@misc{VarrialeKukaTippkoetteretal.2022, author = {Varriale, Ludovica and Kuka, Katrin and Tippk{\"o}tter, Nils and Ulber, Roland}, title = {Use of a green biomass in a biorefinery platform}, series = {Chemie Ingenieur Technik}, volume = {94}, journal = {Chemie Ingenieur Technik}, number = {9}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {0009-286X}, doi = {10.1002/cite.202255095}, pages = {1299}, year = {2022}, abstract = {The emerging environmental issues due to the use of fossil resources are encouraging the exploration of new renewable resources. Biomasses are attracting more interest due to the low environmental impacts, low costs, and high availability on earth. In this scenario, green biorefineries are a promising platform in which green biomasses are used as feedstock. Grasses are mainly composed of cellulose and hemicellulose, and lignin is available in a small amount. In this work, a perennial ryegrass was used as feedstock to develop a green bio-refinery platform. Firstly, the grass was mechanically pretreated, thus obtaining a press juice and a press cake fraction. The press juice has high nutritional values and can be employed as part of fermentation media. The press cake can be employed as a substrate either in enzymatic hydrolysis or in solid-state fermentation. The overall aim of this work was to demonstrate different applications of both the liquid and the solid fractions. For this purpose, the filamentous fungus A. niger and the yeast Y. lipolythica were selected for their ability to produce citric acid. Finally, the possibility was assessed to use the press juice as part of fermentation media to cultivate S. cerevisiae and lactic acid bacteria for ethanol and lactic acid fermentation.}, language = {en} } @article{HoffmannUhlCeblinetal.2022, author = {Hoffmann, Andreas and Uhl, Matthias and Ceblin, Maximilian and Rohrbach, Felix and Bansmann, Joachim and Mallah, Marcel and Heuermann, Holger and Jacob, Timo and Kuehne, Alexander J.C.}, title = {Atmospheric pressure plasma-jet treatment of PAN-nonwovens—carbonization of nanofiber electrodes}, series = {C - Journal of Carbon Research}, volume = {8}, journal = {C - Journal of Carbon Research}, number = {3}, publisher = {MDPI}, address = {Basel}, issn = {2311-5629}, doi = {10.3390/c8030033}, pages = {8 Seiten}, year = {2022}, abstract = {Carbon nanofibers are produced from dielectric polymer precursors such as polyacrylonitrile (PAN). Carbonized nanofiber nonwovens show high surface area and good electrical conductivity, rendering these fiber materials interesting for application as electrodes in batteries, fuel cells, and supercapacitors. However, thermal processing is slow and costly, which is why new processing techniques have been explored for carbon fiber tows. Alternatives for the conversion of PAN-precursors into carbon fiber nonwovens are scarce. Here, we utilize an atmospheric pressure plasma jet to conduct carbonization of stabilized PAN nanofiber nonwovens. We explore the influence of various processing parameters on the conductivity and degree of carbonization of the converted nanofiber material. The precursor fibers are converted by plasma-jet treatment to carbon fiber nonwovens within seconds, by which they develop a rough surface making subsequent surface activation processes obsolete. The resulting carbon nanofiber nonwovens are applied as supercapacitor electrodes and examined by cyclic voltammetry and impedance spectroscopy. Nonwovens that are carbonized within 60 s show capacitances of up to 5 F g⁻¹.}, language = {en} } @article{MuellerSeginWeigandetal.2022, author = {Mueller, Tobias and Segin, Alexander and Weigand, Christoph and Schmitt, Robert H.}, title = {Feature selection for measurement models}, series = {International journal of quality \& reliability management}, journal = {International journal of quality \& reliability management}, number = {Vol. ahead-of-print, No. ahead-of-print.}, publisher = {Emerald Group Publishing Limited}, address = {Bingley}, issn = {0265-671X}, doi = {10.1108/IJQRM-07-2021-0245}, year = {2022}, abstract = {Purpose In the determination of the measurement uncertainty, the GUM procedure requires the building of a measurement model that establishes a functional relationship between the measurand and all influencing quantities. Since the effort of modelling as well as quantifying the measurement uncertainties depend on the number of influencing quantities considered, the aim of this study is to determine relevant influencing quantities and to remove irrelevant ones from the dataset. Design/methodology/approach In this work, it was investigated whether the effort of modelling for the determination of measurement uncertainty can be reduced by the use of feature selection (FS) methods. For this purpose, 9 different FS methods were tested on 16 artificial test datasets, whose properties (number of data points, number of features, complexity, features with low influence and redundant features) were varied via a design of experiments. Findings Based on a success metric, the stability, universality and complexity of the method, two FS methods could be identified that reliably identify relevant and irrelevant influencing quantities for a measurement model. Originality/value For the first time, FS methods were applied to datasets with properties of classical measurement processes. The simulation-based results serve as a basis for further research in the field of FS for measurement models. The identified algorithms will be applied to real measurement processes in the future.