TY - JOUR A1 - Hein, Andreas M. A1 - Eubanks, T. Marshall A1 - Lingam, Manasvi A1 - Hibberd, Adam A1 - Fries, Dan A1 - Schneider, Jean A1 - Kervella, Pierre A1 - Kennedy, Robert A1 - Perakis, Nikolaos A1 - Dachwald, Bernd T1 - Interstellar now! Missions to explore nearby interstellar objects JF - Advances in Space Research N2 - The recently discovered first hyperbolic objects passing through the Solar System, 1I/’Oumuamua and 2I/Borisov, have raised the question about near term missions to Interstellar Objects. In situ spacecraft exploration of these objects will allow the direct determination of both their structure and their chemical and isotopic composition, enabling an entirely new way of studying small bodies from outside our solar system. In this paper, we map various Interstellar Object classes to mission types, demonstrating that missions to a range of Interstellar Object classes are feasible, using existing or near-term technology. We describe flyby, rendezvous and sample return missions to interstellar objects, showing various ways to explore these bodies characterizing their surface, dynamics, structure and composition. Their direct exploration will constrain their formation and history, situating them within the dynamical and chemical evolution of the Galaxy. These mission types also provide the opportunity to explore solar system bodies and perform measurements in the far outer solar system. KW - Interstellar objects KW - Trajectories KW - Missions Y1 - 2022 U6 - https://doi.org/10.1016/j.asr.2021.06.052 SN - 0273-1177 VL - 69 IS - 1 SP - 402 EP - 414 PB - Elsevier CY - Amsterdam ER - TY - CHAP A1 - Akimbekov, Nuraly S. A1 - Digel, Ilya A1 - Sherelkhan, Dinara K. A1 - Razzaque, Mohammed S. T1 - Vitamin D and Phosphate Interactions in Health and Disease T2 - Phosphate Metabolism N2 - Vitamin D plays an essential role in calcium and inorganic phosphate (Pi) homeostasis, maintaining their optimal levels to assure adequate bone mineralization. Vitamin D, as calcitriol (1,25(OH)2D), not only increases intestinal calcium and phosphate absorption but also facilitates their renal reabsorption, leading to elevated serum calcium and phosphate levels. The interaction of 1,25(OH)2D with its receptor (VDR) increases the efficiency of intestinal absorption of calcium to 30–40% and phosphate to nearly 80%. Serum phosphate levels can also influence 1,25 (OH)2D and fibroblast growth factor 23 (FGF23) levels, i.e., higher phosphate concentrations suppress vitamin D activation and stimulate parathyroid hormone (PTH) release, while a high FGF23 serum level leads to reduced vitamin D synthesis. In the vitamin D-deficient state, the intestinal calcium absorption decreases and the secretion of PTH increases, which in turn causes the stimulation of 1,25(OH)2D production, resulting in excessive urinary phosphate loss. Maintenance of phosphate homeostasis is essential as hyperphosphatemia is a risk factor of cardiovascular calcification, chronic kidney diseases (CKD), and premature aging, while hypophosphatemia is usually associated with rickets and osteomalacia. This chapter elaborates on the possible interactions between vitamin D and phosphate in health and disease. KW - Vitamin D KW - PTH KW - Phosphate KW - FGF23 KW - Klotho Y1 - 2022 SN - 978-3-030-91621-3 U6 - https://doi.org/10.1007/978-3-030-91623-7_5 SP - 37 EP - 46 PB - Springer CY - Cham ER - TY - CHAP A1 - Weiss, Christian A1 - Heslenfeld, Jonas A1 - Saewe, Jasmin Kathrin A1 - Bremen, Sebastian A1 - Häfner, Constantin Leon T1 - Investigation on the influence of powder humidity in Laser Powder Bed Fusion (LPBF) T2 - Procedia CIRP 12th CIRP Conference on Photonic Technologies [LANE 2022] N2 - In the Laser Powder Bed Fusion (LPBF) process, parts are built out of metal powder material by exposure of a laser beam. During handling operations of the powder material, several influencing factors can affect the properties of the powder material and therefore directly influence the processability during manufacturing. Contamination by moisture due to handling operations is one of the most critical aspects of powder quality. In order to investigate the influences of powder