@article{GriegerSchwabedalWendeletal.2021, author = {Grieger, Niklas and Schwabedal, Justus T. C. and Wendel, Stefanie and Ritze, Yvonne and Bialonski, Stephan}, title = {Automated scoring of pre-REM sleep in mice with deep learning}, series = {Scientific Reports}, volume = {11}, journal = {Scientific Reports}, number = {Art. 12245}, publisher = {Springer Nature}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-021-91286-0}, year = {2021}, abstract = {Reliable automation of the labor-intensive manual task of scoring animal sleep can facilitate the analysis of long-term sleep studies. In recent years, deep-learning-based systems, which learn optimal features from the data, increased scoring accuracies for the classical sleep stages of Wake, REM, and Non-REM. Meanwhile, it has been recognized that the statistics of transitional stages such as pre-REM, found between Non-REM and REM, may hold additional insight into the physiology of sleep and are now under vivid investigation. We propose a classification system based on a simple neural network architecture that scores the classical stages as well as pre-REM sleep in mice. When restricted to the classical stages, the optimized network showed state-of-the-art classification performance with an out-of-sample F1 score of 0.95 in male C57BL/6J mice. When unrestricted, the network showed lower F1 scores on pre-REM (0.5) compared to the classical stages. The result is comparable to previous attempts to score transitional stages in other species such as transition sleep in rats or N1 sleep in humans. Nevertheless, we observed that the sequence of predictions including pre-REM typically transitioned from Non-REM to REM reflecting sleep dynamics observed by human scorers. Our findings provide further evidence for the difficulty of scoring transitional sleep stages, likely because such stages of sleep are under-represented in typical data sets or show large inter-scorer variability. We further provide our source code and an online platform to run predictions with our trained network.}, language = {en} } @article{BechtSchollmayerMonakhovaetal.2021, author = {Becht, Alexander and Schollmayer, Curd and Monakhova, Yulia and Holzgrabe, Ulrike}, title = {Tracing the origin of paracetamol tablets by near-infrared, mid-infrared, and nuclear magnetic resonance spectroscopy using principal component analysis and linear discriminant analysis}, series = {Analytical and Bioanalytical Chemistry}, volume = {413}, journal = {Analytical and Bioanalytical Chemistry}, publisher = {Springer Nature}, issn = {1618-2650}, doi = {10.1007/s00216-021-03249-z}, pages = {3107 -- 3118}, year = {2021}, abstract = {Most drugs are no longer produced in their own countries by the pharmaceutical companies, but by contract manufacturers or at manufacturing sites in countries that can produce more cheaply. This not only makes it difficult to trace them back but also leaves room for criminal organizations to fake them unnoticed. For these reasons, it is becoming increasingly difficult to determine the exact origin of drugs. The goal of this work was to investigate how exactly this is possible by using different spectroscopic methods like nuclear magnetic resonance and near- and mid-infrared spectroscopy in combination with multivariate data analysis. As an example, 56 out of 64 different paracetamol preparations, collected from 19 countries around the world, were chosen to investigate whether it is possible to determine the pharmaceutical company, manufacturing site, or country of origin. By means of suitable pre-processing of the spectra and the different information contained in each method, principal component analysis was able to evaluate manufacturing relationships between individual companies and to differentiate between production sites or formulations. Linear discriminant analysis showed different results depending on the spectral method and purpose. For all spectroscopic methods, it was found that the classification of the preparations to their manufacturer achieves better results than the classification to their pharmaceutical company. The best results were obtained with nuclear magnetic resonance and near-infrared data, with 94.6\%/99.6\% and 98.7/100\% of the spectra of the preparations correctly assigned to their pharmaceutical company or manufacturer.