}, language = {en} } @article{GaigallGerstenbergTrinh2022, author = {Gaigall, Daniel and Gerstenberg, Julian and Trinh, Thi Thu Ha}, title = {Empirical process of concomitants for partly categorial data and applications in statistics}, series = {Bernoulli}, volume = {28}, journal = {Bernoulli}, number = {2}, publisher = {International Statistical Institute}, address = {Den Haag, NL}, issn = {1573-9759}, doi = {10.3150/21-BEJ1367}, pages = {803 -- 829}, year = {2022}, abstract = {On the basis of independent and identically distributed bivariate random vectors, where the components are categorial and continuous variables, respectively, the related concomitants, also called induced order statistic, are considered. The main theoretical result is a functional central limit theorem for the empirical process of the concomitants in a triangular array setting. A natural application is hypothesis testing. An independence test and a two-sample test are investigated in detail. The fairly general setting enables limit results under local alternatives and bootstrap samples. For the comparison with existing tests from the literature simulation studies are conducted. The empirical results obtained confirm the theoretical findings.}, language = {en} } @article{FunkeEschRoosen2022, author = {Funke, Harald and Esch, Thomas and Roosen, Petra}, title = {Powertrain Adaptions for LPG Usage in General Aviation}, series = {MTZ worldwide}, volume = {2022}, journal = {MTZ worldwide}, number = {83}, publisher = {Springer Nature}, address = {Basel}, doi = {10.1007/s38313-021-0756-6}, pages = {58 -- 62}, year = {2022}, abstract = {In general aviation, too, it is desirable to be able to operate existing internal combustion engines with fuels that produce less CO₂ than Avgas 100LL being widely used today It can be assumed that, in comparison, the fuels CNG, LPG or LNG, which are gaseous under normal conditions, produce significantly lower emissions. Necessary propulsion system adaptations were investigated as part of a research project at Aachen University of Applied Sciences.}, language = {en} } @article{DitzhausGaigall2022, author = {Ditzhaus, Marc and Gaigall, Daniel}, title = {Testing marginal homogeneity in Hilbert spaces with applications to stock market returns}, series = {Test}, volume = {2022}, journal = {Test}, number = {31}, publisher = {Springer}, issn = {1863-8260}, doi = {10.1007/s11749-022-00802-5}, pages = {749 -- 770}, year = {2022}, abstract = {This paper considers a paired data framework and discusses the question of marginal homogeneity of bivariate high-dimensional or functional data. The related testing problem can be endowed into a more general setting for paired random variables taking values in a general Hilbert space. To address this problem, a Cram{\´e}r-von-Mises type test statistic is applied and a bootstrap procedure is suggested to obtain critical values and finally a consistent test. The desired properties of a bootstrap test can be derived that are asymptotic exactness under the null hypothesis and consistency under alternatives. Simulations show the quality of the test in the finite sample case. A possible application is the comparison of two possibly dependent stock market returns based on functional data. The approach is demonstrated based on historical data for different stock market indices.}, language = {en} } @article{ZhantlessovaSavitskayaKistaubayevaetal.2022, author = {Zhantlessova, Sirina and Savitskaya, Irina and Kistaubayeva, Aida and Ignatova, Ludmila and Talipova, Aizhan and Pogrebnjak, Alexander and Digel, Ilya}, title = {Advanced "Green" prebiotic composite of bacterial cellulose/pullulan based on synthetic biology-powered microbial coculture strategy}, series = {Polymers}, volume = {14}, journal = {Polymers}, number = {15}, publisher = {MDPI}, address = {Basel}, issn = {2073-4360}, doi = {10.3390/polym14153224}, pages = {Artikel 3224}, year = {2022}, abstract = {Bacterial cellulose (BC) is a biopolymer produced by different microorganisms, but in biotechnological practice, Komagataeibacter xylinus is used. The micro- and nanofibrillar structure of BC, which forms many different-sized pores, creates prerequisites for the introduction of other polymers into it, including those synthesized by other microorganisms. The study aims to develop a cocultivation system of BC and prebiotic producers to obtain BC-based composite material with prebiotic activity. In this study, pullulan (PUL) was found to stimulate the growth of the probiotic strain Lactobacillus rhamnosus GG better than the other microbial polysaccharides gellan and xanthan. BC/PUL biocomposite with prebiotic properties was obtained by cocultivation of Komagataeibacter xylinus and Aureobasidium pullulans, BC and PUL producers respectively, on molasses medium. The inclusion of PUL in BC is proved gravimetrically by scanning electron microscopy and by Fourier transformed infrared spectroscopy. Cocultivation demonstrated a composite effect on the aggregation and binding of BC fibers, which led to a significant improvement in mechanical properties. The developed approach for "grafting" of prebiotic activity on BC allows preparation of environmentally friendly composites of better quality.