humidity on LPBF processing, four materials (AlSi10Mg, Ti6Al4V, 316L and IN718) are chosen for this study. The powder material is artificially humidified, subsequently characterized, manufactured into cubic samples in a miniaturized process chamber and analyzed for their relative density. The results indicate that the processability and reproducibility of parts made of AlSi10Mg and Ti6Al4V are susceptible to humidity, while IN718 and 316L are barely influenced. KW - LPBF KW - Additive Manufacturing KW - Powder Material KW - Humidity Y1 - 2022 U6 - https://doi.org/10.1016/j.procir.2022.08.102 SN - 2212-8271 N1 - 12th CIRP Conference on Photonic Technologies [LANE 2022], 04. September 2022 bis 08. September 2022, Fürth VL - 111 SP - 115 EP - 120 PB - Elsevier CY - Amsterdam ER - TY - CHAP A1 - Eggert, Mathias A1 - Dyong, Julian T1 - Applying process mining in small and medium sized IT enterprises – challenges and guidelines T2 - Business Process Management, 20th International Conference, BPM 2022, Proceedings N2 - Process mining gets more and more attention even outside large enterprises and can be a major benefit for small and medium sized enterprises (SMEs) to gain competitive advantages. Applying process mining is challenging, particularly for SMEs because they have less resources and process maturity. So far, IS researchers analyzed process mining challenges with a focus on larger companies. This paper investigates the application of process mining by means of a case study and sheds light into the particular challenges of an IT SME. The results reveal 13 SME process mining challenges and seven guidelines to address them. In this way, the paper contributes to the understanding of process mining application in SME and shows similarities and differences to larger companies. KW - Process mining KW - Challenges KW - Guidelines KW - SME KW - Case Study Y1 - 2022 SN - 978-3-031-16103-2 U6 - https://doi.org/10.1007/978-3-031-16103-2_11 N1 - International Conference on Business Process Management (BPM 2022), Münster, Germany, Sept. 11-16, 2022 SP - 125 EP - 142 PB - Springer CY - Cham ER - TY - JOUR A1 - von Häfen, Hajo A1 - Krautwald, Clemens A1 - Stolle, Jacob A1 - Bung, Daniel Bernhard A1 - Goseberg, Nils T1 - Overland flow of broken solitary waves over a two-dimensional coastal plane JF - Coastal Engineering N2 - Landslides, rock falls or related subaerial and subaqueous mass slides can generate devastating impulse waves in adjacent waterbodies. Such waves can occur in lakes and fjords, or due to glacier calving in bays or at steep ocean coastlines. Infrastructure and residential houses along coastlines of those waterbodies are often situated on low elevation terrain, and are potentially at risk from inundation. Impulse waves, running up a uniform slope and generating an overland flow over an initially dry adjacent horizontal plane, represent a frequently found scenario, which needs to be better understood for disaster planning and mitigation. This study presents a novel set of large-scale flume test focusing on solitary waves propagating over a 1:14.5 slope and breaking onto a horizontal section. Examining the characteristics of overland flow, this study gives, for the first time, insight into the fundamental process of overland flow of a broken solitary wave: its shape and celerity, as well as its momentum when wave breaking has taken place beforehand. KW - Landslide tsunamis KW - Hazard assessment KW - Large scale tests KW - Overland flow KW - Solitary waves Y1 - 2022 U6 - https://doi.org/10.1016/j.coastaleng.2022.104125 SN - 1872-7379 VL - 175 IS - August PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Topçu, Murat A1 - Madabhushi, Gopal S.P. A1 - Staat, Manfred T1 - A generalized shear-lag theory for elastic stress transfer between matrix and fibres having a variable radius JF - International Journal of Solids and Structures N2 - A generalized shear-lag theory for fibres with variable radius is developed to analyse elastic fibre/matrix stress transfer. The theory accounts for the reinforcement of biological composites, such as soft tissue and bone tissue, as well as for the reinforcement of technical