}, language = {en} } @article{BergsMonakhovaDiehletal.2021, author = {Bergs, Michel and Monakhova, Yulia and Diehl, Bernd W. and Konow, Christopher and V{\"o}lkering, Georg and Pude, Ralf and Schulze, Margit}, title = {Lignins isolated via catalyst-free organosolv pulping from Miscanthus x giganteus, M. sinensis, M. robustus and M. nagara: a comparative study}, series = {Molecules}, volume = {26}, journal = {Molecules}, number = {4}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules26040842}, year = {2021}, abstract = {As a low-input crop, Miscanthus offers numerous advantages that, in addition to agricultural applications, permits its exploitation for energy, fuel, and material production. Depending on the Miscanthus genotype, season, and harvest time as well as plant component (leaf versus stem), correlations between structure and properties of the corresponding isolated lignins differ. Here, a comparative study is presented between lignins isolated from M. x giganteus, M. sinensis, M. robustus and M. nagara using a catalyst-free organosolv pulping process. The lignins from different plant constituents are also compared regarding their similarities and differences regarding monolignol ratio and important linkages. Results showed that the plant genotype has the weakest influence on monolignol content and interunit linkages. In contrast, structural differences are more significant among lignins of different harvest time and/or season. Analyses were performed using fast and simple methods such as nuclear magnetic resonance (NMR) spectroscopy. Data was assigned to four different linkages (A: β-O-4 linkage, B: phenylcoumaran, C: resinol, D: β-unsaturated ester). In conclusion, A content is particularly high in leaf-derived lignins at just under 70\% and significantly lower in stem and mixture lignins at around 60\% and almost 65\%. The second most common linkage pattern is D in all isolated lignins, the proportion of which is also strongly dependent on the crop portion. Both stem and mixture lignins, have a relatively high share of approximately 20\% or more (maximum is M. sinensis Sin2 with over 30\%). In the leaf-derived lignins, the proportions are significantly lower on average. Stem samples should be chosen if the highest possible lignin content is desired, specifically from the M. x giganteus genotype, which revealed lignin contents up to 27\%. Due to the better frost resistance and higher stem stability, M. nagara offers some advantages compared to M. x giganteus. Miscanthus crops are shown to be very attractive lignocellulose feedstock (LCF) for second generation biorefineries and lignin generation in Europe.}, language = {en} } @article{BurgerRumpfDoetal.2021, author = {Burger, Ren{\´e} and Rumpf, Jessica and Do, Xuan Tung and Monakhova, Yulia and Diehl, Bernd W. K. and Rehahn, Matthias and Schulze, Margit}, title = {Is NMR combined with multivariate regression applicable for the molecular weight determination of randomly cross-linked polymers such as lignin?}, series = {ACS Omega}, volume = {6}, journal = {ACS Omega}, number = {44}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03574}, pages = {29516 -- 29524}, year = {2021}, abstract = {The molecular weight properties of lignins are one of the key elements that need to be analyzed for a successful industrial application of these promising biopolymers. In this study, the use of 1H NMR as well as diffusion-ordered spectroscopy (DOSY NMR), combined with multivariate regression methods, was investigated for the determination of the molecular weight (Mw and Mn) and the polydispersity of organosolv lignins (n = 53, Miscanthus x giganteus, Paulownia tomentosa, and Silphium perfoliatum). The suitability of the models was demonstrated by cross validation (CV) as well as by an independent validation set of samples from different biomass origins (beech wood and wheat straw). CV errors of ca. 7-9 and 14-16\% were achieved for all parameters with the models from the 1H NMR spectra and the DOSY NMR data, respectively. The prediction errors for the validation samples were in a similar range for the partial least squares model from the 1H NMR data and for a multiple linear regression using the DOSY NMR data. The results indicate the usefulness of NMR measurements combined with multivariate regression methods as a potential alternative to more time-consuming methods such as gel permeation chromatography.}, language = {en} } @article{MonakhovaDiehl2021, author = {Monakhova, Yulia and Diehl, Bernd W. K.