TY - JOUR A1 - Muschallik, Lukas A1 - Kipp, Carina Ronja A1 - Recker, Inga A1 - Bongaerts, Johannes A1 - Pohl, Martina A1 - Gelissen, Melanie A1 - Schöning, Michael Josef A1 - Selmer, Thorsten A1 - Siegert, Petra T1 - Synthesis of α-hydroxy ketones and vicinal diols with the Bacillus licheniformis DSM 13T butane-2, 3-diol dehydrogenase JF - Journal of Biotechnology N2 - The enantioselective synthesis of α-hydroxy ketones and vicinal diols is an intriguing field because of the broad applicability of these molecules. Although, butandiol dehydrogenases are known to play a key role in the production of 2,3-butandiol, their potential as biocatalysts is still not well studied. Here, we investigate the biocatalytic properties of the meso-butanediol dehydrogenase from Bacillus licheniformis DSM 13T (BlBDH). The encoding gene was cloned with an N-terminal StrepII-tag and recombinantly overexpressed in E. coli. BlBDH is highly active towards several non-physiological diketones and α-hydroxyketones with varying aliphatic chain lengths or even containing phenyl moieties. By adjusting the reaction parameters in biotransformations the formation of either the α-hydroxyketone intermediate or the diol can be controlled. Y1 - 2020 SN - 2590-1559 U6 - http://dx.doi.org/10.1016/j.jbiotec.2020.09.016 VL - 202 IS - Vol. 324 SP - 61 EP - 70 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Everaers, Ralf A1 - Karimi-Varzaneh, Hossein Ali A1 - Fleck, Franz A1 - Hojdis, Nils A1 - Svaneborg, Carsten T1 - Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale JF - Macromolecules N2 - The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer properties in molecular dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent specific polymers species and conditions. Here we show that by tuning the chain stiffness it is possible to adapt the KG model to model melts of real polymers. In particular, we provide mapping relations from KG to SI units for a wide range of commodity polymers. The connection between the experimental and the KG melts is made at the Kuhn scale, i.e., at the crossover from the chemistry-specific small scale to the universal large scale behavior. We expect Kuhn scale-mapped KG models to faithfully represent universal properties dominated by the large scale conformational statistics and dynamics of flexible polymers. In particular, we observe very good agreement between entanglement moduli of our KG models and the experimental moduli of the target polymers. Y1 - 2020 U6 - http://dx.doi.org/10.1021/acs.macromol.9b02428 SN - 1520-5835 VL - 53 IS - 6 SP - 1901 EP - 1916 PB - ACS Publications CY - Washington, DC ER - TY - JOUR A1 - Müller, Tim M. A1 - Leise, Philipp A1 - Lorenz, Imke-Sophie A1 - Altherr, Lena A1 - Pelz, Peter F. T1 - Optimization and validation of pumping system design and operation for water supply in high-rise buildings JF - Optimization and Engineering N2 - The application of mathematical optimization methods for water supply system design and operation provides the capacity to increase the energy efficiency and to lower the investment costs considerably. We present a system approach for the optimal design and operation of pumping systems in real-world high-rise buildings that is based on the usage of mixed-integer nonlinear and mixed-integer linear modeling approaches. In addition, we consider different booster station topologies, i.e. parallel and series-parallel central booster stations as well as decentral booster stations. To confirm the validity of the underlying optimization models with real-world system behavior, we additionally present validation results based on experiments conducted on a modularly constructed pumping test rig. Within the models we consider layout and control decisions for different load scenarios, leading to a Deterministic Equivalent of a two-stage stochastic optimization program. We use a piecewise linearization as well as a piecewise relaxation of the pumps’ characteristics to derive mixed-integer linear models. Besides the solution with off-the-shelf solvers, we present a problem specific exact solving algorithm to improve the computation time. Focusing on the efficient exploration of the solution space, we divide the problem into smaller