composite materials, such as fibre-reinforced polymers (FRP). The original shear-lag theory proposed by Cox in 1952 is generalized for fibres with variable radius and with symmetric and asymmetric ends. Analytical solutions are derived for the distribution of axial and interfacial shear stress in cylindrical and elliptical fibres, as well as conical and paraboloidal fibres with asymmetric ends. Additionally, the distribution of axial and interfacial shear stress for conical and paraboloidal fibres with symmetric ends are numerically predicted. The results are compared with solutions from axisymmetric finite element models. A parameter study is performed, to investigate the suitability of alternative fibre geometries for use in FRP. KW - Natural fibres KW - Polymer-matrix composites KW - Biocomposites KW - Stress concentrations KW - Finite element analysis Y1 - 2022 U6 - https://doi.org/10.1016/j.ijsolstr.2022.111464 SN - 0020-7683 VL - 239–240 IS - Art. No. 111464 PB - Elsevier CY - New York, NY ER - TY - JOUR A1 - Bhattarai, Aroj A1 - Horbach, Andreas A1 - Staat, Manfred A1 - Kowalczyk, Wojciech A1 - Tran, Thanh Ngoc T1 - Virgin passive colon biomechanics and a literature review of active contraction constitutive models JF - Biomechanics N2 - The objective of this paper is to present our findings on the biomechanical aspects of the virgin passive anisotropic hyperelasticity of the porcine colon based on equibiaxial tensile experiments. Firstly, the characterization of the intestine tissues is discussed for a nearly incompressible hyperelastic fiber-reinforced Holzapfel–Gasser–Ogden constitutive model in virgin passive loading conditions. The stability of the evaluated material parameters is checked for the polyconvexity of the adopted strain energy function using positive eigenvalue constraints of the Hessian matrix with MATLAB. The constitutive material description of the intestine with two collagen fibers in the submucosal and muscular layer each has been implemented in the FORTRAN platform of the commercial finite element software LS-DYNA, and two equibiaxial tensile simulations are presented to validate the results with the optical strain images obtained from the experiments. Furthermore, this paper also reviews the existing models of the active smooth muscle cells, but these models have not been computationally studied here. The review part shows that the constitutive models originally developed for the active contraction of skeletal muscle based on Hill’s three-element model, Murphy’s four-state cross-bridge chemical kinetic model and Huxley’s sliding-filament hypothesis, which are mainly used for arteries, are appropriate for numerical contraction numerical analysis of the large intestine. KW - virgin passive KW - strain energy function KW - smooth muscle contraction KW - viscoelasticity KW - damage Y1 - 2022 U6 - https://doi.org/10.3390/biomechanics2020013 SN - 2673-7078 VL - 2 IS - 2 SP - 138 EP - 157 PB - MDPI CY - Basel ER - TY - JOUR A1 - Marinković, Marko A1 - Butenweg, Christoph ED - Ford, Michael C. T1 - Experimental testing of decoupled masonry infills with steel anchors for out-of-plane support under combined in-plane and out-of-plane seismic loading JF - Construction and Building Materials N2 - Because of simple construction process, high energy efficiency, significant fire resistance and excellent sound isolation, masonry infilled reinforced concrete (RC) frame structures are very popular in most of the countries in the world, as well as in seismic active areas. However, many RC frame structures with masonry infills were seriously damaged during earthquake events, as the traditional infills are generally constructed with direct contact to the RC frame which brings undesirable infill/frame interaction. This interaction leads to the activation of the equivalent diagonal strut in the infill panel, due to the RC frame deformation, and combined with seismically induced loads perpendicular to the infill panel often causes total collapses of the masonry infills and heavy damages to the RC frames. This fact was the motivation for developing different approaches for improving the behaviour of masonry