}, title = {Simplification of NMR Workflows by Standardization Using 2H Integral of Deuterated Solvent as Applied to Aloe vera Preparations}, series = {Applied Magnetic Resonance}, volume = {52}, journal = {Applied Magnetic Resonance}, number = {11}, publisher = {Springer}, address = {Cham}, issn = {1613-7507}, doi = {10.1007/s00723-021-01393-4}, pages = {1591 -- 1600}, year = {2021}, abstract = {In this study, a recently proposed NMR standardization approach by 2H integral of deuterated solvent for quantitative multicomponent analysis of complex mixtures is presented. As a proof of principle, the existing NMR routine for the analysis of Aloe vera products was modified. Instead of using absolute integrals of targeted compounds and internal standard (nicotinamide) from 1H-NMR spectra, quantification was performed based on the ratio of a particular 1H-NMR compound integral and 2H-NMR signal of deuterated solvent D2O. Validation characteristics (linearity, repeatability, accuracy) were evaluated and the results showed that the method has the same precision as internal standardization in case of multicomponent screening. Moreover, a dehydration process by freeze drying is not necessary for the new routine. Now, our NMR profiling of A. vera products needs only limited sample preparation and data processing. The new standardization methodology provides an appealing alternative for multicomponent NMR screening. In general, this novel approach, using standardization by 2H integral, benefits from reduced sample preparation steps and uncertainties, and is recommended in different application areas (purity determination, forensics, pharmaceutical analysis, etc.).}, 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{PourshahidiAchtsnichtNambipareecheeetal.2021, author = {Pourshahidi, Ali Mohammad and Achtsnicht, Stefan and Nambipareechee, Mrinal Murali and Offenh{\"a}usser, Andreas and Krause, Hans-Joachim}, title = {Multiplex detection of magnetic beads using offset field dependent frequency mixing magnetic detection}, series = {Sensors}, volume = {21}, journal = {Sensors}, number = {17}, publisher = {MDPI}, address = {Basel}, issn = {1424-8220}, doi = {10.3390/s21175859}, pages = {16 Seiten}, year = {2021}, abstract = {Magnetic immunoassays employing Frequency Mixing Magnetic Detection (FMMD) have recently become increasingly popular for quantitative detection of various analytes. Simultaneous analysis of a sample for two or more targets is desirable in order to reduce the sample amount, save consumables, and save time. We show that different types of magnetic beads can be distinguished according to their frequency mixing response to a two-frequency magnetic excitation at different static magnetic offset fields. We recorded the offset field dependent FMMD response of two different particle types at frequencies ƒ₁ + n⋅ƒ₂, n = 1, 2, 3, 4 with ƒ₁ = 30.8 kHz and ƒ₂ = 63 Hz. Their signals were clearly distinguishable by the locations of the extremes and zeros of their responses. Binary mixtures of the two particle types were prepared with different mixing ratios. The mixture samples were analyzed by determining the best linear combination of the two pure constituents that best resembled the measured signals of the mixtures. Using a quadratic programming algorithm, the mixing ratios could be determined with an accuracy of greater than 14\%. If each particle type is functionalized with a different antibody, multiplex detection of two different analytes becomes feasible.}, language = {en} } @article{Staat2021, author = {Staat, Manfred}, title = {An extension strain type Mohr-Coulomb criterion}, series = {Rock mechanics and rock engineering}, volume = {54}, journal = {Rock mechanics and rock engineering}, number = {12}, publisher = {Springer Nature}, address = {Cham}, issn = {1434-453X}, doi = {10.1007/s00603-021-02608-7}, pages = {6207 -- 6233}, year = {2021}, abstract = {Extension fractures are typical for the deformation under low or no confining pressure. They can be explained by a phenomenological extension strain failure criterion. In the past, a simple empirical criterion for fracture initiation in brittle rock has been developed. In this article, it is shown that the simple extension strain criterion makes unrealistic strength predictions in biaxial compression and tension. To overcome this major limitation, a new extension strain criterion is proposed by adding a weighted principal shear component to the simple criterion. The shear weight is chosen, such that the enriched extension strain criterion represents the same failure surface as the Mohr-Coulomb (MC) criterion. Thus, the MC criterion has been derived as an extension