}, language = {en} } @incollection{HoffschmidtAlexopoulosRauetal.2022, 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, B. and Chico Caminos, Ricardo Alexander and Rend{\´o}n, C. and Hilger, P.}, title = {Concentrating solar power}, series = {Comprehensive Renewable Energy (Second Edition) / Volume 3: Solar Thermal Systems: Components and Applications}, booktitle = {Comprehensive Renewable Energy (Second Edition) / Volume 3: Solar Thermal Systems: Components and Applications}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {978-0-12-819734-9}, pages = {670 -- 724}, year = {2022}, abstract = {The focus of this chapter is the production of power and the use of the heat produced from concentrated solar thermal power (CSP) systems. The chapter starts with the general theoretical principles of concentrating systems including the description of the concentration ratio, the energy and mass balance. The power conversion systems is the main part where solar-only operation and the increase in operational hours. Solar-only operation include the use of steam turbines, gas turbines, organic Rankine cycles and solar dishes. The operational hours can be increased with hybridization and with storage. Another important topic is the cogeneration where solar cooling, desalination and of heat usage is described. Many examples of commercial CSP power plants as well as research facilities from the past as well as current installed and in operation are described in detail. The chapter closes with economic and environmental aspects and with the future potential of the development of CSP around the world.}, language = {en} } @incollection{BraunerVervierBrillowskietal.2022, author = {Brauner, Philipp and Vervier, Luisa and Brillowski, Florian and Dammers, Hannah and Steuer-Dankert, Linda and Schneider, Sebastian and Baier, Ralph and Ziefle, Martina and Gries, Thomas and Leicht-Scholten, Carmen and Mertens, Alexander and Nagel, Saskia K.}, title = {Organization Routines in Next Generation Manufacturing}, series = {Forecasting Next Generation Manufacturing}, booktitle = {Forecasting Next Generation Manufacturing}, publisher = {Springer}, address = {Cham}, isbn = {978-3-031-07734-0}, doi = {10.1007/978-3-031-07734-0_5}, pages = {75 -- 94}, year = {2022}, abstract = {Next Generation Manufacturing promises significant improvements in performance, productivity, and value creation. In addition to the desired and projected improvements regarding the planning, production, and usage cycles of products, this digital transformation will have a huge impact on work, workers, and workplace design. Given the high uncertainty in the likelihood of occurrence and the technical, economic, and societal impacts of these changes, we conducted a technology foresight study, in the form of a real-time Delphi analysis, to derive reliable future scenarios featuring the next generation of manufacturing systems. This chapter presents the organization dimension and describes each projection in detail, offering current case study examples and discussing related research, as well as implications for policy makers and firms. Specifically, we highlight seven areas in which the digital transformation of production will change how we work, how we organize the work within a company, how we evaluate these changes, and how employment and labor rights will be affected across company boundaries. The experts are unsure whether the use of collaborative robots in factories will replace traditional robots by 2030. They believe that the use of hybrid intelligence will supplement human decision-making processes in production environments. Furthermore, they predict that artificial intelligence will lead to changes in management processes, leadership, and the elimination of hierarchies. However, to ensure that social and normative aspects are incorporated into the AI algorithms, restricting measurement of individual performance will be necessary. Additionally, AI-based decision support can significantly contribute toward new, socially accepted modes of leadership. Finally, the experts believe that there will be a reduction in the workforce by the year 2030.