@article{HuckPoghossianBaeckeretal.2014, author = {Huck, Christina and Poghossian, Arshak and B{\"a}cker, Matthias and Reisert, Steffen and Schubert, J. and Zander, W. and Begoyan, V. K. and Buniatyan, V. V. and Sch{\"o}ning, Michael Josef}, title = {Chemical sensors based on a high-k perovskite oxide of barium strontium titanate}, series = {Procedia Engineering}, volume = {87}, journal = {Procedia Engineering}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1877-7058}, doi = {10.1016/j.proeng.2014.11.258}, pages = {28 -- 31}, year = {2014}, abstract = {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.}, language = {en} } @article{BallVoegeleGrajewskietal.2021, author = {Ball, Christopher Stephen and V{\"o}gele, Stefan and Grajewski, Matthias and Kuckshinrichs, Wilhelm}, title = {E-mobility from a multi-actor point of view: Uncertainties and their impacts}, series = {Technological Forecasting and Social Change}, volume = {170}, journal = {Technological Forecasting and Social Change}, number = {Art. 120925}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0040-1625}, doi = {10.1016/j.techfore.2021.120925}, year = {2021}, language = {en} } @article{BronderPoghossianJessingetal.2019, author = {Bronder, Thomas and Poghossian, Arshak and Jessing, Max P. and Keusgen, Michael and Sch{\"o}ning, Michael Josef}, title = {Surface regeneration and reusability of label-free DNA biosensors based on weak polyelectrolyte-modified capacitive field-effect structures}, series = {Biosensors and Bioelectronics}, volume = {126}, journal = {Biosensors and Bioelectronics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0956-5663}, doi = {10.1016/j.bios.2018.11.019}, pages = {510 -- 517}, year = {2019}, language = {en} } @article{PoghossianMalzahnAbouzaretal.2011, author = {Poghossian, Arshak and Malzahn, K. and Abouzar, Maryam H. and Mehndiratta, P. and Katz, E. and Sch{\"o}ning, Michael Josef}, title = {Integration of biomolecular logic gates with field-effect transducers}, series = {Electrochimica Acta. 56 (2011), H. 26}, journal = {Electrochimica Acta. 56 (2011), H. 26}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0013-4686}, pages = {9661 -- 9665}, year = {2011}, language = {en} } @article{SchusserPoghossianBaeckeretal.2015, author = {Schusser, Sebastian and Poghossian, Arshak and B{\"a}cker, Matthias and Krischer, M. and Leinhos, Marcel and Wagner, P. and Sch{\"o}ning, Michael Josef}, title = {An application of field-effect sensors for in-situ monitoring of degradation of biopolymers}, series = {Sensors and actuators B: Chemical}, volume = {207, Part B}, journal = {Sensors and actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1873-3077 (E-Journal); 0925-4005 (Print)}, doi = {10.1016/j.snb.2014.10.058}, pages = {954 -- 959}, year = {2015}, abstract = {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).}, language = {en} } @article{TippkoetterDuweWiesenetal.2014, author = {Tippk{\"o}tter, Nils and Duwe, Anna-Maria and Wiesen, Sebastian and Sieker, Tim and Ulber, Roland}, title = {Enzymatic hydrolysis of beech wood lignocellulose at high solid contents and its utilization as substrate for the production of biobutanol and dicarboxylic acids}, series = {Bioresource Technology}, volume = {167}, journal = {Bioresource Technology}, publisher = {Elsevier}, address = {Amsterdam}, doi = {10.1016/j.biortech.2014.06.052}, pages = {447 -- 455}, year = {2014}, abstract = {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.}, language = {en} } @article{SchusserPoghossianBaeckeretal.2012, author = {Schusser, Sebastian and Poghossian, Arshak and B{\"a}cker, Matthias and Leinhos, Marcel and Wagner, Patrick and Sch{\"o}ning, Michael Josef}, title = {Characterization of biodegradable polymers with capacitive field-effect sensors}, series = {Sensors and actuators B: Chemical}, volume = {187}, journal = {Sensors and actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2012.07.099}, pages = {2 -- 7}, year = {2012}, abstract = {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.