subproblems, which partly can be cut off in the solution process. Furthermore, we discuss the performance and applicability of the solution approaches for real buildings and analyze the technical aspects of the solutions from an engineer’s point of view, keeping in mind the economically important trade-off between investment and operation costs. KW - Technical Operations Research KW - MINLP KW - MILP KW - Experimental validation KW - Pumping systems Y1 - 2020 U6 - http://dx.doi.org/10.1007/s11081-020-09553-4 SN - 1573-2924 VL - 2021 IS - 22 SP - 643 EP - 686 PB - Springer ER - TY - JOUR A1 - Jung, Alexander A1 - Staat, Manfred T1 - Erratum to "Modeling and simulation of human induced pluripotent stem cell-derived cardiac tissue" [GAMM-Mitteilungen, (2019), 42, 4, 10.1002/gamm.201900002] JF - GAMM-Mitteilungen Y1 - 2020 U6 - http://dx.doi.org/10.1002/gamm.202000011 SN - 1522-2608 N1 - Refers to: Modeling and simulation of human induced pluripotent stem cell-derived cardiac tissue. Alexander Jung, Manfred Staat. Volume 42, Issue 4. GAMM-Mitteilungen, 2019. https://doi.org/10.1002/gamm.201900002 VL - 43 IS - 4 PB - Wiley-VCH GmbH CY - Weinheim ER - TY - JOUR A1 - Rausch, Valentin A1 - Harbrecht, Andreas A1 - Kahmann, Stephanie Lucina A1 - Fenten, Thomas A1 - Jovanovic, Nebojsa A1 - Hackl, Michael A1 - Müller, Lars P. A1 - Staat, Manfred A1 - Wegmann, Kilian T1 - Osteosynthesis of Phalangeal Fractures: Biomechanical Comparison of Kirschner Wires, Plates, and Compression Screws JF - The Journal of Hand Surgery N2 - Purpose The aim of this study was to compare several osteosynthesis techniques (intramedullary headless compression screws, T-plates, and Kirschner wires) for distal epiphyseal fractures of proximal phalanges in a human cadaveric model. Methods A total of 90 proximal phalanges from 30 specimens (index, ring, and middle fingers) were used for this study. After stripping off all soft tissue, a transverse distal epiphyseal fracture was simulated at the proximal phalanx. The 30 specimens were randomly assigned to 1 fixation technique (30 per technique), either a 3.0-mm intramedullary headless compression screw, locking plate fixation with a 2.0-mm T-plate, or 2 oblique 1.0-mm Kirschner wires. Displacement analysis (bending, distraction, and torsion) was performed using optical tracking of an applied random speckle pattern after osteosynthesis. Biomechanical testing was performed with increasing cyclic loading and with cyclic load to failure using a biaxial torsion-tension testing machine. Results Cannulated intramedullary compression screws showed significantly less displacement at the fracture site in torsional testing. Furthermore, screws were significantly more stable in bending testing. Kirschner wires were significantly less stable than plating or screw fixation in any cyclic load to failure test setup. Conclusions Intramedullary compression screws are a highly stable alternative in the treatment of transverse distal epiphyseal phalangeal fractures. Kirschner wires seem to be inferior regarding displacement properties and primary stability. Clinical relevance Fracture fixation of phalangeal fractures using plate osteosynthesis may have the advantage of a very rigid reduction, but disadvantages such as stiffness owing to the more invasive surgical approach and soft tissue irritation should be taken into account. Headless compression screws represent a minimally invasive choice for fixation with good biomechanical properties. Y1 - 2020 U6 - http://dx.doi.org/10.1016/j.jhsa.2020.04.010 SN - 0363-5023 VL - 45 IS - 10 SP - 987.e1 EP - 987.e8 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Khayyam, Hamid A1 - Jamali, Ali A1 - Bab-Hadiashar, Alireza A1 - Esch, Thomas A1 - Ramakrishna, Seeram A1 - Jalil, Mahdi A1 - Naebe, Minoo T1 - A Novel Hybrid Machine Learning Algorithm for Limited and Big Data Modelling with Application in Industry 4.0 JF - IEEE Access N2 - To meet the challenges of manufacturing smart products, the manufacturing plants have been radically changed to become smart factories underpinned by industry 4.0 technologies. The transformation is assisted by employment of machine learning techniques that can deal with modeling both big or limited data. This manuscript reviews these