}, language = {en} } @article{LindnerBurgerRutledgeetal.2022, author = {Lindner, Simon and Burger, Ren{\´e} and Rutledge, Douglas N. and Do, Xuan Tung and Rumpf, Jessica and Diehl, Bernd W. K. and Schulze, Margit and Monakhova, Yulia}, title = {Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight}, series = {Analytical chemistry}, volume = {94}, journal = {Analytical chemistry}, number = {9}, publisher = {ACS Publications}, address = {Washington, DC}, isbn = {1520-6882}, doi = {10.1021/acs.analchem.1c05125}, pages = {3997 -- 4004}, year = {2022}, abstract = {Although several successful applications of benchtop nuclear magnetic resonance (NMR) spectroscopy in quantitative mixture analysis exist, the possibility of calibration transfer remains mostly unexplored, especially between high- and low-field NMR. This study investigates for the first time the calibration transfer of partial least squares regressions [weight average molecular weight (Mw) of lignin] between high-field (600 MHz) NMR and benchtop NMR devices (43 and 60 MHz). For the transfer, piecewise direct standardization, calibration transfer based on canonical correlation analysis, and transfer via the extreme learning machine auto-encoder method are employed. Despite the immense resolution difference between high-field and low-field NMR instruments, the results demonstrate that the calibration transfer from high- to low-field is feasible in the case of a physical property, namely, the molecular weight, achieving validation errors close to the original calibration (down to only 1.2 times higher root mean square errors). These results introduce new perspectives for applications of benchtop NMR, in which existing calibrations from expensive high-field instruments can be transferred to cheaper benchtop instruments to economize.}, language = {en} } @inproceedings{Gaigall2022, author = {Gaigall, Daniel}, title = {On Consistent Hypothesis Testing In General Hilbert Spaces}, series = {Proceedings of the 4th International Conference on Statistics: Theory and Applications (ICSTA'22)}, booktitle = {Proceedings of the 4th International Conference on Statistics: Theory and Applications (ICSTA'22)}, publisher = {Avestia Publishing}, address = {Orl{\´e}ans, Kanada}, doi = {10.11159/icsta22.157}, pages = {Paper No. 157}, year = {2022}, abstract = {Inference on the basis of high-dimensional and functional data are two topics which are discussed frequently in the current statistical literature. A possibility to include both topics in a single approach is working on a very general space for the underlying observations, such as a separable Hilbert space. We propose a general method for consistently hypothesis testing on the basis of random variables with values in separable Hilbert spaces. We avoid concerns with the curse of dimensionality due to a projection idea. We apply well-known test statistics from nonparametric inference to the projected data and integrate over all projections from a specific set and with respect to suitable probability measures. In contrast to classical methods, which are applicable for real-valued random variables or random vectors of dimensions lower than the sample size, the tests can be applied to random vectors of dimensions larger than the sample size or even to functional and high-dimensional data. In general, resampling procedures such as bootstrap or permutation are suitable to determine critical values. The idea can be extended to the case of incomplete observations. Moreover, we develop an efficient algorithm for implementing the method. Examples are given for testing goodness-of-fit in a one-sample situation in [1] or for testing marginal homogeneity on the basis of a paired sample in [2]. Here, the test statistics in use can be seen as generalizations of the well-known Cram{\´e}rvon-Mises test statistics in the one-sample and two-samples case. The treatment of other testing problems is possible as well. By using the theory of U-statistics, for instance, asymptotic null distributions of the test statistics are obtained as the sample size tends to infinity. Standard continuity assumptions ensure the asymptotic exactness of the tests under the null hypothesis and that the tests detect any alternative in the limit. Simulation studies demonstrate size and power of the tests in the finite sample case, confirm the theoretical findings, and are used for the comparison with concurring procedures. A possible application of the general approach is inference for stock market returns, also in high data frequencies. In the field of empirical finance, statistical inference of stock market prices usually takes place on the basis of related log-returns as data. In the classical models for stock prices, i.e., the exponential L{\´e}vy model, Black-Scholes model, and Merton model, properties such as independence and stationarity of the increments ensure an independent and identically structure of the data. Specific trends during certain periods of the stock price processes can cause complications in this regard. In fact, our approach can compensate those effects by the treatment of the log-returns as random vectors or even as functional data.}, language = {en} } @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} }