infills, where infill isolation (decoupling) from the frame has been more intensively studied in the last decade. In-plane isolation of the infill wall reduces infill activation, but causes the need for additional measures to restrain out-of-plane movements. This can be provided by installing steel anchors, as proposed by some researchers. Within the framework of European research project INSYSME (Innovative Systems for Earthquake Resistant Masonry Enclosures in Reinforced Concrete Buildings) the system based on a use of elastomers for in-plane decoupling and steel anchors for out-of-plane restrain was tested. This constructive solution was tested and deeply investigated during the experimental campaign where traditional and decoupled masonry infilled RC frames with anchors were subjected to separate and combined in-plane ‬and out-of-plane loading. Based on a detailed evaluation and comparison of the test results, the performance and effectiveness of the developed system are illustrated. KW - Masonry infill KW - Reinforced concrete frame KW - Earthquake KW - INSYSME KW - Decoupling Y1 - 2022 U6 - https://doi.org/10.1016/j.conbuildmat.2021.126041 SN - 1879-0526 SN - 0950-0618 VL - 318 IS - 1 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Tran, Ngoc Trinh A1 - Trinh, Tu Luc A1 - Dao, Ngoc Tien A1 - Giap, Van Tan A1 - Truong, Manh Khuyen A1 - Dinh, Thuy Ha A1 - Staat, Manfred T1 - FEM shakedown analysis of structures under random strength with chance constrained programming JF - Vietnam Journal of Mechanics N2 - Direct methods, comprising limit and shakedown analysis, are a branch of computational mechanics. They play a significant role in mechanical and civil engineering design. The concept of direct methods aims to determine the ultimate load carrying capacity of structures beyond the elastic range. In practical problems, the direct methods lead to nonlinear convex optimization problems with a large number of variables and constraints. If strength and loading are random quantities, the shakedown analysis can be formulated as stochastic programming problem. In this paper, a method called chance constrained programming is presented, which is an effective method of stochastic programming to solve shakedown analysis problems under random conditions of strength. In this study, the loading is deterministic, and the strength is a normally or lognormally distributed variable. KW - limit analysis KW - shakedown analysis KW - chance constrained programming KW - stochastic programming KW - reliability of structures Y1 - 2022 U6 - https://doi.org/10.15625/0866-7136/17943 SN - 0866-7136 SN - 2815-5882 VL - 44 IS - 4 SP - 459 EP - 473 PB - Vietnam Academy of Science and Technology (VAST) ER - TY - CHAP A1 - Welden, Melanie A1 - Severins, Robin A1 - Poghossian, Arshak A1 - Wege, Christina A1 - Siegert, Petra A1 - Keusgen, Michael A1 - Schöning, Michael Josef T1 - Studying the immobilization of acetoin reductase with Tobacco mosaic virus particles on capacitive field-effect sensors T2 - 2022 IEEE International Symposium on Olfaction and Electronic Nose (ISOEN) N2 - A capacitive electrolyte-insulator-semiconductor (EISCAP) biosensor modified with Tobacco mosaic virus (TMV) particles for the detection of acetoin is presented. The enzyme acetoin reductase (AR) was immobilized on the surface of the EISCAP using TMV particles as nanoscaffolds. The study focused on the optimization of the TMV-assisted AR immobilization on the Ta 2 O 5 -gate EISCAP surface. The TMV-assisted acetoin EISCAPs were electrochemically characterized by means of leakage-current, capacitance-voltage, and constant-capacitance measurements. The TMV-modified transducer surface was studied via scanning electron microscopy. KW - Tobacco mosaic virus KW - acetoin KW - capacitive field-effect biosensor KW - enzyme immobilization Y1 - 2022 SN - 978-1-6654-5860-3 (Online) SN - 978-1-6654-5861-0 (Print) U6 - https://doi.org/10.1109/ISOEN54820.2022.9789657 N1 - IEEE International Symposium on Olfaction and Electronic Nose (ISOEN), 29 May 2022 - 01 June 2022, Aveiro, Portugal. PB - IEEE ER - TY - CHAP A1 - Hoffschmidt, Bernhard A1 - Alexopoulos, Spiros A1 - Rau, Christoph