}, language = {en} } @article{SchusserKrischerMolinetal.2015, author = {Schusser, Sebastian and Krischer, M. and Molin, D. G. M. and Akker, N. M. S. van den and B{\"a}cker, Matthias and Poghossian, Arshak and Sch{\"o}ning, Michael Josef}, title = {Sensor System for in-situ and Real-time Monitoring of Polymer (bio) degradation}, series = {Procedia Engineering}, volume = {120}, journal = {Procedia Engineering}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1877-7058}, doi = {10.1016/j.proeng.2015.08.815}, pages = {948 -- 951}, year = {2015}, abstract = {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.}, language = {en} } @article{JayaramanMummidisettyLoeschetal.2019, author = {Jayaraman, Chandrasekaran and Mummidisetty, Chaitanya Krishna and Loesch, Alexandra and Kaur, Sandi and Hoppe-Ludwig, Shenan and Staat, Manfred and Jayaraman, Arun}, title = {Postural and metabolic benefits of using a forearm support walker in older adults with impairments}, series = {Archives of Physical Medicine and Rehabilitation}, volume = {Volume 100}, journal = {Archives of Physical Medicine and Rehabilitation}, number = {Issue 4}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0003-9993}, doi = {10.1016/j.apmr.2018.10.001}, pages = {638 -- 647}, year = {2019}, language = {en} } @article{MolinnusHardtKaeveretal.2018, author = {Molinnus, Denise and Hardt, G. and K{\"a}ver, L. and Willenberg, H.S. and Kr{\"o}ger, J.-C. and Poghossian, Arshak and Keusgen, Michael and Sch{\"o}ning, Michael Josef}, title = {Chip-based biosensor for the detection of low adrenaline concentrations to support adrenal venous sampling}, series = {Sensor and Actuators B: Chemical}, volume = {272}, journal = {Sensor and Actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2018.05.136}, pages = {21 -- 27}, year = {2018}, abstract = {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.}, language = {en} } @article{BaeckerDellePoghossianetal.2011, author = {B{\"a}cker, Matthias and Delle, L. and Poghossian, Arshak and Biselli, Manfred and Zang, Werner and Wagner, P. and Sch{\"o}ning, Michael Josef}, title = {Electrochemical sensor array for bioprocess monitoring}, series = {Electrochimica Acta (2011)}, volume = {56}, journal = {Electrochimica Acta (2011)}, number = {26}, publisher = {Elsevier}, address = {Amsterdam}, pages = {9673 -- 9678}, year = {2011}, language = {en} } @article{ValeroBung2016, author = {Valero, Daniel and Bung, Daniel Bernhard}, title = {Sensitivity of turbulent Schmidt number and turbulence model to simulations of jets in crossflow}, series = {Environmental Modelling and Software}, volume = {82}, journal = {Environmental Modelling and Software}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1364-8152 (electronic)}, doi = {10.1016/j.envsoft.2016.04.030}, pages = {218 -- 228}, year = {2016}, abstract = {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.}, language = {en} } @article{HonarvarfardGamellaPoghossianetal.2017, author = {Honarvarfard, Elham and Gamella, Maria and Poghossian, Arshak and Sch{\"o}ning, Michael Josef and Katz, Evgeny}, title = {An enzyme-based reversible Controlled NOT (CNOT) logic gate operating on a semiconductor transducer}, series = {Applied Materials Today}, volume = {9}, journal = {Applied Materials Today}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2352-9407}, doi = {10.1016/j.apmt.2017.08.003}, pages = {266 -- 270}, year = {2017}, abstract = {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.}, language = {en} } @article{GossmannThomasHorvathetal.2020, author = {Gossmann, Matthias and Thomas, Ulrich and Horv{\´a}th, Andr{\´a}s and Dragicevic, Elena and Stoelzle-Feix, Sonja and Jung, Alexander and Raman, Aravind Hariharan and Staat, Manfred and Linder, Peter}, title = {A higher-throughput approach to investigate cardiac contractility in vitro under physiological mechanical conditions}, series = {Journal of Pharmacological and Toxicological Methods}, volume = {105}, journal = {Journal of Pharmacological and Toxicological Methods}, number = {Article 106843}, publisher = {Elsevier}, address = {New York, NY}, doi = {10.1016/j.vascn.2020.106843}, year = {2020}, language = {en} } @incollection{HoffschmidtAlexopoulosRauetal.2012, author = {Hoffschmidt, Bernhard and Alexopoulos, Spiros and Rau, Christoph and Sattler, Johannes Christoph and Anthrakidis, Anette and Teixeira Boura, Cristiano Jos{\´e} and O'Connor, P. and Hilger, Patrick}, title = {Concentrating solar power}, series = {Comprehensive renewable energy / ed. Ali Sayigh. Vol. 3: Solar thermal systems: components and applications}, volume = {3}, booktitle = {Comprehensive renewable energy / ed. Ali Sayigh. Vol. 3: Solar thermal systems: components and applications}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {978-0-08-087872-0}, doi = {10.1016/B978-0-08-087872-0.00319-X}, pages = {595 -- 636}, year = {2012}, language = {en} } @article{LinderBecklerDoerretal.2019, author = {Linder, Peter and Beckler, Matthias and Doerr, Leo and Stoelzle-Feix, Sonja and Fertig, Niels and Jung, Alexander and Staat, Manfred and Gossmann, Matthias}, title = {A new in vitro tool to investigate cardiac contractility under physiological mechanical conditions}, series = {Journal of Pharmacological and Toxicological Methods}, volume = {99}, journal = {Journal of Pharmacological and Toxicological Methods}, number = {Article number 106595}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1056-8719}, doi = {10.1016/j.vascn.2019.05.162}, year = {2019}, language = {en} } @article{HuckJollyWagneretal.2011, author = {Huck, Christina and Jolly, Christina and Wagner, Patrick and Poghossian, Arshak and Sch{\"o}ning, Michael Josef}, title = {One-chip integrated dual amperometric/field-effect sensor for the detection of dissolved hydrogen}, series = {Procedia Engineering. 25 (2011)}, journal = {Procedia Engineering. 25 (2011)}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {1877-7058}, pages = {1161 -- 1164}, year = {2011}, language = {en} } @article{MonakhovaDiehl2021, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Novel approach of qNMR workflow by standardization using 2H integral: Application to any intrinsic calibration standard}, series = {Talanta}, volume = {222}, journal = {Talanta}, number = {Article number: 121504}, publisher = {Elsevier}, isbn = {0039-9140}, doi = {10.1016/j.talanta.2020.121504}, year = {2021}, abstract = {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.).}, language = {en} } @inproceedings{PaulsenHoffstadtKrafftetal.2020, author = {Paulsen, Svea and Hoffstadt, Kevin and Krafft, Simone and Leite, A. and Zang, J. and Fonseca-Zang, W. and Kuperjans, Isabel}, title = {Continuous biogas production from sugarcane as sole substrate}, series = {Energy Reports}, volume = {6}, booktitle = {Energy Reports}, number = {Supplement 1}, publisher = {Elsevier}, doi = {10.1016/j.egyr.2019.08.035}, pages = {153 -- 158}, year = {2020}, abstract = {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.}, language = {en} } @article{MonakhovaDiehl2022, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {209}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114530}, publisher = {Elsevier}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2021.114530}, year = {2022}, abstract = {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.}, language = {en} } @article{BlockMayWetzeletal.2023, author = {Block, Franziska and May, Alexander and Wetzel, Katharina and Adels, Klaudia and Elbers, Gereon and Schulze, Margit and Monakhova, Yulia}, title = {What is the best spectroscopic method for simultaneous analysis of organic acids and (poly)saccharides in biological matrices: Example of Aloe vera extracts?}, series = {Talanta Open}, volume = {7}, journal = {Talanta Open}, number = {Art. No. 100220}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2666-8319}, doi = {10.1016/j.talo.2023.100220}, pages = {1 -- 9}, year = {2023}, abstract = {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.