of the substrate is proven e.g. by a high butanol yield of 0.33gg⁻¹. Y1 - 2014 U6 - https://doi.org/10.1016/j.biortech.2014.06.052 VL - 167 SP - 447 EP - 455 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schusser, Sebastian A1 - Poghossian, Arshak A1 - Bäcker, Matthias A1 - Leinhos, Marcel A1 - Wagner, Patrick A1 - Schöning, Michael Josef T1 - Characterization of biodegradable polymers with capacitive field-effect sensors JF - Sensors and actuators B: Chemical N2 - In vitro studies of the degradation kinetic of biopolymers are essential for the design and optimization of implantable biomedical devices. In the presented work, a field-effect capacitive sensor has been applied for the real-time and in situ monitoring of degradation processes of biopolymers for the first time. The polymer-covered field-effect sensor is, in principle, capable to detect any changes in bulk, surface and interface properties of the polymer induced by degradation processes. The feasibility of this approach has been experimentally proven by using the commercially available biomedical polymer poly(D,L-lactic acid) (PDLLA) as a model system. PDLLA films of different thicknesses were deposited on the Ta₂O₅-gate surface of the field-effect structure from a polymer solution by means of spin-coating method. The polymer-modified field-effect sensors have been characterized by means of capacitance–voltage and impedance-spectroscopy method. The degradation of the PDLLA was accelerated by changing the degradation medium from neutral (pH 7.2) to alkaline (pH 9) condition, resulting in drastic changes in the capacitance and impedance spectra of the polymer-modified field-effect sensor. KW - Impedance spectroscopy KW - C–V method KW - Real-time monitoring KW - Poly(d,l-lacticacid) KW - (Bio)degradation KW - Field-effect sensor Y1 - 2012 U6 - https://doi.org/10.1016/j.snb.2012.07.099 SN - 0925-4005 N1 - Part of special issue "Selected Papers from the 14th International Meeting on Chemical Sensors" VL - 187 SP - 2 EP - 7 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schusser, Sebastian A1 - Krischer, M. A1 - Molin, D. G. M. A1 - Akker, N. M. S. van den A1 - Bäcker, Matthias A1 - Poghossian, Arshak A1 - Schöning, Michael Josef T1 - Sensor System for in-situ and Real-time Monitoring of Polymer (bio) degradation JF - Procedia Engineering N2 - A sensor system for investigating (bio)degradationprocesses of polymers is presented. The system utilizes semiconductor field-effect sensors and is capable of monitoring the degradation process in-situ and in real-time. The degradation of the polymer poly(d,l-lactic acid) is exemplarily monitored in solutions with different pH value, pH-buffer solution containing the model enzyme lipase from Rhizomucormiehei and cell-culture medium containing supernatants from stimulated and non-stimulated THP-1-derived macrophages mimicking activation of the immune system. Y1 - 2015 U6 - https://doi.org/10.1016/j.proeng.2015.08.815 SN - 1877-7058 N1 - Eurosensors 2015 VL - 120 SP - 948 EP - 951 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Jayaraman, Chandrasekaran A1 - Mummidisetty, Chaitanya Krishna A1 - Loesch, Alexandra A1 - Kaur, Sandi A1 - Hoppe-Ludwig, Shenan A1 - Staat, Manfred A1 - Jayaraman, Arun T1 - Postural and metabolic benefits of using a forearm support walker in older adults with impairments JF - Archives of Physical Medicine and Rehabilitation Y1 - 2019 U6 - https://doi.org/10.1016/j.apmr.2018.10.001 SN - 0003-9993 VL - Volume 100 IS - Issue 4 SP - 638 EP - 647 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Molinnus, Denise A1 - Hardt, G. A1 - Käver, L. A1 - Willenberg, H.S. A1 - Kröger, J.-C. A1 - Poghossian, Arshak A1 - Keusgen, Michael A1 - Schöning, Michael Josef T1 - Chip-based biosensor for the detection of low adrenaline concentrations to support adrenal venous sampling JF - Sensor and Actuators B: Chemical N2 - A chip-based amperometric biosensor referring on using the bioelectrocatalytical amplification principle for the detection of low adrenaline concentrations is presented. The adrenaline biosensor has been prepared by modification of a platinum thin-film electrode with an enzyme membrane containing the pyrroloquinoline quinone-dependent glucose dehydrogenase and glutaraldehyde. Measuring conditions such as temperature, pH value, and glucose concentration have been optimized to achieve a high sensitivity and a low detection limit of about 1 nM adrenaline measured in phosphate buffer at neutral pH value. The response of the biosensor to different catecholamines has also been proven. Long-term stability of the adrenaline biosensor has been studied over 10 days. In addition, the biosensor has been successfully applied for adrenaline detection in human blood plasma for future biomedical applications. Furthermore, preliminary experiments have been carried to detect the adrenaline-concentration difference measured in peripheral blood and adrenal venous blood, representing the adrenal vein sampling procedure of a physician. Y1 - 2018 U6 - https://doi.org/10.1016/j.snb.2018.05.136 SN - 0925-4005 VL - 272 SP - 21 EP - 27 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Bäcker, Matthias A1 - Delle, L. A1 - Poghossian, Arshak A1 - Biselli, Manfred A1 - Zang, Werner A1 - Wagner, P. A1 - Schöning, Michael Josef T1 - Electrochemical sensor array for bioprocess monitoring JF - Electrochimica Acta (2011) Y1 - 2011 VL - 56 IS - 26 SP - 9673 EP - 9678 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Valero, Daniel A1 - Bung, Daniel Bernhard T1 - Sensitivity of turbulent Schmidt number and turbulence model to simulations of jets in crossflow JF - Environmental Modelling and Software N2 - Environmental discharges have been traditionally designed by means of cost-intensive and time-consuming experimental studies. Some extensively validated models based on an integral approach have been often employed for water quality problems, as recommended by USEPA (i.e.: CORMIX). In this study, FLOW-3D is employed for a full 3D RANS modelling of two turbulent jet-to-crossflow cases, including free surface jet impingement. Results are compared to both physical modelling and CORMIX to better