TY - CHAP A1 - Mertens, Alexander A1 - Brauner, Philipp A1 - Baier, Ralph A1 - Brillowski, Florian A1 - Dammers, Hannah A1 - van Dyck, Marc A1 - Kong, Iris A1 - Königs, Peter A1 - Kordtomeikel, Frauke A1 - Liehner, Gian Luca A1 - Pütz, Sebastian A1 - Rodermann, Niklas A1 - Schaar, Anne Kathrin A1 - Steuer-Dankert, Linda A1 - Vervier, Luisa A1 - Wlecke, Shari A1 - Gries, Thomas A1 - Leicht-Scholten, Carmen A1 - Nagel, Saskia K. A1 - Piller, Frank T. A1 - Schuh, Günther A1 - Ziefle, Martina A1 - Nitsch, Verena ED - Michael, Judith ED - Pfeiffer, Jérôme ED - Wortmann, Andreas T1 - Modelling Human Factors in Cyber Physical Production Systems by the Integration of Human Digital Shadows T2 - Modellierung 2022 Satellite Events N2 - The future of industrial manufacturing and production will increasingly manifest in the form of cyber-physical production systems. Here, Digital Shadows will act as mediators between the physical and digital world to model and operationalize the interactions and relationships between different entities in production systems. Until now, the associated concepts have been primarily pursued and implemented from a technocentric perspective, in which human actors play a subordinate role, if they are considered at all. This paper outlines an anthropocentric approach that explicitly considers the characteristics, behavior, and traits and states of human actors in socio-technical production systems. For this purpose, we discuss the potentials and the expected challenges and threats of creating and using Human Digital Shadows in production. KW - human digital shadow KW - cyber physical production system KW - human factors Y1 - 2022 U6 - https://doi.org/10.18420/modellierung2022ws-018 N1 - Modellierung 2022, 27. Juni - 01. Juli 2022, Hamburg, Deutschland SP - 147 EP - 149 PB - GI Gesellschaft für Informatik CY - Bonn ER - TY - CHAP A1 - Brauner, Philipp A1 - Vervier, Luisa A1 - Brillowski, Florian A1 - Dammers, Hannah A1 - Steuer-Dankert, Linda A1 - Schneider, Sebastian A1 - Baier, Ralph A1 - Ziefle, Martina A1 - Gries, Thomas A1 - Leicht-Scholten, Carmen A1 - Mertens, Alexander A1 - Nagel, Saskia K. T1 - Organization Routines in Next Generation Manufacturing T2 - Forecasting Next Generation Manufacturing N2 - 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. Y1 - 2022 SN - 978-3-031-07734-0 U6 - https://doi.org/10.1007/978-3-031-07734-0_5 SP - 75 EP - 94 PB - Springer CY - Cham ER - TY - JOUR A1 - Pourshahidi, Ali Mohammad A1 - Engelmann, Ulrich M. A1 - Offenhäusser, Andreas A1 - Krause, Hans-Joachim T1 - Resolving ambiguities in core size determination of magnetic nanoparticles from magnetic frequency mixing data JF - Journal of Magnetism and Magnetic Materials N2 - 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. Y1 - 2022 U6 - https://doi.org/10.1016/j.jmmm.2022.169969 SN - 0304-8853 VL - 563 IS - In progress, Art. No. 169969 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Engelmann, Ulrich M. A1 - Pourshahidi, Mohammad Ali A1 - Shalaby, Ahmed A1 - Krause, Hans-Joachim T1 - Probing particle size dependency of frequency mixing magnetic detection with dynamic relaxation simulation JF - Journal of Magnetism and Magnetic Materials N2 - Biomedical applications of magnetic nanoparticles (MNP) fundamentally rely on the particles’ magnetic relaxation as a response to an alternating magnetic field. The magnetic relaxation complexly depends on the interplay of MNP magnetic and physical properties with the applied field parameters. It is commonly accepted that particle core size is a major contributor to signal generation in all the above applications, however, most MNP samples comprise broad distribution spanning nm and more. Therefore, precise knowledge of the exact contribution of individual core sizes to signal generation is desired for optimal MNP design generally for each application. Specifically, we present a magnetic relaxation simulation-driven analysis of experimental frequency mixing magnetic detection (FMMD) for biosensing to quantify the contributions of individual core size fractions towards signal generation. Applying our method to two different experimental MNP systems, we found the most dominant contributions from approx. 20 nm sized particles in the two independent MNP systems. Additional comparison between freely suspended and immobilized MNP also reveals insight in the MNP microstructure, allowing to use FMMD for MNP characterization, as well as to further fine-tune its applicability in biosensing. Y1 - 2022 U6 - https://doi.org/10.1016/j.jmmm.2022.169965 SN - 0304-8853 VL - 563 IS - In progress, Art. No. 169965 PB - Elsevier CY - Amsterdam ER - TY - CHAP A1 - Allal, D. A1 - Bannister, R. A1 - Buisman, K. A1 - Capriglione, D. A1 - Di Capua, G. A1 - García-Patrón, M. A1 - Gatzweiler, Thomas A1 - Gellersen, F. A1 - Harzheim, Thomas A1 - Heuermann, Holger A1 - Hoffmann, J. A1 - Izbrodin, A. A1 - Kuhlmann, K. A1 - Lahbacha, K. A1 - Maffucci, A. A1 - Miele, G. A1 - Mubarak, F. A1 - Salter, M. A1 - Pham, T.D. A1 - Sayegh, A. A1 - Singh, D. A1 - Stein, F. A1 - Zeier, M. T1 - RF measurements for future communication applications: an overview T2 - 2022 IEEE International Symposium on Measurements & Networking (M&N) N2 - In this paper research activities developed within the FutureCom project are presented. The project, funded by the European Metrology Programme for Innovation and Research (EMPIR), aims at evaluating and characterizing: (i) active devices, (ii) signal- and power integrity of field programmable gate array (FPGA) circuits, (iii) operational performance of electronic circuits in real-world and harsh environments (e.g. below and above ambient temperatures and at different levels of humidity), (iv) passive inter-modulation (PIM) in communication systems considering different values of temperature and humidity corresponding to the typical operating conditions that we can experience in real-world scenarios. An overview of the FutureCom project is provided here, then the research activities are described. KW - FPGA KW - signal integrity KW - power integrity KW - passive inter-modulation KW - metrological characterization Y1 - 2022 SN - 978-1-6654-8362-9 SN - 978-1-6654-8363-6 U6 - https://doi.org/10.1109/MN55117.2022.9887740 SN - 2639-5061 SN - 2639-507X N1 - 2022 IEEE International Symposium on Measurements & Networking (M&N), 18-20 July 2022, Padua, Italy. SP - 1 EP - 6 PB - IEEE ER - TY - JOUR A1 - Lindner, Simon A1 - Burger, René A1 - Rutledge, Douglas N. A1 - Do, Xuan Tung A1 - Rumpf, Jessica A1 - Diehl, Bernd W. K. A1 - Schulze, Margit A1 - Monakhova, Yulia T1 - Is the calibration transfer of multivariate calibration models between high- and low-field NMR instruments possible? A case study of lignin molecular weight JF - Analytical chemistry N2 - 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. Y1 - 2022 SN - 1520-6882 U6 - https://doi.org/10.1021/acs.analchem.1c05125 VL - 94 IS - 9 SP - 3997 EP - 4004 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Multinuclear NMR screening of pharmaceuticals using standardization by 2H integral of a deuterated solvent JF - Journal of Pharmaceutical and Biomedical Analysis N2 - NMR standardization approach that uses the 2H integral of deuterated solvent for quantitative multinuclear analysis of pharmaceuticals is described. As a proof of principle, the existing NMR procedure for the analysis of heparin products according to US Pharmacopeia monograph is extended to the determination of Na+ and Cl- content in this matrix. Quantification is performed based on the ratio of a 23Na (35Cl) NMR integral and 2H NMR signal of deuterated solvent, D2O, acquired using the specific spectrometer hardware. As an alternative, the possibility of 133Cs standardization using the addition of Cs2CO3 stock solution is shown. Validation characteristics (linearity, repeatability, sensitivity) are evaluated. A holistic NMR profiling of heparin products can now also be used for the quantitative determination of inorganic compounds in a single analytical run using a single sample. In general, the new standardization methodology provides an appealing alternative for the NMR screening of inorganic and organic components in pharmaceutical products. KW - NMR spectroscopy KW - Inorganic ions KW - Heparin KW - Standardization Y1 - 2022 SN - 0731-7085 U6 - https://doi.org/10.1016/j.jpba.2021.114530 VL - 209 IS - Article number: 114530 PB - Elsevier ER - TY - JOUR A1 - Burger, René A1 - Lindner, Simon A1 - Rumpf, Jessica A1 - Do, Xuan Tung A1 - Diehl, Bernd W.K. A1 - Rehahn, Matthias A1 - Monakhova, Yulia A1 - Schulze, Margit T1 - Benchtop versus high field NMR: Comparable performance found for the molecular weight determination of lignin JF - Journal of Pharmaceutical and Biomedical Analysis N2 - 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. KW - NMR KW - PLS-regression KW - Molecular weight determination KW - Chemometrics KW - Biomass Y1 - 2022 SN - 0731-7085 U6 - https://doi.org/10.1016/j.jpba.2022.114649 VL - 212 IS - Article number: 114649 PB - Elsevier CY - New York, NY ER - TY - JOUR A1 - Monakhova, Yulia A1 - Soboleva, Polina M. A1 - Fedotova, Elena S. A1 - Musina, Kristina T. A1 - Burmistrova, Natalia A. T1 - Quantum chemical calculations of IR spectra of heparin disaccharide subunits JF - Computational and Theoretical Chemistry N2 - 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. KW - IR spectroscopy KW - Chemometrics KW - Quantum chemistry KW - Molecular modelling KW - Quality control Y1 - 2022 SN - 2210-271X U6 - https://doi.org/10.1016/j.comptc.2022.113891 VL - 1217 IS - Article number: 113891 PB - Elsevier CY - New York, NY ER - TY - GEN A1 - Steuer-Dankert, Linda A1 - Bernhard, Sebastian A1 - Langolf, Jessica A1 - Leicht-Scholten, Carmen T1 - Managing change and acceptance of digitalization strategies - Implementing the vision of „Internet of Production“ (IoP) in existing corporate structures T2 - Textile Impulse für die Zukunft: Aachen-Dresden-Denkendorf International Textile Conference 2022 N2 - The vision of the Internet of Production is to enable a new level of crossdomain collaboration by providing semantically adequate and context-aware data from production, development & usage in real-time. Y1 - 2022 N1 - Textile Impulse für die Zukunft: Aachen-Dresden-Denkendorf International Textile Conference 2022 : 1. – 2. Dezember 2022, Eurogress Aachen SP - 153 EP - 153 ER -