}, language = {en} } @article{OezsoyluKizildagSchoeningetal.2020, author = {{\"O}zsoylu, Dua and Kizildag, Sefa and Sch{\"o}ning, Michael Josef and Wagner, Torsten}, title = {Differential chemical imaging of extracellular acidification within microfluidic channels using a plasma-functionalized light-addressable potentiometric sensor (LAPS)}, series = {Physics in Medicine}, volume = {10}, journal = {Physics in Medicine}, number = {100030}, publisher = {Elsevier}, address = {Amsterdam}, issn = {2352-4510}, doi = {10.1016/j.phmed.2020.100030}, pages = {8}, year = {2020}, abstract = {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.}, language = {en} } @article{EngelmannPourshahidiShalabyetal.2022, author = {Engelmann, Ulrich M. and Pourshahidi, Mohammad Ali and Shalaby, Ahmed and Krause, Hans-Joachim}, title = {Probing particle size dependency of frequency mixing magnetic detection with dynamic relaxation simulation}, series = {Journal of Magnetism and Magnetic Materials}, volume = {563}, journal = {Journal of Magnetism and Magnetic Materials}, number = {In progress, Art. No. 169965}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2022.169965}, year = {2022}, abstract = {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.}, language = {en} } @incollection{MufflerPothSiekeretal.2011, author = {Muffler, Kai and Poth, Sabastian and Sieker, Tim and Tippk{\"o}tter, Nils and Ulber, Roland and Sell, Dieter}, title = {Bio-feedstocks}, series = {Comprehensive biotechnology : principles and practices in industry, agcriculture, medicine and the environment. Volume 2: Engineering fundamentals of biotechnology}, booktitle = {Comprehensive biotechnology : principles and practices in industry, agcriculture, medicine and the environment. Volume 2: Engineering fundamentals of biotechnology}, editor = {Moo-Young, Murray}, edition = {2. edition}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {978-0-444-53352-4}, doi = {10.1016/B978-0-08-088504-9.00088-X}, pages = {93 -- 101}, year = {2011}, language = {en} } @article{ZhenLiangStaatetal.2024, author = {Zhen, Manghao and Liang, Yunpei and Staat, Manfred and Li, Quanqui and Li, Jianbo}, title = {Discontinuous fracture behaviors and constitutive model of sandstone specimens containing non-parallel prefabricated fissures under uniaxial compression}, series = {Theoretical and Applied Fracture Mechanics}, volume = {131}, journal = {Theoretical and Applied Fracture Mechanics}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0167-8442}, doi = {10.1016/j.tafmec.2024.104373}, pages = {Artikel 104373}, year = {2024}, abstract = {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.}, language = {en} } @article{DiktaReisselHarlass2016, author = {Dikta, Gerhard and Reißel, Martin and Harlaß, Carsten}, title = {Semi-parametric survival function estimators deduced from an identifying Volterra type integral equation}, series = {Journal of multivariate analysis}, journal = {Journal of multivariate analysis}, number = {147}, publisher = {Elsevier}, address = {Amsterdam}, doi = {10.1016/j.jmva.2016.02.008}, pages = {273 -- 284}, year = {2016}, abstract = {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.}, language = {en} } @article{MichaelMayerWeberetal.2017, author = {Michael, Hackl and Mayer, Katharina and Weber, Mareike and Staat, Manfred and van Riet, Roger and Burkhart, Klau Josef and M{\"u}ller, Lars Peter and Wegmann, Kilian}, title = {Plate osteosynthesis of proximal ulna fractures : a biomechanical micromotion analysis}, series = {The journal of hand surgery}, volume = {42}, journal = {The journal of hand surgery}, number = {10}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0363-5023}, doi = {10.1016/j.jhsa.2017.05.014}, pages = {834.e1 -- 834.e7}, year = {2017}, language = {en} } @article{RhodenBallGrajewskietal.2023, author = {Rhoden, Imke and Ball, Christopher Stephen and Grajewski, Matthias and Kuckshinrich, Wilhelm}, title = {Reverse engineering of stakeholder preferences - A multi-criteria assessment of the German passenger car sector}, series = {Renewable and Sustainable Energy Reviews}, volume = {181}, journal = {Renewable and Sustainable Energy Reviews}, number = {July 2023}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1364-0321}, doi = {10.1016/j.rser.2023.113352}, pages = {Article number: 113352}, year = {2023}, abstract = {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.