@article{MuschallikMolinnusJablonskietal.2020, author = {Muschallik, Lukas and Molinnus, Denise and Jablonski, Melanie and Kipp, Carina Ronja and Bongaerts, Johannes and Pohl, Martina and Wagner, Torsten and Sch{\"o}ning, Michael Josef and Selmer, Thorsten and Siegert, Petra}, title = {Synthesis of α-hydroxy ketones and vicinal (R, R)-diols by Bacillus clausii DSM 8716ᵀ butanediol dehydrogenase}, series = {RSC Advances}, volume = {10}, journal = {RSC Advances}, publisher = {Royal Society of Chemistry (RSC)}, address = {Cambridge}, issn = {2046-2069}, doi = {10.1039/D0RA02066D}, pages = {12206 -- 12216}, year = {2020}, abstract = {α-hydroxy ketones (HK) and 1,2-diols are important building blocks for fine chemical synthesis. Here, we describe the R-selective 2,3-butanediol dehydrogenase from B. clausii DSM 8716ᵀ (BcBDH) that belongs to the metal-dependent medium chain dehydrogenases/reductases family (MDR) and catalyzes the selective asymmetric reduction of prochiral 1,2-diketones to the corresponding HK and, in some cases, the reduction of the same to the corresponding 1,2-diols. Aliphatic diketones, like 2,3-pentanedione, 2,3-hexanedione, 5-methyl-2,3-hexanedione, 3,4-hexanedione and 2,3-heptanedione are well transformed. In addition, surprisingly alkyl phenyl dicarbonyls, like 2-hydroxy-1-phenylpropan-1-one and phenylglyoxal are accepted, whereas their derivatives with two phenyl groups are not substrates. Supplementation of Mn²⁺ (1 mM) increases BcBDH's activity in biotransformations. Furthermore, the biocatalytic reduction of 5-methyl-2,3-hexanedione to mainly 5-methyl-3-hydroxy-2-hexanone with only small amounts of 5-methyl-2-hydroxy-3-hexanone within an enzyme membrane reactor is demonstrated.}, language = {en} } @article{MuschallikKippReckeretal.2020, author = {Muschallik, Lukas and Kipp, Carina Ronja and Recker, Inga and Bongaerts, Johannes and Pohl, Martina and Gelissen, Melanie and Sch{\"o}ning, Michael Josef and Selmer, Thorsten and Siegert, Petra}, title = {Synthesis of α-hydroxy ketones and vicinal diols with the Bacillus licheniformis DSM 13T butane-2, 3-diol dehydrogenase}, series = {Journal of Biotechnology}, volume = {202}, journal = {Journal of Biotechnology}, number = {Vol. 324}, publisher = {Elsevier}, address = {Amsterdam}, isbn = {2590-1559}, doi = {10.1016/j.jbiotec.2020.09.016}, pages = {61 -- 70}, year = {2020}, abstract = {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.}, language = {en} } @article{MoretAlkemadeUpcraftetal.2020, author = {Moret, J.L.T.M. and Alkemade, J. and Upcraft, T.M. and Paulßen, Elisabeth and Wolterbeek, H.T. and Ommen, J.R. van and Denkova, A.G.}, title = {The application of atomic layer deposition in the production of sorbents for ⁹⁹Mo/⁹⁹ᵐTc generator}, series = {Applied Radiation and Isotopes}, volume = {164}, journal = {Applied Radiation and Isotopes}, number = {109266}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0969-8043}, doi = {10.1016/j.apradiso.2020.109266}, pages = {9}, year = {2020}, abstract = {New production routes for ⁹⁹Mo are steadily gaining importance. However, the obtained specific activity is much lower than currently produced by the fission of U-235. To be able to supply hospitals with ⁹⁹Mo/⁹⁹ᵐTc generators with the desired activity, the adsorption capacity of the column material should be increased. In this paper we have investigated whether the gas phase coating technique Atomic Layer Deposition (ALD), which can deposit ultra-thin layers on high surface area materials, can be used to attain materials with high adsorption capacity for ⁹⁹Mo. For this purpose, ALD was applied on a silica-core sorbent material to coat it with a thin layer of alumina. This sorbent material shows to have a maximum adsorption capacity of 120 mg/g and has a ⁹⁹ᵐTc elution efficiency of 55 ± 2\% based on 3 executive elutions.