strain criterion predicting extension failure modes, which are unexpected in the classical understanding of the failure of cohesive-frictional materials. In progressive damage of rock, the most likely fracture direction is orthogonal to the maximum extension strain leading to dilatancy. The enriched extension strain criterion is proposed as a threshold surface for crack initiation CI and crack damage CD and as a failure surface at peak stress CP. Different from compressive loading, tensile loading requires only a limited number of critical cracks to cause failure. Therefore, for tensile stresses, the failure criteria must be modified somehow, possibly by a cut-off corresponding to the CI stress. Examples show that the enriched extension strain criterion predicts much lower volumes of damaged rock mass compared to the simple extension strain criterion.}, language = {en} } @article{WeldenJablonskiWegeetal.2021, author = {Welden, Rene and Jablonski, Melanie and Wege, Christina and Keusgen, Michael and Wagner, Patrick Hermann and Wagner, Torsten and Sch{\"o}ning, Michael Josef}, title = {Light-Addressable Actuator-Sensor Platform for Monitoring and Manipulation of pH Gradients in Microfluidics: A Case Study with the Enzyme Penicillinase}, series = {Biosensors}, volume = {11}, journal = {Biosensors}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {2079-6374}, doi = {10.3390/bios11060171}, pages = {Artikel 171}, year = {2021}, abstract = {The feasibility of light-addressed detection and manipulation of pH gradients inside an electrochemical microfluidic cell was studied. Local pH changes, induced by a light-addressable electrode (LAE), were detected using a light-addressable potentiometric sensor (LAPS) with different measurement modes representing an actuator-sensor system. Biosensor functionality was examined depending on locally induced pH gradients with the help of the model enzyme penicillinase, which had been immobilized in the microfluidic channel. The surface morphology of the LAE and enzyme-functionalized LAPS was studied by scanning electron microscopy. Furthermore, the penicillin sensitivity of the LAPS inside the microfluidic channel was determined with regard to the analyte's pH influence on the enzymatic reaction rate. In a final experiment, the LAE-controlled pH inhibition of the enzyme activity was monitored by the LAPS.}, language = {en} } @article{AkimbekovDigelTastambeketal.2021, author = {Akimbekov, Nuraly S. and Digel, Ilya and Tastambek, Kuanysh T. and Sherelkhan, Dinara K. and Jussupova, Dariya B. and Altynbay, Nazym P.}, title = {Low-rank coal as a source of humic substances for soil amendment and fertility management}, series = {Agriculture}, volume = {11}, journal = {Agriculture}, number = {12}, publisher = {MDPI}, address = {Basel}, issn = {2077-0472}, doi = {10.3390/agriculture11121261}, pages = {25 Seiten}, year = {2021}, abstract = {Humic substances (HS), as important environmental components, are essential to soil health and agricultural sustainability. The usage of low-rank coal (LRC) for energy generation has declined considerably due to the growing popularity of renewable energy sources and gas. However, their potential as soil amendment aimed to maintain soil quality and productivity deserves more recognition. LRC, a highly heterogeneous material in nature, contains large quantities of HS and may effectively help to restore the physicochemical, biological, and ecological functionality of soil. Multiple emerging studies support the view that LRC and its derivatives can positively impact the soil microclimate, nutrient status, and organic matter turnover. Moreover, the phytotoxic effects of some pollutants can be reduced by subsequent LRC application. Broad geographical availability, relatively low cost, and good technical applicability of LRC offer the advantage of easy fulfilling soil amendment and conditioner requirements worldwide. This review analyzes and emphasizes the potential of LRC and its numerous forms/combinations for soil amelioration and crop production. A great benefit would be a systematic investment strategy implicating safe utilization and long-term application of LRC for sustainable agricultural production.