concepts and present a case study that demonstrates the use of a novel intelligent hybrid algorithms for Industry 4.0 applications with limited data. In particular, an intelligent algorithm is proposed for robust data modeling of nonlinear systems based on input-output data. In our approach, a novel hybrid data-driven combining the Group-Method of Data-Handling and Singular-Value Decomposition is adapted to find an offline deterministic model combined with Pareto multi-objective optimization to overcome the overfitting issue. An Unscented-Kalman-Filter is also incorporated to update the coefficient of the deterministic model and increase its robustness against data uncertainties. The effectiveness of the proposed method is examined on a set of real industrial measurements. Y1 - 2020 SN - 2169-3536 U6 - http://dx.doi.org/10.1109/ACCESS.2020.2999898 SP - 1 EP - 12 PB - IEEE CY - New York, NY ER - TY - JOUR A1 - Kreyer, Jörg A1 - Müller, Marvin A1 - Esch, Thomas T1 - A Calculation Methodology for Predicting Exhaust Mass Flows and Exhaust Temperature Profiles for Heavy-Duty Vehicles JF - SAE International Journal of Commercial Vehicles N2 - The predictive control of commercial vehicle energy management systems, such as vehicle thermal management or waste heat recovery (WHR) systems, are discussed on the basis of information sources from the field of environment recognition and in combination with the determination of the vehicle system condition. In this article, a mathematical method for predicting the exhaust gas mass flow and the exhaust gas temperature is presented based on driving data of a heavy-duty vehicle. The prediction refers to the conditions of the exhaust gas at the inlet of the exhaust gas recirculation (EGR) cooler and at the outlet of the exhaust gas aftertreatment system (EAT). The heavy-duty vehicle was operated on the motorway to investigate the characteristic operational profile. In addition to the use of road gradient profile data, an evaluation of the continuously recorded distance signal, which represents the distance between the test vehicle and the road user ahead, is included in the prediction model. Using a Fourier analysis, the trajectory of the vehicle speed is determined for a defined prediction horizon. To verify the method, a holistic simulation model consisting of several hierarchically structured submodels has been developed. A map-based submodel of a combustion engine is used to determine the EGR and EAT exhaust gas mass flows and exhaust gas temperature profiles. All simulation results are validated on the basis of the recorded vehicle and environmental data. Deviations from the predicted values are analyzed and discussed. Y1 - 2020 U6 - http://dx.doi.org/10.4271/02-13-02-0009 SN - 1946-3928 VL - 13 IS - 2 SP - 129 EP - 143 PB - SAE International CY - Warrendale, Pa. ER - TY - JOUR A1 - Götten, Falk A1 - Havermann, Marc A1 - Braun, Carsten A1 - Marino, Matthew A1 - Bil, Cees T1 - Wind-tunnel and CFD investigations of UAV landing gears and turrets – Improvements in empirical drag estimation JF - Aerospace Science and Technology N2 - This paper analyzes the drag characteristics of several landing gear and turret configurations that are representative of unmanned aircraft tricycle landing gears and sensor turrets. A variety of these components were constructed via 3D-printing and analyzed in a wind-tunnel measurement campaign. Both turrets and landing gears were attached to a modular fuselage that supported both isolated components and multiple components at a time. Selected cases were numerically investigated with a Reynolds-averaged Navier-Stokes approach that showed good accuracy when compared to wind-tunnel data. The drag of main gear struts could be significantly reduced via streamlining their cross-sectional shape and keeping load carrying capabilities similar. The attachment of wheels introduced interference effects that increased strut drag moderately but significantly increased wheel drag compared to isolated cases. Very similar behavior was identified for front landing gears. The drag of an electro-optical and infrared sensor turret was found to be much higher than compared to available data of a clean hemisphere-cylinder combination. This turret