@article{VahidpourAlghazaliAkcaetal.2022, author = {Vahidpour, Farnoosh and Alghazali, Yousef H. M. and Akca, Sevilay and Hommes, Gregor and Sch{\"o}ning, Michael Josef}, title = {An Enzyme-Based Interdigitated Electrode-Type Biosensor for Detecting Low Concentrations of H₂O₂ Vapor/Aerosol}, series = {Chemosensors}, volume = {10}, journal = {Chemosensors}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2227-9040}, doi = {10.3390/chemosensors10060202}, pages = {Arikel 202}, year = {2022}, abstract = {This work introduces a novel method for the detection of H₂O₂ vapor/aerosol of low concentrations, which is mainly applied in the sterilization of equipment in medical industry. Interdigitated electrode (IDE) structures have been fabricated by means of microfabrication techniques. A differential setup of IDEs was prepared, containing an active sensor element (active IDE) and a passive sensor element (passive IDE), where the former was immobilized with an enzymatic membrane of horseradish peroxidase that is selective towards H₂O₂. Changes in the IDEs' capacitance values (active sensor element versus passive sensor element) under H₂O₂ vapor/aerosol atmosphere proved the detection in the concentration range up to 630 ppm with a fast response time (<60 s). The influence of relative humidity was also tested with regard to the sensor signal, showing no cross-sensitivity. The repeatability assessment of the IDE biosensors confirmed their stable capacitive signal in eight subsequent cycles of exposure to H₂O₂ vapor/aerosol. Room-temperature detection of H₂O₂ vapor/aerosol with such miniaturized biosensors will allow a future three-dimensional, flexible mapping of aseptic chambers and help to evaluate sterilization assurance in medical industry.}, 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{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{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} } @inproceedings{LangohrBungCrookston2022, author = {Langohr, Philipp and Bung, Daniel Bernhard and Crookston, Brian M.}, title = {Hybrid investigation of labyrinth weirs: Discharge capacity and energy dissipation}, series = {Proceedings of the 39th IAHR World Congress}, booktitle = {Proceedings of the 39th IAHR World Congress}, editor = {Ortega-S{\´a}nchez, Miguel}, publisher = {International Association for Hydro-Environment Engineering and Research (IAHR)}, address = {Madrid}, isbn = {978-90-832612-1-8}, issn = {2521-7119 (print)}, doi = {10.3850/IAHR-39WC252171192022738}, pages = {2313 -- 2318}, year = {2022}, abstract = {The replacement of existing spillway crests or gates with labyrinth weirs is a proven techno-economical means to increase the discharge capacity when rehabilitating existing structures. However, additional information is needed regarding energy dissipation of such weirs, since due to the folded weir crest, a three-dimensional flow field is generated, yielding more complex overflow and energy dissipation processes. In this study, CFD simulations of labyrinth weirs were conducted 1) to analyze the discharge coefficients for different discharges to compare the Cd values to literature data and 2) to analyze and improve energy dissipation downstream of the structure. All tests were performed for a structure at laboratory scale with a height of approx. P = 30.5 cm, a ratio of the total crest length to the total width of 4.7, a sidewall angle of 10° and a quarter-round weir crest shape. Tested headwater ratios were 0.089 ≤ HT/P ≤ 0.817. For numerical simulations, FLOW-3D Hydro was employed, solving the RANS equations with use of finite-volume method and RNG k-ε turbulence closure. In terms of discharge capacity, results were compared to data from physical model tests performed at the Utah Water Research Laboratory (Utah State University), emphasizing higher discharge coefficients from CFD than from the physical model. For upstream heads, some discrepancy in the range of ± 1 cm between literature, CFD and physical model tests was identified with a discussion regarding differences included in the manuscript. For downstream energy dissipation, variable tailwater depths were considered to analyze the formation and sweep-out of a hydraulic jump. It was found that even for high discharges, relatively low downstream Froude numbers were obtained due to high energy dissipation involved by the three-dimensional flow between the sidewalls. The effects of some additional energy dissipation devices, e.g. baffle blocks or end sills, were also analyzed. End sills were found to be non-effective. However, baffle blocks with different locations may improve energy dissipation downstream of labyrinth weirs.}, language = {en} } @inproceedings{CrookstonBung2022, author = {Crookston, Brian M. and Bung, Daniel Bernhard}, title = {Application of RGB-D cameras in hydraulic laboratory studies}, series = {Proceedings of the 39th IAHR World Congress}, booktitle = {Proceedings of the 39th IAHR World Congress}, editor = {Ortega-S{\´a}nchez, Miguel}, publisher = {International Association for Hydro-Environment Engineering and Research (IAHR)}, address = {Madrid}, isbn = {978-90-832612-1-8}, issn = {2521-7119 (print)}, doi = {10.3850/IAHR-39WC252171192022964}, pages = {5127 -- 5133}, year = {2022}, abstract = {Non-intrusive measuring techniques have attained a lot of interest in relation to both hydraulic modeling and prototype applications. Complimenting acoustic techniques, significant progress has been made for the development of new optical