assess model performance. Turbulence measurements have been collected for a better understanding of turbulent diffusion's parameter sensitivity. Although both studied models are generally able to reproduce jet trajectory, jet separation downstream of the impingement has been reproduced only by RANS modelling. Additionally, concentrations are better reproduced by FLOW-3D when the proper turbulent Schmidt number is used. This study provides a recommendation on the selection of the turbulence model and the turbulent Schmidt number for future outfall structures design studies. Y1 - 2016 U6 - https://doi.org/10.1016/j.envsoft.2016.04.030 SN - 1364-8152 (electronic) VL - 82 SP - 218 EP - 228 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Honarvarfard, Elham A1 - Gamella, Maria A1 - Poghossian, Arshak A1 - Schöning, Michael Josef A1 - Katz, Evgeny T1 - An enzyme-based reversible Controlled NOT (CNOT) logic gate operating on a semiconductor transducer JF - Applied Materials Today N2 - An enzyme-based biocatalytic system mimicking operation of a logically reversible Controlled NOT (CNOT) gate has been interfaced with semiconductor electronic transducers. Electrolyte–insulator–semiconductor (EIS) structures have been used to transduce chemical changes produced by the enzyme system to an electronically readable capacitive output signal using field-effect features of the EIS device. Two enzymes, urease and esterase, were immobilized on the insulating interface of EIS structure producing local pH changes performing XOR logic operation controlled by various combinations of the input signals represented by urea and ethyl butyrate. Another EIS transducer was functionalized with esterase only, thus performing Identity (ID) logic operation for the ethyl butyrate input. Both semiconductor devices assembled in parallel operated as a logically reversible CNOT gate. The present system, despite its simplicity, demonstrated for the first time logically reversible function of the enzyme system transduced electronically with the semiconductor devices. The biomolecular realization of a CNOT gate interfaced with semiconductors is promising for integration into complex biomolecular networks and future biosensor/biomedical applications. KW - Electrolyte–insulator–semiconductor KW - Capacitive field-effect KW - CNOT KW - XOR KW - Enzyme logic gate Y1 - 2017 U6 - https://doi.org/10.1016/j.apmt.2017.08.003 SN - 2352-9407 VL - 9 SP - 266 EP - 270 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gossmann, Matthias A1 - Thomas, Ulrich A1 - Horváth, András A1 - Dragicevic, Elena A1 - Stoelzle-Feix, Sonja A1 - Jung, Alexander A1 - Raman, Aravind Hariharan A1 - Staat, Manfred A1 - Linder, Peter T1 - A higher-throughput approach to investigate cardiac contractility in vitro under physiological mechanical conditions JF - Journal of Pharmacological and Toxicological Methods Y1 - 2020 U6 - https://doi.org/10.1016/j.vascn.2020.106843 VL - 105 IS - Article 106843 PB - Elsevier CY - New York, NY ER - TY - CHAP A1 - Hoffschmidt, Bernhard A1 - Alexopoulos, Spiros A1 - Rau, Christoph A1 - Sattler, Johannes Christoph A1 - Anthrakidis, Anette A1 - Teixeira Boura, Cristiano José A1 - O'Connor, P. A1 - Hilger, Patrick T1 - Concentrating solar power T2 - Comprehensive renewable energy / ed. Ali Sayigh. Vol. 3: Solar thermal systems: components and applications Y1 - 2012 SN - 978-0-08-087872-0 U6 - https://doi.org/10.1016/B978-0-08-087872-0.00319-X VL - 3 SP - 595 EP - 636 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Linder, Peter A1 - Beckler, Matthias A1 - Doerr, Leo A1 - Stoelzle-Feix, Sonja A1 - Fertig, Niels A1 - Jung, Alexander A1 - Staat, Manfred A1 - Gossmann, Matthias T1 - A new in vitro tool to investigate cardiac contractility under physiological mechanical conditions JF - Journal of Pharmacological and Toxicological Methods Y1 - 2019 U6 - https://doi.org/10.1016/j.vascn.2019.05.162 SN - 1056-8719 VL - 99 IS - Article number 106595 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Huck, Christina A1 - Jolly, Christina A1 - Wagner, Patrick A1 - Poghossian, Arshak A1 - Schöning, Michael Josef T1 - One-chip integrated dual amperometric/field-effect sensor for the detection of dissolved hydrogen JF - Procedia Engineering. 25 (2011) Y1 - 2011 SN - 1877-7058 N1 - EurosensorsXXV ; Proc. Eurosensors XXV, September 4-7, 2011, Athens, Greece SP - 1161 EP - 1164 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard JF - Talanta N2 - Quantitative nuclear magnetic resonance (qNMR) is routinely performed by the internal or external standardization. The manuscript describes a simple alternative to these common workflows by using NMR signal of another active nuclei of calibration compound. For example, for any arbitrary compound quantification by NMR can be based on the use of an indirect concentration referencing that relies on a solvent having both 1H and 2H signals. To perform high-quality quantification, the deuteration level of the utilized deuterated solvent has to be estimated. In this contribution the new method was applied to the determination of deuteration levels in different deuterated solvents (MeOD, ACN, CDCl3, acetone, benzene, DMSO-d6). Isopropanol-d6, which contains a defined number of deuterons and protons, was used for standardization. Validation characteristics (precision, accuracy, robustness) were calculated and the results showed that the method can be used in routine practice. Uncertainty budget was also evaluated. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and can be applied in different application areas (purity determination, forensics, pharmaceutical analysis, etc.). KW - qNMR KW - Deuterium NMR KW - Deuterated solvents KW - Standardization Y1 - 2021 SN - 0039-9140 U6 - https://doi.org/10.1016/j.talanta.2020.121504 VL - 222 IS - Article number: 121504 PB - Elsevier ER - TY - CHAP A1 - Paulsen, Svea A1 - Hoffstadt, Kevin A1 - Krafft, Simone A1 - Leite, A. A1 - Zang, J. A1 - Fonseca-Zang, W. A1 - Kuperjans, Isabel T1 - Continuous biogas production from sugarcane as sole substrate T2 - Energy Reports N2 - A German–Brazilian research project investigates sugarcane as an energy plant in anaerobic digestion for biogas production. The aim of the project is a continuous, efficient, and stable biogas process with sugarcane as the substrate. Tests are carried out in a fermenter with a volume of 10 l. In order to optimize the space–time load to achieve a stable process, a continuous process in laboratory scale has been devised. The daily feed in quantity and the harvest time of the substrate sugarcane has been varied. Analyses of the digester content were conducted twice per week to monitor the process: The ratio of inorganic carbon content to volatile organic acid content (VFA/TAC), the concentration of short-chain fatty acids, the organic dry matter, the pH value, and the total nitrogen, phosphate, and ammonium concentrations were monitored. In addition, the gas quality (the percentages of CO₂, CH₄, and H₂) and the quantity of the produced gas were analyzed. The investigations have exhibited feasible and economical production of biogas in a continuous process with energy cane as substrate. With a daily feeding rate of 1.68gᵥₛ/l*d the average specific gas formation rate was 0.5 m3/kgᵥₛ. The long-term study demonstrates a surprisingly fast metabolism of short-chain fatty acids. This indicates a stable and less susceptible process compared to other substrates. Y1 - 2020 U6 - https://doi.org/10.1016/j.egyr.2019.08.035 N1 - 6th International Conference on Energy and Environment Research, ICEER 2019, 22–25 July, University of Aveiro, Portugal VL - 6 IS - Supplement 1 SP - 153 EP - 158 PB - Elsevier 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 - Block, Franziska A1 - May, Alexander A1 - Wetzel, Katharina A1 - Adels, Klaudia A1 - Elbers, Gereon A1 - Schulze, Margit A1 - Monakhova, Yulia T1 - What is the best spectroscopic method for simultaneous analysis of organic acids and (poly)saccharides in biological matrices: Example of Aloe vera extracts? JF - Talanta Open N2 - Several species of (poly)saccharides and organic acids can be found often simultaneously in various biological matrices, e.g., fruits, plant materials, and biological fluids. The analysis of such matrices sometimes represents a challenging task. Using Aloe vera (A. vera) plant materials as an example, the performance of several spectro-scopic methods (80 MHz benchtop NMR, NIR, ATR-FTIR and UV–vis) for the simultaneous analysis of quality parameters of this plant material was compared. The determined parameters include (poly)saccharides such as aloverose, fructose and glucose as well as organic acids (malic, lactic, citric, isocitric, acetic, fumaric, benzoic and sorbic acids). 500 MHz NMR and high-performance liquid chromatography (HPLC) were used as the reference methods. UV–vis data can be used only for identification of added preservatives (benzoic and sorbic acids) and drying agent (maltodextrin) and semiquantitative analysis of malic acid. NIR and MIR spectroscopies combined with multivariate regression can deliver more informative overview of A. vera extracts being able to additionally quantify glucose, aloverose, citric, isocitric, malic, lactic acids and fructose. Low-field NMR measurements can be used for the quantification of aloverose, glucose, malic, lactic, acetic, and benzoic acids. The benchtop NMR method was successfully validated in terms of robustness, stability, precision, reproducibility and limit of detection (LOD) and quantification (LOQ), respectively. All spectroscopic techniques are useful for the screening of (poly)saccharides and organic acids in plant extracts and should be applied according to its availability as well as information and confidence required for the specific analytical goal. Benchtop NMR spectroscopy seems to be the most feasible solution for quality control of A. vera products. KW - Spectroscopy KW - (Poly)saccharides KW - Organic acids KW - Aloe vera KW - qNMR Y1 - 2023 U6 - https://doi.org/10.1016/j.talo.2023.100220 SN - 2666-8319 VL - 7 IS - Art. No. 100220 SP - 1 EP - 9 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Özsoylu, Dua A1 - Kizildag, Sefa A1 - Schöning, Michael Josef A1 - Wagner, Torsten T1 - Differential chemical imaging of extracellular acidification within microfluidic channels using a plasma-functionalized light-addressable potentiometric sensor (LAPS) JF - Physics in Medicine N2 - Extracellular acidification is a basic indicator for alterations in two vital metabolic pathways: glycolysis and cellular respiration. Measuring these alterations by monitoring extracellular acidification using cell-based biosensors such as LAPS plays an important role in studying these pathways whose disorders are associated with numerous diseases including cancer. However, the surface of the biosensors must be specially tailored to ensure high cell compatibility so that cells can represent more in vivo-like behavior, which is critical to gain more realistic in vitro results from the analyses, e.g., drug discovery experiments. In this work, O2 plasma patterning on the LAPS surface is studied to enhance surface features of the sensor chip, e.g., wettability and biofunctionality. The surface treated with O2 plasma for 30 s exhibits enhanced cytocompatibility for adherent CHO–K1 cells, which promotes cell spreading and proliferation. The plasma-modified LAPS chip is then integrated into a microfluidic system, which provides two identical channels to facilitate differential measurements of the extracellular acidification of CHO–K1 cells. To the best of our knowledge, it is the first time that extracellular acidification within microfluidic channels is quantitatively visualized as differential (bio-)chemical images. Y1 - 2020 U6 - https://doi.org/10.1016/j.phmed.2020.100030 SN - 2352-4510 VL - 10 IS - 100030 PB - Elsevier CY - Amsterdam 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 - CHAP A1 - Muffler, Kai A1 - Poth, Sabastian A1 - Sieker, Tim A1 - Tippkötter, Nils A1 - Ulber, Roland A1 - Sell, Dieter ED - Moo-Young, Murray T1 - Bio-feedstocks T2 - Comprehensive biotechnology : principles and practices in industry, agcriculture, medicine and the environment. Volume 2: Engineering fundamentals of biotechnology Y1 - 2011 SN - 978-0-444-53352-4 U6 - https://doi.org/10.1016/B978-0-08-088504-9.00088-X