drag was merely influenced by geometrical features like sensor surfaces and the rotational mechanism. The new data of this study is used to develop simple drag estimation recommendations for main and front landing gear struts and wheels as well as sensor turrets. These recommendations take geometrical considerations and interference effects into account. Y1 - 2020 U6 - http://dx.doi.org/10.1016/j.ast.2020.106306 SN - 1270-9638 VL - 107 IS - Art. 106306 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Henriques, A. A1 - Jurado, B. A1 - Grieser, M. A1 - Denis-Petit, D. A1 - Chiron, T. A1 - Gaudefroy, L. A1 - Glorius, J. A1 - Langer, Christoph A1 - Litvinov, Yu. A. A1 - Mathieu, L. A1 - Meot, V. A1 - Perez-Sanchez, R. A1 - Pibernat, J. A1 - Reifarth, R. A1 - Roig, O. A1 - Thomas, B. A1 - Thomas, B. A. A1 - Thomas, J. C. A1 - Tsekhanovich, I. T1 - Indirect measurements of neutron cross-secti at heavy-ion storage rings JF - Journal of Physics: Conference Series N2 - Cross sections for neutron-induced reactions of short-lived nuclei are essential for nuclear astrophysics since these reactions in the stars are responsible for the production of most heavy elements in the universe. These reactions are also key in applied domains like energy production and medicine. Nevertheless, neutron-induced cross-section measurements can be extremely challenging or even impossible to perform due to the radioactivity of the targets involved. Indirect measurements through the surrogate-reaction method can help to overcome these difficulties. The surrogate-reaction method relies on the use of an alternative reaction that will lead to the formation of the same excited nucleus as in the neutron-induced reaction of interest. The decay probabilities (for fission, neutron and gamma-ray emission) of the nucleus produced via the surrogate reaction allow one to constrain models and the prediction of the desired neutron cross sections. We propose to perform surrogate reaction measurements in inverse kinematics at heavy-ion storage rings, in particular at the CRYRING@ESR of the GSI/FAIR facility. We present the conceptual idea of the most promising setup to measure for the first time simultaneously the fission, neutron and gamma-ray emission probabilities. The results of the first simulations considering the 238U(d,d') reaction are shown, as well as new technical developments that are being carried out towards this set-up. Y1 - 2020 U6 - http://dx.doi.org/10.1088/1742-6596/1668/1/012019 VL - 1668 IS - Art. 012019 PB - IOP CY - Bristol ER - TY - JOUR A1 - Varga, Laszlo A1 - Davinson, Thomas A1 - Glorius, Jan A1 - Jurado, Beatrix A1 - Langer, Christoph A1 - Lederer-Woods, Claudia A1 - Litvinov, Yuri A. A1 - Reifarth, Rene A1 - Slavkovska, Zuzana A1 - Stöhlker, Thomas A1 - Woods, Phil J. A1 - Xing, Yuan Ming T1 - Towards background-free studies of capture reaction in a heavy-ion storage ring JF - Journal of Physics: Conference Series N2 - Stored and cooled, highly-charged ions offer unprecedented capabilities for precision studies in the realm of atomic, nuclear structure and astrophysics[1]. After the successful investigation of the 96Ru(p,7)97Rh reaction cross section in 2009[2], the first measurement of the 124Xe(p,7)125Cs reaction cross section has been performed with decelerated, fully-ionized 124Xe ions in 2016 at the Experimental Storage Ring (ESR) of GSI[3]. Using a Double Sided Silicon Strip Detector, introduced directly into the ultra-high vacuum environment of a storage ring, the 125Cs proton-capture products have been successfully detected. The cross section has been measured at 5 different energies between 5.5AMeV and 8AMeV, on the high energy tail of the Gamow-window for hot, explosive scenarios such as supernovae and X-ray binaries. The elastic scattering on the H2 gas jet target is the major source of background to count the (p,7) events. Monte Carlo simulations show that an additional slit system in the ESR in combination with the energy information of the Si detector will enable background free measurements of the proton-capture products. The corresponding hardware is being prepared and will increase the sensitivity of the method tremendously. Y1 - 2020 VL - 1668 IS - Art 012046 PB - IOP CY - Bristol ER -