}, language = {en} } @article{MoratFaudeHanssenetal.2020, author = {Morat, Mareike and Faude, Oliver and Hanssen, Henner and Ludyga, Sebastian and Zacher, Jonas and Eibl, Angi and Albracht, Kirsten and Donath, Lars}, title = {Agility Training to Integratively Promote Neuromuscular, Cognitive, Cardiovascular and Psychosocial Function in Healthy Older Adults: A Study Protocol of a One-Year Randomized-Controlled Trial}, series = {International Journal of Environmental Research and Public Health}, volume = {17}, journal = {International Journal of Environmental Research and Public Health}, number = {6}, publisher = {MDPI}, address = {Basel}, issn = {1660-4601}, doi = {10.3390/ijerph17061853}, pages = {1 -- 14}, year = {2020}, abstract = {Exercise training effectively mitigates aging-induced health and fitness impairments. Traditional training recommendations for the elderly focus separately on relevant physiological fitness domains, such as balance, flexibility, strength and endurance. Thus, a more holistic and functional training framework is needed. The proposed agility training concept integratively tackles spatial orientation, stop and go, balance and strength. The presented protocol aims at introducing a two-armed, one-year randomized controlled trial, evaluating the effects of this concept on neuromuscular, cardiovascular, cognitive and psychosocial health outcomes in healthy older adults. Eighty-five participants were enrolled in this ongoing trial. Seventy-nine participants completed baseline testing and were block-randomized to the agility training group or the inactive control group. All participants undergo pre- and post-testing with interim assessment after six months. The intervention group currently receives supervised, group-based agility training twice a week over one year, with progressively demanding perceptual, cognitive and physical exercises. Knee extension strength, reactive balance, dual task gait speed and the Agility Challenge for the Elderly (ACE) serve as primary endpoints and neuromuscular, cognitive, cardiovascular, and psychosocial meassures serve as surrogate secondary outcomes. Our protocol promotes a comprehensive exercise training concept for older adults, that might facilitate stakeholders in health and exercise to stimulate relevant health outcomes without relying on excessively time-consuming physical activity recommendations.}, language = {en} } @article{MolinnusBegingLowisetal.2020, author = {Molinnus, Denise and Beging, Stefan and Lowis, Carsten and Sch{\"o}ning, Michael Josef}, title = {Towards a multi-enzyme capacitive field-effect biosensor by comparative study of drop-coating and nano-spotting technique}, series = {Sensors}, volume = {20}, journal = {Sensors}, number = {17}, publisher = {MDPI}, address = {Basel}, isbn = {1424-8220}, doi = {10.3390/s20174924}, pages = {Artikel 4942}, year = {2020}, abstract = {Multi-enzyme immobilization onto a capacitive field-effect biosensor by nano-spotting technique is presented. The nano-spotting technique allows to immobilize different enzymes simultaneously on the sensor surface with high spatial resolution without additional photolithographical patterning. The amount of applied enzymatic cocktail on the sensor surface can be tailored. Capacitive electrolyte-insulator-semiconductor (EIS) field-effect sensors with Ta2O5 as pH-sensitive transducer layer have been chosen to immobilize the three different (pL droplets) enzymes penicillinase, urease, and glucose oxidase. Nano-spotting immobilization is compared to conventional drop-coating method by defining different geometrical layouts on the sensor surface (fully, half-, and quarter-spotted). The drop diameter is varying between 84 µm and 102 µm, depending on the number of applied drops (1 to 4) per spot. For multi-analyte detection, penicillinase and urease are simultaneously nano-spotted on the EIS sensor. Sensor characterization was performed by C/V (capacitance/voltage) and ConCap (constant capacitance) measurements. Average penicillin, glucose, and urea sensitivities for the spotted enzymes were 81.7 mV/dec, 40.5 mV/dec, and 68.9 mV/dec, respectively.