}, language = {en} } @article{Kleefeld2021, author = {Kleefeld, Andreas}, title = {The hot spots conjecture can be false: some numerical examples}, series = {Advances in Computational Mathematics}, volume = {47}, journal = {Advances in Computational Mathematics}, publisher = {Springer}, address = {Dordrecht}, issn = {1019-7168}, doi = {10.1007/s10444-021-09911-5}, year = {2021}, abstract = {The hot spots conjecture is only known to be true for special geometries. This paper shows numerically that the hot spots conjecture can fail to be true for easy to construct bounded domains with one hole. The underlying eigenvalue problem for the Laplace equation with Neumann boundary condition is solved with boundary integral equations yielding a non-linear eigenvalue problem. Its discretization via the boundary element collocation method in combination with the algorithm by Beyn yields highly accurate results both for the first non-zero eigenvalue and its corresponding eigenfunction which is due to superconvergence. Additionally, it can be shown numerically that the ratio between the maximal/minimal value inside the domain and its maximal/minimal value on the boundary can be larger than 1 + 10- 3. Finally, numerical examples for easy to construct domains with up to five holes are provided which fail the hot spots conjecture as well.}, language = {en} } @article{AbbasBalcBremenetal.2022, author = {Abbas, Karim and Balc, Nicolae and Bremen, Sebastian and Skupin, Marco}, title = {Crystallization and aging behavior of polyetheretherketone PEEK within rapid tooling and rubber molding}, series = {Journal of Manufacturing and Materials Processing}, volume = {6}, journal = {Journal of Manufacturing and Materials Processing}, number = {5}, publisher = {MDPI}, address = {Basel}, issn = {2504-4494}, doi = {10.3390/jmmp6050093}, pages = {1 -- 12}, year = {2022}, abstract = {In times of short product life cycles, additive manufacturing and rapid tooling are important methods to make tool development and manufacturing more efficient. High-performance polymers are the key to mold production for prototypes and small series. However, the high temperatures during vulcanization injection molding cause thermal aging and can impair service life. The extent to which the thermal stress over the entire process chain stresses the material and whether it leads to irreversible material aging is evaluated. To this end, a mold made of PEEK is fabricated using fused filament fabrication and examined for its potential application. The mold is heated to 200 ◦C, filled with rubber, and cured. A differential scanning calorimetry analysis of each process step illustrates the crystallization behavior and first indicates the material resistance. It shows distinct cold crystallization regions at a build chamber temperature of 90 ◦C. At an ambient temperature above Tg, crystallization of 30\% is achieved, and cold crystallization no longer occurs. Additional tensile tests show a decrease in tensile strength after ten days of thermal aging. The steady decrease in recrystallization temperature indicates degradation of the additives. However, the tensile tests reveal steady embrittlement of the material due to increasing crosslinking.}, language = {en} } @article{FunkeBeckmann2022, author = {Funke, Harald and Beckmann, Nils}, title = {Flexible fuel operation of a Dry-Low-NOx Micromix Combustor with Variable Hydrogen Methane Mixture}, series = {International Journal of Gas Turbine, Propulsion and Power Systems}, volume = {13}, journal = {International Journal of Gas Turbine, Propulsion and Power Systems}, number = {2}, issn = {1882-5079}, pages = {1 -- 7}, year = {2022}, abstract = {The role of hydrogen (H2) as a carbon-free energy carrier is discussed since decades for reducing greenhouse gas emissions. As bridge technology towards a hydrogen-based energy supply, fuel mixtures of natural gas or methane (CH4) and hydrogen are possible. The paper presents the first test results of a low-emission Micromix combustor designed for flexible-fuel operation with variable H2/CH4 mixtures. The numerical and experimental approach for considering variable fuel mixtures instead of recently investigated pure hydrogen is described. In the experimental studies, a first generation FuelFlex Micromix combustor geometry is tested at atmospheric pressure at gas turbine operating conditions corresponding to part- and full-load. The H2/CH4 fuel mixture composition is varied between 57 and 100 vol.