SP - 93 EP - 101 PB - Elsevier CY - Amsterdam ET - 2. edition ER - TY - JOUR A1 - Zhen, Manghao A1 - Liang, Yunpei A1 - Staat, Manfred A1 - Li, Quanqui A1 - Li, Jianbo T1 - Discontinuous fracture behaviors and constitutive model of sandstone specimens containing non-parallel prefabricated fissures under uniaxial compression JF - Theoretical and Applied Fracture Mechanics N2 - The deformation and damage laws of non-homogeneous irregular structural planes in rocks are the basis for studying the stability of rock engineering. To investigate the damage characteristics of rock containing non-parallel fissures, uniaxial compression tests and numerical simulations were conducted on sandstone specimens containing three non-parallel fissures inclined at 0°, 45° and 90° in this study. The characteristics of crack initiation and crack evolution of fissures with different inclinations were analyzed. A constitutive model for the discontinuous fractures of fissured sandstone was proposed. The results show that the fracture behaviors of fissured sandstone specimens are discontinuous. The stress–strain curves are non-smooth and can be divided into nonlinear crack closure stage, linear elastic stage, plastic stage and brittle failure stage, of which the plastic stage contains discontinuous stress drops. During the uniaxial compression test, the middle or ends of 0° fissures were the first to crack compared to 45° and 90° fissures. The end with small distance between 0° and 45° fissures cracked first, and the end with large distance cracked later. After the final failure, 0° fissures in all specimens were fractured, while 45° and 90° fissures were not necessarily fractured. Numerical simulation results show that the concentration of compressive stress at the tips of 0°, 45° and 90° fissures, as well as the concentration of tensile stress on both sides, decreased with the increase of the inclination angle. A constitutive model for the discontinuous fractures of fissured sandstone specimens was derived by combining the logistic model and damage mechanic theory. This model can well describe the discontinuous drops of stress and agrees well with the whole processes of the stress–strain curves of the fissured sandstone specimens. KW - Constitutive model KW - Damage mechanics theory KW - Discontinuous fractures KW - Uniaxial compression test KW - Non-parallel fissures Y1 - 2024 U6 - https://doi.org/10.1016/j.tafmec.2024.104373 SN - 0167-8442 VL - 131 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Dikta, Gerhard A1 - Reißel, Martin A1 - Harlaß, Carsten T1 - Semi-parametric survival function estimators deduced from an identifying Volterra type integral equation JF - Journal of multivariate analysis N2 - Based on an identifying Volterra type integral equation for randomly right censored observations from a lifetime distribution function F, we solve the corresponding estimating equation by an explicit and implicit Euler scheme. While the first approach results in some known estimators, the second one produces new semi-parametric and pre-smoothed Kaplan–Meier estimators which are real distribution functions rather than sub-distribution functions as the former ones are. This property of the new estimators is particular useful if one wants to estimate the expected lifetime restricted to the support of the observation time. Specifically, we focus on estimation under the semi-parametric random censorship model (SRCM), that is, a random censorship model where the conditional expectation of the censoring indicator given the observation belongs to a parametric family. We show that some estimated linear functionals which are based on the new semi-parametric estimator are strong consistent, asymptotically normal, and efficient under SRCM. In a small simulation study, the performance of the new estimator is illustrated under moderate sample sizes. Finally, we apply the new estimator to a well-known real dataset. KW - Volterra integral equation KW - Product-integration KW - Asymptotic efficiency KW - Semi-parametric random censorship model KW - Censored data KW - Survival analysis Y1 - 2016 U6 - https://doi.org/10.1016/j.jmva.2016.02.008 IS - 147 SP - 273 EP - 284 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Michael, Hackl A1 - Mayer, Katharina A1 - Weber, Mareike A1 - Staat, Manfred A1 - van Riet, Roger A1 - Burkhart, Klau Josef A1 - Müller, Lars Peter A1 - Wegmann, Kilian T1 - Plate osteosynthesis of proximal ulna fractures : a biomechanical micromotion analysis JF - The journal of hand surgery Y1 - 2017 U6 - https://doi.org/10.1016/j.jhsa.2017.05.014 SN - 0363-5023 VL - 42 IS - 10 SP - 834.e1 EP - 834.e7 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Rhoden, Imke A1 - Ball, Christopher Stephen A1 - Grajewski, Matthias A1 - Kuckshinrich, Wilhelm T1 - Reverse engineering of stakeholder preferences – A multi-criteria assessment of the German passenger car sector JF - Renewable and Sustainable Energy Reviews N2 - Germany is a frontrunner in setting frameworks for the transition to a low-carbon system. The mobility sector plays a significant role in this shift, affecting different people and groups on multiple levels. Without acceptance from these stakeholders, emission targets are out of reach. This research analyzes how the heterogeneous preferences of various stakeholders align with the transformation of the mobility sector, looking at the extent to which the German transformation paths are supported and where stakeholders are located. Under the research objective of comparing stakeholders' preferences to identify which car segments require additional support for a successful climate transition, a status quo of stakeholders and car performance criteria is the foundation for the analysis. Stakeholders' hidden preferences hinder the derivation of criteria weightings from stakeholders; therefore, a ranking from observed preferences is used. This study's inverse multi-criteria decision analysis means that weightings can be predicted and used together with a recalibrated performance matrix to explore future preferences toward car segments. Results show that stakeholders prefer medium-sized cars, with the trend pointing