}, language = {en} } @article{Gaigall2020, author = {Gaigall, Daniel}, title = {Rothman-Woodroofe symmetry test statistic revisited}, series = {Computational Statistics \& Data Analysis}, volume = {2020}, journal = {Computational Statistics \& Data Analysis}, number = {142}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0167-9473}, doi = {10.1016/j.csda.2019.106837}, pages = {Artikel 106837}, year = {2020}, abstract = {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.}, language = {en} } @article{FrotscherMuanghongDursunetal.2016, author = {Frotscher, Ralf and Muanghong, Danita and Dursun, G{\"o}zde and Goßmann, Matthias and Temiz Artmann, Ayseg{\"u}l and Staat, Manfred}, title = {Sample-specific adaption of an improved electro-mechanical model of in vitro cardiac tissue}, series = {Journal of Biomechanics}, volume = {49}, journal = {Journal of Biomechanics}, number = {12}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0021-9290 (Print)}, doi = {10.1016/j.jbiomech.2016.01.039}, pages = {2428 -- 2435}, year = {2016}, abstract = {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.}, language = {en} } @article{WeemstraEilmannSassKlaassenetal.2013, author = {Weemstra, Monique and Eilmann, Britta and Sass-Klaassen, Ute G. W. and Sterck, Frank J.}, title = {Summer droughts limit tree growth across 10 temperate species on a productive forest site}, series = {Forest Ecology and Management}, volume = {2013}, journal = {Forest Ecology and Management}, number = {306}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0378-1127 (Print)}, doi = {doi:10.1016/j.foreco.2013.06.007}, pages = {142 -- 149}, year = {2013}, language = {en} } @article{FeichtingerEilmannBuchmannetal.2014, author = {Feichtinger, Linda M. and Eilmann, Britta and Buchmann, Nina and Rigling, Andreas}, title = {Growth adjustments of conifers to drought and to century-long irrigation}, series = {Forest Ecology and Management}, volume = {2014}, journal = {Forest Ecology and Management}, number = {334}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1872-7042 (Online)}, doi = {10.1016/j.foreco.2014.08.008}, pages = {96 -- 105}, year = {2014}, abstract = {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.}, language = {en} } @article{FredebeulKreinSteingroever2014, author = {Fredebeul-Krein, Markus and Steingr{\"o}ver, Markus}, title = {Wholesale broadband access to IPTV in an NGA environment : how to deal with it from a regulatory perspective?}, series = {Telecommunications Policy}, volume = {38}, journal = {Telecommunications Policy}, number = {3}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0308-5961 (Print)}, doi = {doi:10.1016/j.telpol.2013.04.002}, pages = {264 -- 277}, year = {2014}, language = {en} } @article{ZhangHeimbachScheeretal.2016, author = {Zhang, Jin and Heimbach, Tycho and Scheer, Nico and Barve, Avantika and Li, Wenkui and Lin, Wen and He, Handan}, title = {Clinical Exposure Boost Predictions by Integrating Cytochrome P450 3A4-Humanized Mouse Studies With PBPK Modeling}, series = {Journal of Pharmaceutical Sciences}, volume = {Volume 105}, journal = {Journal of Pharmaceutical Sciences}, number = {Issue 4}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0022-3549}, doi = {doi.org/10.1016/j.xphs.2016.01.021}, pages = {1398 -- 1404}, year = {2016}, abstract = {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.}, language = {en} } @article{JungMuellerStaat2019, author = {Jung, Alexander and M{\"u}ller, Wolfram and Staat, Manfred}, title = {Optimization of the flight technique in ski jumping: the influence of wind}, number = {Early view}, publisher = {Elsevier}, address = {Amsterdam}, doi = {10.1016/j.jbiomech.2019.03.023}, year = {2019}, language = {en} } @article{EilmanndeVriesdenOudenetal.2013, author = {Eilmann, Britta and de Vries, Sven M. G. and den Ouden, Jan and Mohren, Godefridus M. J. and Sauren, Pascal and Sass-Klaassen, Ute G. W.