A1 - Sattler, Johannes Christoph A1 - Anthrakidis, Anette A1 - Teixeira Boura, Cristiano José A1 - O’Connor, B. A1 - Chico Caminos, Ricardo Alexander A1 - Rendón, C. A1 - Hilger, P. T1 - Concentrating solar power T2 - Comprehensive Renewable Energy (Second Edition) / Volume 3: Solar Thermal Systems: Components and Applications N2 - 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. KW - Central receiver power plant KW - Concentrated systems KW - Gas turbine KW - Hybridization KW - Power conversion systems Y1 - 2022 SN - 978-0-12-819734-9 SP - 670 EP - 724 PB - Elsevier CY - Amsterdam 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 - Heuermann, Holger A1 - Emmrich, Thomas A1 - Bongartz, Simon T1 - Microwave spark plug to support ignitions with high compression ratios JF - IEEE Transactions on Plasma Science N2 - Upcoming gasoline engines should run with a larger number of fuels beginning from petrol over methanol up to gas by a wide range of compression ratios and a homogeneous charge. In this article, the microwave (MW) spark plug, based on a high-speed frequency hopping system, is introduced as a solution, which can support a nitrogen compression ratio up to 1:39 in a chamber and more. First, an overview of the high-speed frequency hopping MW ignition and operation system as well as the large number of applications are presented. Both gives an understanding of this new base technology for MW plasma generation. Focus of the theoretical part is the explanation of the internal construction of the spark plug, on the achievable of the high voltage generation as well as the high efficiency to hold the plasma. In detail, the development process starting with circuit simulations and ending with the numerical multiphysics field simulations is described. The concept is evaluated with a reference prototype covering the frequency range between 2.40 and 2.48 GHz and working over a large power range from 20 to 200 W. A larger number of different measurements starting by vector hot-S11 measurements and ending by combined working scenarios out of hot temperature, high pressure and charge motion are winding up the article. The limits for the successful pressure tests were given by the pressure chamber. Pressures ranged from 1 to 39 bar and charge motion up to 25 m/s as well as temperatures from 30◦ to 125◦. KW - Automotive application KW - ignition KW - microplasma KW - microwave (MW) plasma KW - plasma jet Y1 - 2022 U6 - https://doi.org/10.1109/TPS.2022.3183690 SN - 1939-9375 IS - Early Access SP - 1 EP - 6 PB - IEEE 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 - 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 - 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 - Monakhova, Yulia A1 - Diehl, Bernd W.K. T1 - Nuclear magnetic resonance spectroscopy as an elegant tool for a complete quality control of crude heparin material JF - Journal of Pharmaceutical and Biomedical Analysis N2 - 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). KW - NMR spectroscopy KW - Heparin KW - Crude heparin KW - USP KW - Ions Y1 - 2022 U6 - https://doi.org/10.1016/j.jpba.2022.114915 SN - 0731-7085 VL - 219 IS - Article number: 114915 PB - Elsevier CY - New York, NY 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 - CHAP A1 - Sattler, Johannes Christoph A1 - Schneider, Iesse Peer A1 - Angele, Florian A1 - Atti, Vikrama Naga Babu A1 - Teixeira Boura, Cristiano José A1 - Herrmann, Ulf T1 - Development of heliostat field calibration methods: Theory and experimental test results T2 - SolarPACES 2022 conference proceedings N2 - In this work, three patent pending calibration methods for heliostat fields of central receiver systems (CRS) developed by the Solar-Institut Jülich (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. KW - Heliostat Field Calibration KW - Unmanned aerial vehicle KW - UAV KW - Quadrocopter KW - Camera system Y1 - 2024 U6 - https://doi.org/10.52825/solarpaces.v1i.678 SN - 2751-9899 (online) N1 - SolarPACES 2022: 28th International Conference on Concentrating Solar Power and Chemical Energy Systems, 27-30 September, Albuquerque, NM, USA IS - 1 PB - TIB Open Publishing CY - Hannover ER -