methods. Computer vision techniques can help to extract new information, e. g. high-resolution velocity and depth data, from videos captured with relatively inexpensive, consumer-grade cameras. Depth cameras are sensors providing information on the distance between the camera and observed features. Currently, sensors with different working principles are available. Stereoscopic systems reference physical image features (passive system) from two perspectives; in order to enhance the number of features and improve the results, a sensor may also estimate the disparity from a detected light to its original projection (active stereo system). In the current study, the RGB-D camera Intel RealSense D435, working on such stereo vision principle, is used in different, typical hydraulic modeling applications. All tests have been conducted at the Utah Water Research Laboratory. This paper will demonstrate the performance and limitations of the RGB-D sensor, installed as a single camera and as camera arrays, applied to 1) detect the free surface for highly turbulent, aerated hydraulic jumps, for free-falling jets and for an energy dissipation basin downstream of a labyrinth weir and 2) to monitor local scours upstream and downstream of a Piano Key Weir. It is intended to share the authors' experiences with respect to camera settings, calibration, lightning conditions and other requirements in order to promote this useful, easily accessible device. Results will be compared to data from classical instrumentation and the literature. It will be shown that even in difficult application, e. g. the detection of a highly turbulent, fluctuating free-surface, the RGB-D sensor may yield similar accuracy as classical, intrusive probes.}, language = {en} } @inproceedings{TranTrinhDaoetal.2022, author = {Tran, Ngoc Trinh and Trinh, Tu Luc and Dao, Ngoc Tien and Giap, Van Tan and Truong, Manh Khuyen and Dinh, Thuy Ha and Staat, Manfred}, title = {Limit and shakedown analysis of structures under random strength}, series = {Proceedings of (NACOME2022) The 11th National Conference on Mechanics, Vol. 1. Solid Mechanics, Rock Mechanics, Artificial Intelligence, Teaching and Training}, booktitle = {Proceedings of (NACOME2022) The 11th National Conference on Mechanics, Vol. 1. Solid Mechanics, Rock Mechanics, Artificial Intelligence, Teaching and Training}, publisher = {Nha xuat ban Khoa hoc tu nhien va Cong nghe (Verlag Naturwissenschaft und Technik)}, address = {Hanoi}, isbn = {978-604-357-084-7}, pages = {510 -- 518}, year = {2022}, abstract = {Direct methods comprising limit and shakedown analysis is a branch of computational mechanics. It plays a significant role in mechanical and civil engineering design. The concept of direct method aims to determinate the ultimate load bearing capacity of structures beyond the elastic range. For practical problems, the direct methods lead to nonlinear convex optimization problems with a large number of variables and onstraints. If strength and loading are random quantities, the problem of shakedown analysis is considered as stochastic programming. This paper presents a method so called chance constrained programming, an effective method of stochastic programming, to solve shakedown analysis problem under random condition of strength. In this our investigation, the loading is deterministic, the strength is distributed as normal or lognormal variables.}, language = {en} } @misc{KeimerGirbigMayntzetal.2022, author = {Keimer, Jona and Girbig, Leo and Mayntz, Joscha and Tegtmeyer, Philipp and Wendland, Frederik and Dahman, Peter and Fisher, Alex and Dorrington, Graham}, title = {Flight mission optimization for eco-efficiency in consideration of electric regeneration and atmospheric conditions}, series = {AIAA AVIATION 2022 Forum}, journal = {AIAA AVIATION 2022 Forum}, publisher = {AIAA}, address = {Reston, Va.}, doi = {10.2514/6.2022-4118}, year = {2022}, abstract = {The development and operation of hybrid or purely electrically powered aircraft in regional air mobility is a significant challenge for the entire aviation sector. This technology is expected to lead to substantial advances in flight performance, energy efficiency, reliability, safety, noise reduction, and exhaust emissions. Nevertheless, any consumed energy results in heat or carbon dioxide emissions and limited electric energy storage capabilities suppress commercial use. Therefore, the significant challenges to achieving eco-efficient aviation are increased aircraft efficiency, the development of new energy storage technologies, and the optimization of flight operations. Two major approaches for higher eco-efficiency are identified: The first one, is to take horizontal and vertical atmospheric motion phenomena into account. Where, in particular, atmospheric waves hold exciting potential. The second one is the use of the regeneration ability of electric aircraft. The fusion of both strategies is expected to improve efficiency. The objective is to reduce energy consumption during flight while not neglecting commercial usability and convenient flight characteristics. Therefore, an optimized control problem based on a general aviation class aircraft has to be developed and validated by flight experiments. The formulated approach enables a development of detailed knowledge of the potential and limitations of optimizing flight missions, considering the capability of regeneration and atmospheric influences to increase efficiency and range.}, language = {en} }