}, language = {en} } @inproceedings{MilkovaButenwegDumovaJovanoska2020, author = {Milkova, Kristina and Butenweg, Christoph and Dumova-Jovanoska, Elena}, title = {Methodology for development of seismic vulnerability curve for existing unreinforced Masonry buildings}, series = {Proceedings of the 17th World Conference on Earthquake Engineering}, booktitle = {Proceedings of the 17th World Conference on Earthquake Engineering}, pages = {13 Seiten}, year = {2020}, abstract = {Seismic behavior of an existing unreinforced masonry building built pre-modern code, located in the City of Ohrid, Republic of North Macedonia has been investigated in this paper. The analyzed school building is selected as an archetype in an ongoing project named "Seismic vulnerability assessment of existing masonry structures in Republic of North Macedonia (SeismoWall)". Two independent segments were included in this research: Seismic hazard assessment by creating a cite specific response spectra and Seismic vulnerability definition by creating a region - specific series of vulnerability curves for the chosen building topology. A reliable Seismic Hazard Assessment for a selected region is a crucial point for performing a seismic risk analysis of a characteristic building class. In that manner, a scenario - based method that incorporates together the knowledge of tectonic style of the considered region, the active fault characterization, the earth crust model and the historical seismicity named Neo Deterministic approach is used for calculation of the response spectra for the location of the building. Variations of the rupturing process are taken into account in the nucleation point of the rupture, in the rupture velocity pattern and in the istribution of the slip on the fault. The results obtained from the multiple scenarios are obtained as an envelope of the response spectra computed for the cite using the procedure Maximum Credible Seismic Input (MCSI). Capacity of the selected building has been determined by using nonlinear static analysis. MINEA software (SDA Engineering) was used for verification of the structural safety of the chosen unreinforced masonry structure. In the process of optimization of the number of samples, computational cost required in a Monte Carlo simulation is significantly reduced since the simulation is performed on a polynomial response surface function for prediction of the structural response. Performance point, found as the intersection of the capacity of the building and the spectra used, is chosen as a response parameter. Five levels of damage limit states based on the capacity curve of the building are defined in dependency on the yield displacement and the maximum displacement. Maximum likelihood estimation procedure is utilized in the process of vulnerability curves determination. As a result, region specific series of vulnerability curves for the chosen type of masonry structures are defined. The obtained probabilities of exceedance a specific damage states as a result from vulnerability curves are compared with the observed damages happened after the earthquake in July 2017 in the City of Ohrid, North Macedonia.}, language = {en} } @inproceedings{MichelRosinButenwegetal.2020, author = {Michel, Philipp and Rosin, Julia and Butenweg, Christoph and Klinkel, Sven}, title = {Soil-dependent earthquake spectra in the analysis of liquid-storage-tanks on compliant soil}, series = {Seismic design of industrial facilities 2020}, booktitle = {Seismic design of industrial facilities 2020}, publisher = {Apprimus Verlag}, address = {Aachen}, isbn = {978-3-86359-729-0}, pages = {245 -- 254}, year = {2020}, abstract = {A further development of the Added-Mass-Method allows the combined representation of the effects of both soil-structure-interaction and fluid-structure interaction on a liquid-filled-tank in one model. This results in a practical method for describing the dynamic fluid pressure on the tank shell during joint movement. The fluid pressure is calculated on the basis of the tank's eigenform and the earthquake acceleration and represented by additional masses on the shell. The bearing on compliant ground is represented by replacement springs, which are calculated dependent on the local soil composition. The influence of the shear modulus of the compliant soil is clearly visible in the pressure curves and the stress distribution in the shell. The acceleration spectra are also dependent on soil stiffness. According to Eurocode-8 the acceleration spectra are determined for fixed soil-classes, instead of calculating the accelerations for each site in direct dependence on the soil composition. This leads to unrealistic sudden changes in the system's response. Therefore, earthquake spectra are calculated for different soil models in direct dependence of the shear modulus. Thus, both the acceleration spectra and the replacement springs match the soil composition. This enables a reasonable and consistent calculation of the system response for the actual conditions at each site.