towards the increased potential for alternative propulsion technologies and electrified vehicles. These insights can guide the improved targeting of policy supporting the energy and mobility transformation. Additionally, the method proposed in this work can fully handle subjective approaches while incorporating a priori information. A software implementation of the proposed method completes this work and is made publicly available. KW - Regionalization KW - Multi-criteria decision analysis KW - Preference assessment KW - E-Mobility KW - Mobility transition Y1 - 2023 U6 - https://doi.org/10.1016/j.rser.2023.113352 SN - 1364-0321 VL - 181 IS - July 2023 SP - Article number: 113352 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gaigall, Daniel T1 - Rothman–Woodroofe symmetry test statistic revisited JF - Computational Statistics & Data Analysis N2 - The Rothman–Woodroofe symmetry test statistic is revisited on the basis of independent but not necessarily identically distributed random variables. The distribution-freeness if the underlying distributions are all symmetric and continuous is obtained. The results are applied for testing symmetry in a meta-analysis random effects model. The consistency of the procedure is discussed in this situation as well. A comparison with an alternative proposal from the literature is conducted via simulations. Real data are analyzed to demonstrate how the new approach works in practice. Y1 - 2020 U6 - https://doi.org/10.1016/j.csda.2019.106837 SN - 0167-9473 VL - 2020 IS - 142 SP - Artikel 106837 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Frotscher, Ralf A1 - Muanghong, Danita A1 - Dursun, Gözde A1 - Goßmann, Matthias A1 - Temiz Artmann, Aysegül A1 - Staat, Manfred T1 - Sample-specific adaption of an improved electro-mechanical model of in vitro cardiac tissue JF - Journal of Biomechanics N2 - We present an electromechanically coupled computational model for the investigation of a thin cardiac tissue construct consisting of human-induced pluripotent stem cell-derived atrial, ventricular and sinoatrial cardiomyocytes. The mechanical and electrophysiological parts of the finite element model, as well as their coupling are explained in detail. The model is implemented in the open source finite element code Code_Aster and is employed for the simulation of a thin circular membrane deflected by a monolayer of autonomously beating, circular, thin cardiac tissue. Two cardio-active drugs, S-Bay K8644 and veratridine, are applied in experiments and simulations and are investigated with respect to their chronotropic effects on the tissue. These results demonstrate the potential of coupled micro- and macroscopic electromechanical models of cardiac tissue to be adapted to experimental results at the cellular level. Further model improvements are discussed taking into account experimentally measurable quantities that can easily be extracted from the obtained experimental results. The goal is to estimate the potential to adapt the presented model to sample specific cell cultures. KW - hiPS cardiomyocytes KW - Homogenization KW - Hodgkin–Huxley models KW - Frequency adaption KW - Electromechanical modeling KW - Drug simulation KW - Computational biomechanics KW - Cardiac tissue Y1 - 2016 U6 - https://doi.org/10.1016/j.jbiomech.2016.01.039 SN - 0021-9290 (Print) SN - 1873-2380 (Online) VL - 49 IS - 12 SP - 2428 EP - 2435 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Weemstra, Monique A1 - Eilmann, Britta A1 - Sass-Klaassen, Ute G. W. A1 - Sterck, Frank J. T1 - Summer droughts limit tree growth across 10 temperate species on a productive forest site JF - Forest Ecology and Management Y1 - 2013 U6 - https://doi.org/doi:10.1016/j.foreco.2013.06.007 SN - 0378-1127 (Print) SN - 1872-7042 (Online) VL - 2013 IS - 306 SP - 142 EP - 149 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Feichtinger, Linda M. A1 - Eilmann, Britta A1 - Buchmann, Nina A1 - Rigling, Andreas T1 - Growth adjustments of conifers to drought and to century-long irrigation JF - Forest Ecology and Management N2 - Our knowledge on tree responses to drought is mainly based on short-term manipulation experiments which do not capture any possible long-term adjustments in this response. Therefore, historical water channels in inner-Alpine dry valleys were used as century-long irrigation experiments to investigate adjustments in tree growth to contrasting water supply. This involved quantifying the tree-ring growth of irrigated and non-irrigated (control) Scots pine (Pinus sylvestris L.) in Valais (Switzerland), as well as European larch (Larix decidua Mill.) and black pine (Pinus nigra Arnold) in Vinschgau (Italy). Furthermore, the adjustments in radial growth of Scots pine and European larch to an abrupt stop in irrigation were analyzed. Irrigation promoted the radial growth of all tree species investigated compared to the control: (1) directly through increased soil water availability, and (2) indirectly through increased soil nutrients and humus contents in the irrigated plots. Irrigation led to a full elimination of growth responses to climate for European larch and black pine, but not for Scots pine, which might become more sensitive to drought with increasing tree size in Valais. For the control trees, the response of the latewood increment to water availability in July/August has decreased in recent decades for all species, but increased in May for Scots pine only. The sudden irrigation stop caused a drop in radial growth to a lower level for Scots pine or similar level for larch compared to the control for up to ten years. However, both tree species were then able to adjust to the new conditions and subsequently grew with similar (Scots pine) or even higher growth rates (larch) than the control. To estimate the impact of climate change on future forest development, the duration of manipulation experiments should be on longer time scales in order to capture adjustment processes and feedback mechanisms of forest ecosystems. Y1 - 2014 U6 - https://doi.org/10.1016/j.foreco.2014.08.008 SN - 1872-7042 (Online) SN - 0378-1127 (Print) VL - 2014 IS - 334 SP - 96 EP - 105 