}, title = {Origin matters! Difference in drought tolerance and productivity of coastal Douglas-fir (Pseudotsuga menziesii (Mirb.)) provenances}, series = {Forest Ecology and Management}, volume = {2013}, journal = {Forest Ecology and Management}, number = {302}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1872-7042 (Online)}, doi = {doi:10.1016/j.foreco.2013.03.031}, pages = {133 -- 143}, year = {2013}, language = {en} } @article{HorbachDuongStaat2017, author = {Horbach, Andreas and Duong, Minh Tuan and Staat, Manfred}, title = {Modelling of compressible and orthotropic surgical mesh implants based on optical deformation measurement}, series = {Journal of the mechanical behavior of biomedical materials}, volume = {74}, journal = {Journal of the mechanical behavior of biomedical materials}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2017.06.012}, pages = {400 -- 410}, year = {2017}, language = {en} } @article{GrajewskiKoesterTurek2010, author = {Grajewski, Matthias and K{\"o}ster, Michael and Turek, Stefam}, title = {Numerical analysis and implementational aspects of a new multilevel grid deformation method}, series = {Applied Numerical Mathematics}, volume = {60}, journal = {Applied Numerical Mathematics}, number = {8}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0168-9274}, doi = {10.1016/j.apnum.2010.03.017}, pages = {767 -- 781}, year = {2010}, abstract = {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.}, language = {en} } @article{StaatVu2012, author = {Staat, Manfred and Vu, Duc Khoi}, title = {Limit analysis of flaws in pressurized pipes and cylindrical vessels Part II: Circumferential defects}, series = {Engineering Fracture Mechanics ; 97(2013), H. 1}, volume = {97}, journal = {Engineering Fracture Mechanics ; 97(2013), H. 1}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0013-7944}, doi = {10.1016/j.engfracmech.2012.05.017}, pages = {314 -- 333}, year = {2012}, abstract = {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.}, language = {en} } @article{MuesgenanntKoersPrevostPaulssenetal.2023, author = {Mues genannt Koers, Lucas and Prevost, David and Paulßen, Elisabeth and Hoehr, Cornelia}, title = {Density reduction effects on the production of [11C]CO2 in Nb-body targets on a medical cyclotron}, volume = {199}, number = {Art. 110911}, publisher = {Elsevier}, address = {Amsterdam}, doi = {10.1016/j.apradiso.2023.110911}, year = {2023}, abstract = {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).}, language = {en} } @article{PourshahidiEngelmannOffenhaeusseretal.2022, author = {Pourshahidi, Ali Mohammad and Engelmann, Ulrich M. and Offenh{\"a}usser, Andreas and Krause, Hans-Joachim}, title = {Resolving ambiguities in core size determination of magnetic nanoparticles from magnetic frequency mixing data}, series = {Journal of Magnetism and Magnetic Materials}, volume = {563}, journal = {Journal of Magnetism and Magnetic Materials}, number = {In progress, Art. No. 169969}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2022.169969}, year = {2022}, abstract = {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.}, language = {en} } @article{MonakhovaDiehl2022, author = {Monakhova, Yulia and Diehl, Bernd W.K.}, title = {Nuclear magnetic resonance spectroscopy as an elegant tool for a complete quality control of crude heparin material}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {219}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114915}, publisher = {Elsevier}, address = {New York, NY}, issn = {0731-7085}, doi = {10.1016/j.jpba.2022.114915}, year = {2022}, abstract = {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).}, language = {en} } @article{AchtsnichtSchoenenbornOffenhaeusseretal.2019, author = {Achtsnicht, Stefan and Sch{\"o}nenborn, Kristina and Offenh{\"a}usser, Andreas and Krause, Hans-Joachim}, title = {Measurement of the magnetophoretic velocity of different superparamagnetic beads}, series = {Journal of Magnetism and Magnetic Materials}, volume = {477}, journal = {Journal of Magnetism and Magnetic Materials}, number = {1}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2018.10.066}, pages = {244 -- 248}, year = {2019}, abstract = {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.