\% hydrogen content. Despite the challenges flexible-fuel operation poses onto the design of a combustion system, the evaluated FuelFlex Micromix prototype shows a significant low NOx performance}, language = {en} } @article{MarinkovicButenweg2022, author = {Marinkovic, Marko and Butenweg, Christoph}, title = {Numerical analysis of the in-plane behaviour of decoupled masonry infilled RC frames}, series = {Engineering Structures}, volume = {272}, journal = {Engineering Structures}, number = {1}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0141-0296}, doi = {10.1016/j.engstruct.2022.114959}, pages = {18 Seiten}, year = {2022}, abstract = {Damage of reinforced concrete (RC) frames with masonry infill walls has been observed after many earthquakes. Brittle behaviour of the masonry infills in combination with the ductile behaviour of the RC frames makes infill walls prone to damage during earthquakes. Interstory deformations lead to an interaction between the infill and the RC frame, which affects the structural response. The result of this interaction is significant damage to the infill wall and sometimes to the surrounding structural system too. In most design codes, infill walls are considered as non-structural elements and neglected in the design process, because taking into account the infills and considering the interaction between frame and infill in software packages can be complicated and impractical. A good way to avoid negative aspects arising from this behavior is to ensure no or low-interaction of the frame and infill wall, for instance by decoupling the infill from the frame. This paper presents the numerical study performed to investigate new connection system called INODIS (Innovative Decoupled Infill System) for decoupling infill walls from surrounding frame with the aim to postpone infill activation to high interstory drifts thus reducing infill/frame interaction and minimizing damage to both infills and frames. The experimental results are first used for calibration and validation of the numerical model, which is then employed for investigating the influence of the material parameters as well as infill's and frame's geometry on the in-plane behaviour of the infilled frames with the INODIS system. For all the investigated situations, simulation results show significant improvements in behaviour for decoupled infilled RC frames in comparison to the traditionally infilled frames.}, language = {en} } @article{RuebbelkeVoegeleGrajewskietal.2022, author = {R{\"u}bbelke, Dirk and V{\"o}gele, Stefan and Grajewski, Matthias and Zobel, Luzy}, title = {Hydrogen-based steel production and global climate protection: An empirical analysis of the potential role of a European cross border adjustment mechanism}, series = {Journal of Cleaner Production}, volume = {380}, journal = {Journal of Cleaner Production}, number = {Part 2, Art. Nr.:135040}, publisher = {Elsevier}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2022.135040}, year = {2022}, abstract = {The European Union's aim to become climate neutral by 2050 necessitates ambitious efforts to reduce carbon emissions. Large reductions can be attained particularly in energy intensive sectors like iron and steel. In order to prevent the relocation of such industries outside the EU in the course of tightening environmental regulations, the establishment of a climate club jointly with other large emitters and alternatively the unilateral implementation of an international cross-border carbon tax mechanism are proposed. This article focuses on the latter option choosing the steel sector as an example. In particular, we investigate the financial conditions under which a European cross border mechanism is capable to protect hydrogen-based steel production routes employed in Europe against more polluting competition from abroad. By using a floor price model, we assess the competitiveness of different steel production routes in selected countries. We evaluate the climate friendliness of steel production on the basis of specific GHG emissions. In addition, we utilize an input-output price model. It enables us to assess impacts of rising cost of steel production on commodities using steel as intermediates. Our results raise concerns that a cross-border tax mechanism will not suffice to bring about competitiveness of hydrogen-based steel production in Europe because the cost tends to remain higher than the cost of steel production in e.g. China. Steel is a classic example for a good used mainly as intermediate for other products. Therefore, a cross-border tax mechanism for steel will increase the price of products produced in the EU that require steel as an input. This can in turn adversely affect competitiveness of these sectors. Hence, the effects of higher steel costs on European exports should be borne in mind and could require the cross-border adjustment mechanism to also subsidize exports.