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Fredebeul-Krein, Markus A1 - Steingröver, Markus T1 - Wholesale broadband access to IPTV in an NGA environment : how to deal with it from a regulatory perspective? JF - Telecommunications Policy Y1 - 2014 U6 - https://doi.org/doi:10.1016/j.telpol.2013.04.002 SN - 0308-5961 (Print) SN - 1879-3258 (Online) VL - 38 IS - 3 SP - 264 EP - 277 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Zhang, Jin A1 - Heimbach, Tycho A1 - Scheer, Nico A1 - Barve, Avantika A1 - Li, Wenkui A1 - Lin, Wen A1 - He, Handan T1 - Clinical Exposure Boost Predictions by Integrating Cytochrome P450 3A4–Humanized Mouse Studies With PBPK Modeling JF - Journal of Pharmaceutical Sciences N2 - NVS123 is a poorly water-soluble protease 56 inhibitor in clinical development. Data from in vitro hepatocyte studies suggested that NVS123 is mainly metabolized by CYP3A4. As a consequence of limited solubility, NVS123 therapeutic plasma exposures could not be achieved even with high doses and optimized formulations. One approach to overcome NVS123 developability issues was to increase plasma exposure by coadministrating it with an inhibitor of CYP3A4 such as ritonavir. A clinical boost effect was predicted by using physiologically based pharmacokinetic (PBPK) modeling. However, initial boost predictions lacked sufficient confidence because a key parameter, fraction of drug metabolized by CYP3A4 (ƒₘCYP3A4), could not be estimated with accuracy on account of disconnects between in vitro and in vivo preclinical data. To accurately estimate ƒₘCYP3A4 in human, an in vivo boost effect study was conducted using CYP3A4-humanized mouse model which showed a 33- to 56-fold exposure boost effect. Using a top-down approach, human ƒₘCYP3A4 for NVS123 was estimated to be very high and included in the human PBPK modeling to support subsequent clinical study design. The combined use of the in vivo boost study in CYP3A4-humanized mouse model mice along with PBPK modeling accurately predicted the clinical outcome and identified a significant NVS123 exposure boost (∼42-fold increase) with ritonavir. Y1 - 2016 U6 - https://doi.org/doi.org/10.1016/j.xphs.2016.01.021 SN - 0022-3549 VL - Volume 105 IS - Issue 4 SP - 1398 EP - 1404 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Jung, Alexander A1 - Müller, Wolfram A1 - Staat, Manfred T1 - Optimization of the flight technique in ski jumping: the influence of wind Y1 - 2019 U6 - https://doi.org/10.1016/j.jbiomech.2019.03.023 IS - Early view PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Eilmann, Britta A1 - de Vries, Sven M. G. A1 - den Ouden, Jan A1 - Mohren, Godefridus M. J. A1 - Sauren, Pascal A1 - Sass-Klaassen, Ute G. W. T1 - Origin matters! Difference in drought tolerance and productivity of coastal Douglas-fir (Pseudotsuga menziesii (Mirb.)) provenances JF - Forest Ecology and Management Y1 - 2013 U6 - https://doi.org/doi:10.1016/j.foreco.2013.03.031 SN - 1872-7042 (Online) SN - 0378-1127 (Print) VL - 2013 IS - 302 SP - 133 EP - 143 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Horbach, Andreas A1 - Duong, Minh Tuan A1 - Staat, Manfred T1 - Modelling of compressible and orthotropic surgical mesh implants based on optical deformation measurement JF - Journal of the mechanical behavior of biomedical materials Y1 - 2017 U6 - https://doi.org/10.1016/j.jmbbm.2017.06.012 SN - 1751-6161 VL - 74 SP - 400 EP - 410 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Grajewski, Matthias A1 - Köster, Michael A1 - Turek, Stefam T1 - Numerical analysis and implementational aspects of a new multilevel grid deformation method JF - Applied Numerical Mathematics N2 - Recently, we introduced and mathematically analysed a new method for grid deformation (Grajewski et al., 2009) [15] we call basic deformation method (BDM) here. It generalises the method proposed by Liao et al. (Bochev et al., 1996; Cai et al., 2004; Liao and Anderson, 1992) [4], [6], [20]. In this article, we employ the BDM as core of a new multilevel deformation method (MDM) which leads to vast improvements regarding robustness, accuracy and speed. We achieve this by splitting up the deformation process in a sequence of easier subproblems and by exploiting grid hierarchy. Being of optimal asymptotic complexity, we experience speed-ups up to a factor of 15 in our test cases compared to the BDM. This gives our MDM the potential for tackling large grids and time-dependent problems, where possibly the grid must be dynamically deformed once per time step according to the user's needs. Moreover, we elaborate on implementational aspects, in particular efficient grid searching, which is a key ingredient of the BDM. Y1 - 2010 U6 - https://doi.org/10.1016/j.apnum.2010.03.017 SN - 0168-9274 VL - 60 IS - 8 SP - 767 EP - 781 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Staat, Manfred A1 - Vu, Duc Khoi T1 - Limit analysis of flaws in pressurized pipes and cylindrical vessels Part II: Circumferential defects JF - Engineering Fracture Mechanics ; 97(2013), H. 1 N2 - Upper and lower bound theorems of limit analyses have been presented in part I of the paper. Part II starts with the finite element discretization of these theorems and demonstrates how both can be combined in a primal–dual optimization problem. This recently proposed numerical method is used to guide the development of a new class of closed-form limit loads for circumferential defects, which show that only large defects contribute to plastic collapse with a rapid loss of strength with increasing crack sizes. The formulae are compared with primal–dual FEM limit analyses and with burst tests. Even closer predictions are obtained with iterative limit load solutions for the von Mises yield function and for the Tresca yield function. Pressure loading of the faces of interior cracks in thick pipes reduces the collapse load of circumferential defects more than for axial flaws. Axial defects have been treated in part I of the paper. Y1 - 2012 U6 - https://doi.org/10.1016/j.engfracmech.2012.05.017 SN - 0013-7944 VL - 97 SP - 314 EP - 333 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Mues genannt Koers, Lucas A1 - Prevost, David A1 - Paulßen, Elisabeth A1 - Hoehr, Cornelia