}, language = {en} } @article{AdelsMonakhova2024, author = {Adels, Klaudia and Monakhova, Yulia}, title = {Low-field NMR spectroscopic study of e-cigarettes: Is determination of only nicotine and organic carrier solvents possible?}, series = {Microchemical Journal}, volume = {203}, journal = {Microchemical Journal}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1095-9149}, doi = {10.1016/j.microc.2024.110859}, pages = {9 Seiten}, year = {2024}, abstract = {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.}, language = {en} } @article{BurgerLindnerRumpfetal.2022, author = {Burger, Ren{\´e} and Lindner, Simon and Rumpf, Jessica and Do, Xuan Tung and Diehl, Bernd W.K. and Rehahn, Matthias and Monakhova, Yulia and Schulze, Margit}, title = {Benchtop versus high field NMR: Comparable performance found for the molecular weight determination of lignin}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {212}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 114649}, publisher = {Elsevier}, address = {New York, NY}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2022.114649}, year = {2022}, abstract = {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.}, language = {en} } @article{MonakhovaSobolevaFedotovaetal.2022, author = {Monakhova, Yulia and Soboleva, Polina M. and Fedotova, Elena S. and Musina, Kristina T. and Burmistrova, Natalia A.}, title = {Quantum chemical calculations of IR spectra of heparin disaccharide subunits}, series = {Computational and Theoretical Chemistry}, volume = {1217}, journal = {Computational and Theoretical Chemistry}, number = {Article number: 113891}, publisher = {Elsevier}, address = {New York, NY}, isbn = {2210-271X}, doi = {10.1016/j.comptc.2022.113891}, year = {2022}, abstract = {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.}, language = {en} } @article{BurmistrovaSobolevaMonakhova2021, author = {Burmistrova, Natalia A. and Soboleva, Polina M. and Monakhova, Yulia}, title = {Is infrared spectroscopy combined with multivariate analysis a promising tool for heparin authentication?}, series = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {194}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, number = {Article number: 113811}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {0731-7085}, doi = {10.1016/j.jpba.2020.113811}, year = {2021}, abstract = {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.}, language = {en} } @article{SchopenShahEschetal.2024, author = {Schopen, Oliver and Shah, Neel and Esch, Thomas and Shabani, Bahman}, title = {Critical quantitative evaluation of integrated health management methods for fuel cell applications}, series = {International Journal of Hydrogen Energy}, volume = {70}, journal = {International Journal of Hydrogen Energy}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.05.156}, pages = {370 -- 388}, year = {2024}, abstract = {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.}, language = {en} } @article{HaegerBongaertsSiegert2022, author = {Haeger, Gerrit and Bongaerts, Johannes and Siegert, Petra}, title = {A convenient ninhydrin assay in 96-well format for amino acid-releasing enzymes using an air-stable reagent}, series = {Analytical Biochemistry}, journal = {Analytical Biochemistry}, number = {624}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1096-0309}, doi = {10.1016/j.ab.2022.114819}, pages = {Artikel 114819}, year = {2022}, abstract = {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.}, language = {en} } @article{GrandeMeffertSchoenbergeretal.2012, author = {Grande, Marion and Meffert, Elisabeth and Schoenberger, Eva and Jung, Stefanie and Frauenrath, Tobias and Huber, Walter and Hussmann, Katja and Moormann, Mareike and Heim, Stefan}, title = {From a concept to a word in a syntactically complete sentence: An fMRI study on spontaneous language production in an overt picture description task}, series = {NeuroImage}, volume = {61}, journal = {NeuroImage}, number = {3}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1522-2586}, doi = {10.1016/j.neuroimage.2012.03.087}, pages = {702 -- 714}, year = {2012}, abstract = {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.}, language = {en} }