@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} } @inproceedings{SattlerSchneiderAngeleetal.2022, author = {Sattler, Johannes Christoph and Schneider, Iesse Peer and Angele, Florian and Atti, Vikrama Naga Babu and Teixeira Boura, Cristiano Jos{\´e} and Herrmann, Ulf}, title = {Development of heliostat field calibration methods: Theory and experimental test results}, series = {SolarPACES 2022 conference proceedings}, booktitle = {SolarPACES 2022 conference proceedings}, number = {1}, publisher = {TIB Open Publishing}, address = {Hannover}, issn = {2751-9899 (online)}, doi = {10.52825/solarpaces.v1i.678}, pages = {9 Seiten}, year = {2022}, abstract = {In this work, three patent pending calibration methods for heliostat fields of central receiver systems (CRS) developed by the Solar-Institut J{\"u}lich (SIJ) of the FH Aachen University of Applied Sciences are presented. The calibration methods can either operate in a combined mode or in stand-alone mode. The first calibration method, method A, foresees that a camera matrix is placed into the receiver plane where it is subjected to concentrated solar irradiance during a measurement process. The second calibration method, method B, uses an unmanned aerial vehicle (UAV) such as a quadrocopter to automatically fly into the reflected solar irradiance cross-section of one or more heliostats (two variants of method B were tested). The third calibration method, method C, foresees a stereo central camera or multiple stereo cameras installed e.g. on the solar tower whereby the orientations of the heliostats are calculated from the location detection of spherical red markers attached to the heliostats. The most accurate method is method A which has a mean accuracy of 0.17 mrad. The mean accuracy of method B variant 1 is 1.36 mrad and of variant 2 is 1.73 mrad. Method C has a mean accuracy of 15.07 mrad. For method B there is great potential regarding improving the measurement accuracy. For method C the collected data was not sufficient for determining whether or not there is potential for improving the accuracy.}, language = {en} } @inproceedings{MorandiButenwegBreisetal.2022, author = {Morandi, Paolo and Butenweg, Christoph and Breis, Khaled and Beyer, Katrin and Magenes, Guido}, title = {Behaviour factor q for the seismic design of URM buildings}, series = {The Third European Conference on Earthquake Engineering and Seismology}, booktitle = {The Third European Conference on Earthquake Engineering and Seismology}, editor = {Arion, Cristian and Scupin, Alexandra and Ţigănescu, Alexandru}, isbn = {978-973-100-533-1}, pages = {1184 -- 1194}, year = {2022}, abstract = {Recent earthquakes showed that low-rise URM buildings following codecompliant seismic design and details behaved in general very well without substantial damages. Although advances in simulation tools make nonlinear calculation methods more readily accessible to designers, linear analyses will still be the standard design method for years to come. The present paper aims to improve the linear seismic design method by providing a proper definition of the q-factor of URM buildings. Values of q-factors are derived for low-rise URM buildings with rigid diaphragms, with reference to modern structural configurations realized in low to moderate seismic areas of Italy and Germany. The behaviour factor components for deformation and energy dissipation capacity and for overstrength due to the redistribution of forces are derived by means of pushover analyses. As a result of the investigations, rationally based values of the behaviour factor q to be used in linear analyses in the range of 2.0 to 3.0 are proposed.}, language = {en} } @inproceedings{ChicoCaminosSchmitzAttietal.2022, author = {Chico Caminos, Ricardo Alexander and Schmitz, Pascal and Atti, Vikrama Naga Babu and Mahdi, Zahra and Teixeira Boura, Cristiano Jos{\´e} and Sattler, Johannes Christoph and Herrmann, Ulf and Hilger, Patrick and Dieckmann, Simon}, title = {Development of a micro heliostat and optical qualification assessment with a 3D laser scanning method}, series = {SOLARPACES 2020}, booktitle = {SOLARPACES 2020}, number = {2445 / 1}, publisher = {AIP conference proceedings / American Institute of Physics}, address = {Melville, NY}, isbn = {978-0-7354-4195-8}, issn = {1551-7616 (online)}, doi = {10.1063/5.0086262}, pages = {8 Seiten}, year = {2022}, abstract = {The Solar-Institut J{\"u}lich (SIJ) and the companies Hilger GmbH and Heliokon GmbH from Germany have developed a small-scale cost-effective heliostat, called "micro heliostat". Micro heliostats can be deployed in small-scale concentrated solar power (CSP) plants to concentrate the sun's radiation for electricity generation, space or domestic water heating or industrial process heat. In contrast to conventional heliostats, the special feature of a micro heliostat is that it consists of dozens of parallel-moving, interconnected, rotatable mirror facets. The mirror facets array is fixed inside a box-shaped module and is protected from weathering and wind forces by a transparent glass cover. The choice of the building materials for the box, tracking mechanism and mirrors is largely dependent on the selected production process and the intended application of the micro heliostat. Special attention was paid to the material of the tracking mechanism as this has a direct influence on the accuracy of the micro heliostat. The choice of materials for the mirror support structure and the tracking mechanism is made in favor of plastic molded parts. A qualification assessment method has been developed by the SIJ in which a 3D laser scanner is used in combination with a coordinate measuring machine (CMM). For the validation of this assessment method, a single mirror facet was scanned and the slope deviation was computed.}, language = {en} } @inproceedings{ZaehlBiewendtWolfetal.2022, author = {Z{\"a}hl, Philipp M. and Biewendt, Marcel and Wolf, Martin R. and Eggert, Mathias}, title = {Requirements for competence developing games in the environment of SE Competence Development}, series = {AKWI-Tagungsband zur 35. AKWI-Jahrestagung}, booktitle = {AKWI-Tagungsband zur 35. AKWI-Jahrestagung}, publisher = {GITO}, address = {Berlin}, isbn = {978-3-95545-409-8}, doi = {10.30844/AKWI_2022_05}, pages = {73 -- 88}, year = {2022}, abstract = {Many of today's factors make software development more and more complex, such as time pressure, new technologies, IT security risks, et cetera. Thus, a good preparation of current as well as future software developers in terms of a good software engineering education becomes progressively important. As current research shows, Competence Developing Games (CDGs) and Serious Games can offer a potential solution. This paper identifies the necessary requirements for CDGs to be conducive in principle, but especially in software engineering (SE) education. For this purpose, the current state of research was summarized in the context of a literature review. Afterwards, some of the identified requirements as well as some additional requirements were evaluated by a survey in terms of subjective relevance.}, 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} } @incollection{EbertSchneiderStapenhorst2022, author = {Ebert, Carola and Schneider, Tatjana and Stapenhorst, Carolin}, title = {Undergraduate Research in Architecture}, series = {The Cambridge Handbook of Undergraduate Research}, booktitle = {The Cambridge Handbook of Undergraduate Research}, editor = {Mieg, Harald A. and Ambos, Elizabeth and Brew, Angela and Galli, Dominique and Lehmann, Judith}, publisher = {Cambridge University Press}, address = {Cambridge}, isbn = {9781108869508}, doi = {10.1017/9781108869508.049}, pages = {355 -- 362}, year = {2022}, abstract = {Architecture is a university subject with educational roots in both the technical university and art/specialized architecture schools, yet it lacks a strong research orientation and is focused on professional expertise. This chapter explores the particular role of research within architectural education in general by discussing two different cases for the implementation of undergraduate research in architecture: during the late 1990s and early 2000s at the University of Sheffield, UK, and during the 2010s at RWTH Aachen University, Germany. These examples illustrate the asynchronous beginnings of similar developments, and also contextualize differences in disciplinary habitus and pedagogical approaches between Sheffield, where research impulses stemmed from within the Architectural Humanities, and Aachen with its strong tradition as a technical university.}, language = {en} }