T1 - Density reduction effects on the production of [11C]CO2 in Nb-body targets on a medical cyclotron N2 - Medical isotope production of 11C is commonly performed in gaseous targets. The power deposition of the proton beam during the irradiation decreases the target density due to thermodynamic mixing and can cause an increase of penetration depth and divergence of the proton beam. In order to investigate the difference how the target-body length influences the operation conditions and the production yield, a 12 cm and a 22 cm Nb-target body containing N2/O2 gas were irradiated using a 13 MeV proton cyclotron. It was found that the density reduction has a large influence on the pressure rise during irradiation and the achievable radioactive yield. The saturation activity of [11C]CO2 for the long target (0.083 Ci/μA) is about 10% higher than in the short target geometry (0.075 Ci/μA). Y1 - 2023 U6 - https://doi.org/10.1016/j.apradiso.2023.110911 VL - 199 IS - Art. 110911 PB - Elsevier CY - Amsterdam 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 - 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 - Achtsnicht, Stefan A1 - Schönenborn, Kristina A1 - Offenhäusser, Andreas A1 - Krause, Hans-Joachim T1 - Measurement of the magnetophoretic velocity of different superparamagnetic beads JF - Journal of Magnetism and Magnetic Materials N2 - The movement of magnetic beads due to a magnetic field gradient is of great interest in different application fields. In this report we present a technique based on a magnetic tweezers setup to measure the velocity factor of magnetically actuated individual superparamagnetic beads in a fluidic environment. Several beads can be tracked simultaneously in order to gain and improve statistics. Furthermore we show our results for different beads with hydrodynamic diameters between 200 and 1000 nm from diverse manufacturers. These measurement data can, for example, be used to determine design parameters for a magnetic separation system, like maximum flow rate and minimum separation time, or to select suitable beads for fixed experimental requirements. KW - magnetophoretic velocity KW - superparamagnetic bead KW - magnetic tweezers KW - magnetic separation KW - magnetic actuation Y1 - 2019 U6 - https://doi.org/10.1016/j.jmmm.2018.10.066 SN - 0304-8853 VL - 477 IS - 1 SP - 244 EP - 248 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Adels, Klaudia A1 - Monakhova, Yulia T1 - Low-field NMR spectroscopic study of e-cigarettes: Is determination of only nicotine and organic carrier solvents possible? JF - Microchemical Journal N2 - Electronic cigarettes (e-cigarettes) have become popular worldwide with the market growing exponentially in some countries. The absence of product standards and safety regulations requires urgent development of analytical methodologies for the holistic control of the growing diversity of such products. An approach based on low-field nuclear magnetic resonance (LF-NMR) at 80 MHz is presented for the simultaneous determination of key parameters: carrier solvents (vegetable glycerine (VG), propylene glycol (PG) and water), total nicotine as well as free-base nicotine fraction. Moreover, qualitative and quantitative determination of fourteen weak organic acids deliberately added to enhance sensory characteristics of e-cigarettes was possible. In most cases these parameters can be rapidly and conveniently determined without using any sample manipulation such as dilution, extraction or derivatization steps. The method was applied for 37 authentic e-cigarettes samples. In particular, eight different organic acids with the content up to 56 mg/mL were detected. Due to its simplicity, the method can be used in routine regulatory control as well as to study release behaviour of nicotine and other e-cigarettes constituents in different products. KW - Electronic cigarettes KW - Low field NMR KW - Carrier solvents KW - Free-base nicotine KW - Weak organic acids Y1 - 2024 U6 - https://doi.org/10.1016/j.microc.2024.110859 SN - 1095-9149 N1 - Corresponding author: Yulia Monakhova VL - 203 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Burger, René A1 - Lindner, Simon A1 - Rumpf, Jessica A1 - Do, Xuan Tung A1 - Diehl, Bernd W.K. A1 - Rehahn, Matthias A1 - Monakhova, Yulia A1 - Schulze, Margit T1 - Benchtop versus high field NMR: Comparable performance found for the molecular weight determination of lignin JF - Journal of Pharmaceutical and Biomedical Analysis N2 - Lignin is a promising renewable biopolymer being investigated worldwide as an environmentally benign substitute of fossil-based aromatic compounds, e.g. for the use as an excipient with antioxidant and antimicrobial properties in drug delivery or even as active compound. For its successful implementation into process streams, a quick, easy, and reliable method is needed for its molecular weight determination. Here we present a method using 1H spectra of benchtop as well as conventional NMR systems in combination with multivariate data analysis, to determine lignin’s molecular weight (Mw and Mn) and polydispersity index (PDI). A set of 36 organosolv lignin samples (from Miscanthus x giganteus, Paulownia tomentosa and Silphium perfoliatum) was used for the calibration and cross validation, and 17 samples were used as external validation set. Validation errors between 5.6% and 12.9% were achieved for all parameters on all NMR devices (43, 60, 500 and 600 MHz). Surprisingly, no significant difference in the performance of the benchtop and high-field devices was found. This facilitates the application of this method for determining lignin’s molecular weight in an industrial environment because of the low maintenance expenditure, small footprint, ruggedness, and low cost of permanent magnet benchtop NMR systems. KW - NMR KW - PLS-regression KW - Molecular weight determination KW - Chemometrics KW - Biomass Y1 - 2022 SN - 0731-7085 U6 - https://doi.org/10.1016/j.jpba.2022.114649 VL - 212 IS - Article number: 114649 PB - Elsevier CY - New York, NY 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 - Burmistrova, Natalia A. A1 - Soboleva, Polina M. A1 - Monakhova, Yulia T1 - Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication? JF - Journal of Pharmaceutical and Biomedical Analysis N2 - The investigation of the possibility to determine various characteristics of powder heparin (n = 115) was carried out with infrared spectroscopy. The evaluation of heparin samples included several parameters such as purity grade, distributing company, animal source as well as heparin species (i.e. Na-heparin, Ca-heparin, and heparinoids). Multivariate analysis using principal component analysis (PCA), soft independent modelling of class analogy (SIMCA), and partial least squares – discriminant analysis (PLS-DA) were applied for the modelling of spectral data. Different pre-processing methods were applied to IR spectral data; multiplicative scatter correction (MSC) was chosen as the most relevant. Obtained results were confirmed by nuclear magnetic resonance (NMR) spectroscopy. Good predictive ability of this approach demonstrates the potential of IR spectroscopy and chemometrics for screening of heparin quality. This approach, however, is designed as a screening tool and is not considered as a replacement for either of the methods required by USP and FDA. KW - IR spectroscopy KW - Heparin KW - Authenticity KW - Principal component analysis KW - Soft independent modeling of class analogy Y1 - 2021 SN - 0731-7085 U6 - https://doi.org/10.1016/j.jpba.2020.113811 VL - 194 IS - Article number: 113811 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schopen, Oliver A1 - Shah, Neel A1 - Esch, Thomas A1 - Shabani, Bahman T1 - Critical quantitative evaluation of integrated health management methods for fuel cell applications JF - International Journal of Hydrogen Energy N2 - Online fault diagnostics is a crucial consideration for fuel cell systems, particularly in mobile applications, to limit downtime and degradation, and to increase lifetime. Guided by a critical literature review, in this paper an overview of Health management systems classified in a scheme is presented, introducing commonly utilised methods to diagnose FCs in various applications. In this novel scheme, various Health management system methods are summarised and structured to provide an overview of existing systems including their associated tools. These systems are classified into four categories mainly focused on model-based and non-model-based systems. The individual methods are critically discussed when used individually or combined aimed at further understanding their functionality and suitability in different applications. Additionally, a tool is introduced to evaluate methods from each category based on the scheme presented. This tool applies the technique of matrix evaluation utilising several key parameters to identify the most appropriate methods for a given application. Based on this evaluation, the most suitable methods for each specific application are combined to build an integrated Health management system. KW - Fuel cell KW - Health management system KW - Online diagnostic KW - Fault detection KW - Non-model-based Evaluation Y1 - 2024 U6 - https://doi.org/10.1016/j.ijhydene.2024.05.156 SN - 0360-3199 VL - 70 SP - 370 EP - 388 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Haeger, Gerrit A1 - Bongaerts, Johannes A1 - Siegert, Petra T1 - A convenient ninhydrin assay in 96-well format for amino acid-releasing enzymes using an air-stable reagent JF - Analytical Biochemistry N2 - An improved and convenient ninhydrin assay for aminoacylase activity measurements was developed using the commercial EZ Nin™ reagent. Alternative reagents from literature were also evaluated and compared. The addition of DMSO to the reagent enhanced the solubility of Ruhemann's purple (RP). Furthermore, we found that the use of a basic, aqueous buffer enhances stability of RP. An acidic protocol for the quantification of lysine was developed by addition of glacial acetic acid. The assay allows for parallel processing in a 96-well format with measurements microtiter plates. Y1 - 2022 U6 - https://doi.org/10.1016/j.ab.2022.114819 SN - 1096-0309 IS - 624 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Grande, Marion A1 - Meffert, Elisabeth A1 - Schoenberger, Eva A1 - Jung, Stefanie A1 - Frauenrath, Tobias A1 - Huber, Walter A1 - Hussmann, Katja A1 - Moormann, Mareike A1 - Heim, Stefan T1 - From a concept to a word in a syntactically complete sentence: An fMRI study on spontaneous language production in an overt picture description task JF - NeuroImage N2 - Spontaneous language has rarely been subjected to neuroimaging studies. This study therefore introduces a newly developed method for the analysis of linguistic phenomena observed in continuous language production during fMRI. Most neuroimaging studies investigating language have so far focussed on single word or — to a smaller extent — sentence processing, mostly due to methodological considerations. Natural language production, however, is far more than the mere combination of words to larger units. Therefore, the present study aimed at relating brain activation to linguistic phenomena like word-finding difficulties or syntactic completeness in a continuous language fMRI paradigm. A picture description task with special constraints was used to provoke hesitation phenomena and speech errors. The transcribed speech sample was segmented into events of one second and each event was assigned to one category of a complex schema especially developed for this purpose. The main results were: conceptual planning engages bilateral activation of the precuneus. Successful lexical retrieval is accompanied – particularly in comparison to unsolved word-finding difficulties – by the left middle and superior temporal gyrus. Syntactic completeness is reflected in activation of the left inferior frontal gyrus (IFG) (area 44). In sum, the method has proven to be useful for investigating the neural correlates of lexical and syntactic phenomena in an overt picture description task. This opens up new prospects for the analysis of spontaneous language production during fMRI. Y1 - 2012 U6 - https://doi.org/10.1016/j.neuroimage.2012.03.087 SN - 1522-2586 VL - 61 IS - 3 SP - 702 EP - 714 PB - Elsevier CY - Amsterdam ER -