}, language = {en} } @article{HoffmannRohrbachUhletal.2022, author = {Hoffmann, Andreas and Rohrbach, Felix and Uhl, Matthias and Ceblin, Maximilian and Bauer, Thomas and Mallah, Marcel and Jacob, Timo and Heuermann, Holger and Kuehne, Alexander J. C.}, title = {Atmospheric pressure plasma-jet treatment of polyacrylonitrile-nonwovens—Stabilization and roll-to-roll processing}, series = {Journal of Applied Polymer Science}, volume = {139}, journal = {Journal of Applied Polymer Science}, number = {37}, publisher = {Wiley}, issn = {0021-8995 (Print)}, doi = {10.1002/app.52887}, pages = {1 -- 9}, year = {2022}, abstract = {Carbon nanofiber nonwovens represent a powerful class of materials with prospective application in filtration technology or as electrodes with high surface area in batteries, fuel cells, and supercapacitors. While new precursor-to-carbon conversion processes have been explored to overcome productivity restrictions for carbon fiber tows, alternatives for the two-step thermal conversion of polyacrylonitrile precursors into carbon fiber nonwovens are absent. In this work, we develop a continuous roll-to-roll stabilization process using an atmospheric pressure microwave plasma jet. We explore the influence of various plasma-jet parameters on the morphology of the nonwoven and compare the stabilized nonwoven to thermally stabilized samples using scanning electron microscopy, differential scanning calorimetry, and infrared spectroscopy. We show that stabilization with a non-equilibrium plasma-jet can be twice as productive as the conventional thermal stabilization in a convection furnace, while producing electrodes of comparable electrochemical performance.}, language = {en} } @article{DefosseKleinschmidtSchmutzetal.2022, author = {Defosse, Jerome and Kleinschmidt, Joris and Schmutz, Axel and Loop, Torsten and Staat, Manfred and Gatzweiler, Karl-Heinz and Wappler, Frank and Schieren, Mark}, title = {Dental strain on maxillary incisors during tracheal intubation with double-lumen tubes and different laryngoscopy techniques - a blinded manikin study}, series = {Journal of Cardiothoracic and Vascular Anesthesia}, volume = {36}, journal = {Journal of Cardiothoracic and Vascular Anesthesia}, number = {8, Part B}, publisher = {Elsevier}, address = {New York, NY}, issn = {1053-0770}, doi = {10.1053/j.jvca.2022.02.017}, pages = {3021 -- 3027}, year = {2022}, language = {en} } @article{RossiWinandsButenweg2022, author = {Rossi, Leonardo and Winands, Mark H. M. and Butenweg, Christoph}, title = {Monte Carlo Tree Search as an intelligent search tool in structural design problems}, series = {Engineering with Computers : An International Journal for Simulation-Based Engineering}, volume = {38}, journal = {Engineering with Computers : An International Journal for Simulation-Based Engineering}, number = {4}, editor = {Zhang, Jessica}, publisher = {Springer Nature}, address = {Cham}, issn = {1435-5663}, doi = {10.1007/s00366-021-01338-2}, pages = {3219 -- 3236}, year = {2022}, abstract = {Monte Carlo Tree Search (MCTS) is a search technique that in the last decade emerged as a major breakthrough for Artificial Intelligence applications regarding board- and video-games. In 2016, AlphaGo, an MCTS-based software agent, outperformed the human world champion of the board game Go. This game was for long considered almost infeasible for machines, due to its immense search space and the need for a long-term strategy. Since this historical success, MCTS is considered as an effective new approach for many other scientific and technical problems. Interestingly, civil structural engineering, as a discipline, offers many tasks whose solution may benefit from intelligent search and in particular from adopting MCTS as a search tool. In this work, we show how MCTS can be adapted to search for suitable solutions of a structural engineering design problem. The problem consists of choosing the load-bearing elements in a reference reinforced concrete structure, so to achieve a set of specific dynamic characteristics. In the paper, we report the results obtained by applying both a plain and a hybrid version of single-agent MCTS. The hybrid approach consists of an integration of both MCTS and classic Genetic Algorithm (GA), the latter also serving as a term of comparison for the results. The study's outcomes may open new perspectives for the adoption of MCTS as a design tool for civil engineers.