}, language = {en} } @article{MennickenPeterKaulenetal.2020, author = {Mennicken, Max and Peter, Sophia K. and Kaulen, Corinna and Simon, Ulrich and Karth{\"a}user, Silvia}, title = {Transport through Redox-Active Ru-Terpyridine Complexes Integrated in Single Nanoparticle Devices}, series = {The Journal of Physical Chemistry C}, volume = {124}, journal = {The Journal of Physical Chemistry C}, number = {8}, publisher = {ACS Publications}, address = {Washington, DC}, issn = {1932-7455}, doi = {10.1021/acs.jpcc.9b11716}, pages = {4881 -- 4889}, year = {2020}, abstract = {Transition metal complexes are electrofunctional molecules due to their high conductivity and their intrinsic switching ability involving a metal-to-ligand charge transfer. Here, a method is presented to contact reliably a few to single redox-active Ru-terpyridine complexes in a CMOS compatible nanodevice and preserve their electrical functionality. Using hybrid materials from 14 nm gold nanoparticles (AuNP) and bis-{4′-[4-(mercaptophenyl)-2,2′:6′,2″-terpyridine]}-ruthenium(II) complexes a device size of 30² nm² inclusive nanoelectrodes is achieved. Moreover, this method bears the opportunity for further downscaling. The Ru-complex AuNP devices show symmetric and asymmetric current versus voltage curves with a hysteretic characteristic in two well separated conductance ranges. By theoretical approximations based on the single-channel Landauer model, the charge transport through the formed double-barrier tunnel junction is thoroughly analyzed and its sensibility to the molecule/metal contact is revealed. It can be verified that tunneling transport through the HOMO is the main transport mechanism while decoherent hopping transport is present to a minor extent.}, language = {en} } @inproceedings{MeckMuellerAltherretal.2020, author = {Meck, Marvin M. and M{\"u}ller, Tim M. and Altherr, Lena and Pelz, Peter F.}, title = {Improving an industrial cooling system using MINLP, considering capital and operating costs}, series = {Operations Research Proceedings 2019}, booktitle = {Operations Research Proceedings 2019}, publisher = {Springer}, address = {Cham}, isbn = {978-3-030-48438-5 (Print)}, doi = {10.1007/978-3-030-48439-2_61}, pages = {505 -- 512}, year = {2020}, abstract = {The chemical industry is one of the most important industrial sectors in Germany in terms of manufacturing revenue. While thermodynamic boundary conditions often restrict the scope for reducing the energy consumption of core processes, secondary processes such as cooling offer scope for energy optimisation. In this contribution, we therefore model and optimise an existing cooling system. The technical boundary conditions of the model are provided by the operators, the German chemical company BASF SE. In order to systematically evaluate different degrees of freedom in topology and operation, we formulate and solve a Mixed-Integer Nonlinear Program (MINLP), and compare our optimisation results with the existing system.}, language = {en} } @article{MaurischatPerkins2020, author = {Maurischat, Andreas and Perkins, Rudolph}, title = {Taylor coefficients of Anderson generating functions and Drinfeld torsion extensions}, number = {Vol. 18, No. 01}, publisher = {World Scientific}, address = {Singapur}, doi = {10.1142/S1793042122500099}, pages = {113 -- 130}, year = {2020}, abstract = {We generalize our work on Carlitz prime power torsion extension to torsion extensions of Drinfeld modules of arbitrary rank. As in the Carlitz case, we give a description of these extensions in terms of evaluations of Anderson generating functions and their hyperderivatives at roots of unity. We also give a direct proof that the image of the Galois representation attached to the p-adic Tate module lies in the p-adic points of the motivic Galois group. This is a generalization of the corresponding result of Chang and Papanikolas for the t-adic case.}, language = {en} }