}, language = {en} } @article{ValeroBungErpicumetal.2022, author = {Valero, Daniel and Bung, Daniel Bernhard and Erpicum, Sebastien and Peltier, Yann and Dewals, Benjamin}, title = {Unsteady shallow meandering flows in rectangular reservoirs: a modal analysis of URANS modelling}, series = {Journal of Hydro-environment Research}, journal = {Journal of Hydro-environment Research}, number = {In Press}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1570-6443}, doi = {10.1016/j.jher.2022.03.002}, year = {2022}, abstract = {Shallow flows are common in natural and human-made environments. Even for simple rectangular shallow reservoirs, recent laboratory experiments show that the developing flow fields are particularly complex, involving large-scale turbulent structures. For specific combinations of reservoir size and hydraulic conditions, a meandering jet can be observed. While some aspects of this pseudo-2D flow pattern can be reproduced using a 2D numerical model, new 3D simulations, based on the unsteady Reynolds-Averaged Navier-Stokes equations, show consistent advantages as presented herein. A Proper Orthogonal Decomposition was used to characterize the four most energetic modes of the meandering jet at the free surface level, allowing comparison against experimental data and 2D (depth-averaged) numerical results. Three different isotropic eddy viscosity models (RNG k-ε, k-ε, k-ω) were tested. The 3D models accurately predicted the frequency of the modes, whereas the amplitudes of the modes and associated energy were damped for the friction-dominant cases and augmented for non-frictional ones. The performance of the three turbulence models remained essentially similar, with slightly better predictions by RNG k-ε model in the case with the highest Reynolds number. Finally, the Q-criterion was used to identify vortices and study their dynamics, assisting on the identification of the differences between: i) the three-dimensional phenomenon (here reproduced), ii) its two-dimensional footprint in the free surface (experimental observations) and iii) the depth-averaged case (represented by 2D models).}, language = {en} } @article{CheenakulaHoffstadtKrafftetal.2022, author = {Cheenakula, Dheeraja and Hoffstadt, Kevin and Krafft, Simone and Reinecke, Diana and Klose, Holger and Kuperjans, Isabel and Gr{\"o}mping, Markus}, title = {Anaerobic digestion of algal-bacterial biomass of an Algal Turf Scrubber system}, series = {Biomass Conversion and Biorefinery}, volume = {13}, journal = {Biomass Conversion and Biorefinery}, publisher = {Springer}, address = {Berlin}, issn = {2190-6823}, doi = {10.1007/s13399-022-03236-z}, pages = {15 Seiten}, year = {2022}, abstract = {This study investigated the anaerobic digestion of an algal-bacterial biofilm grown in artificial wastewater in an Algal Turf Scrubber (ATS). The ATS system was located in a greenhouse (50°54′19ʺN, 6°24′55ʺE, Germany) and was exposed to seasonal conditions during the experiment period. The methane (CH4) potential of untreated algal-bacterial biofilm (UAB) and thermally pretreated biofilm (PAB) using different microbial inocula was determined by anaerobic batch fermentation. Methane productivity of UAB differed significantly between microbial inocula of digested wastepaper, a mixture of manure and maize silage, anaerobic sewage sludge, and percolated green waste. UAB using sewage sludge as inoculum showed the highest methane productivity. The share of methane in biogas was dependent on inoculum. Using PAB, a strong positive impact on methane productivity was identified for the digested wastepaper (116.4\%) and a mixture of manure and maize silage (107.4\%) inocula. By contrast, the methane yield was significantly reduced for the digested anaerobic sewage sludge (50.6\%) and percolated green waste (43.5\%) inocula. To further evaluate the potential of algal-bacterial biofilm for biogas production in wastewater treatment and biogas plants in a circular bioeconomy, scale-up calculations were conducted. It was found that a 0.116 km2 ATS would be required in an average municipal wastewater treatment plant which can be viewed as problematic in terms of space consumption. However, a substantial amount of energy surplus (4.7-12.5 MWh a-1) can be gained through the addition of algal-bacterial biomass to the anaerobic digester of a municipal wastewater treatment plant. Wastewater treatment and subsequent energy production through algae show dominancy over conventional technologies.}, language = {en} }