@book{59036, editor = {{Garske, Volker}}, publisher = {{Schöningh}}, title = {{{Wirtschaftsethik und Gerechtigkeit. Interpretationen - Unterrichtsmodell}}}, year = {{2019}}, } @book{59038, editor = {{Garske, Volker}}, publisher = {{Schöningh}}, title = {{{Papst Franziskus I. Interpretationen - Unterrichtsmodell}}}, year = {{2019}}, } @article{60088, author = {{Proschinger, Sebastian and Joisten, Niklas and Rademacher, Annette and Schlagheck, Marit Lea and Walzik, David and Metcalfe, Alan J. and Oberste, Max and Warnke, Clemens and Bloch, Wilhelm and Schenk, Alexander and Bansi, Jens and Zimmer, Philipp}}, issn = {{1471-2377}}, journal = {{BMC Neurology}}, number = {{1}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Influence of combined functional resistance and endurance exercise over 12 weeks on matrix metalloproteinase-2 serum concentration in persons with relapsing-remitting multiple sclerosis – a community-based randomized controlled trial}}}, doi = {{10.1186/s12883-019-1544-7}}, volume = {{19}}, year = {{2019}}, } @article{60089, author = {{Zimmer, P and Bansi, J and Rademacher, A and Schlagheck, ML and Walzik, D and Proschinger, S and Bloch, W and Joisten, N}}, issn = {{0344-5925}}, journal = {{Deutsche Zeitschrift für Sportmedizin}}, number = {{10}}, pages = {{227--234}}, publisher = {{Deutsche Zeitschrift Fur Sportmedizin/German Journal of Sports Medicine}}, title = {{{Exercise-Neuro-Immunology – from bench to bedside}}}, doi = {{10.5960/dzsm.2019.392}}, volume = {{70}}, year = {{2019}}, } @techreport{46453, author = {{Graf-Schlattmann, Marcel and Meister, Dorothee M. and Oevel, Gudrun and Wilde, Melanie}}, title = {{{Digitaler Wandel als strategischer Transformationsprozess – zum allgemeinen und hochschulspezifischen Verständnis der Digitalisierung}}}, year = {{2019}}, } @inbook{13436, author = {{Camberg, Alan Adam and Stratmann, Ina and Tröster, Thomas}}, booktitle = {{Technologies for economical and functional lightweight design}}, isbn = {{9783662582053}}, issn = {{2524-4787}}, title = {{{TAILORED STACKED HYBRIDS – AN OPTIMIZATION-BASED APPROACH IN MATERIAL DESIGN FOR FURTHER IMPROVEMENT IN LIGHTWEIGHT CAR BODY STRUCTURES}}}, doi = {{10.1007/978-3-662-58206-0_12}}, year = {{2019}}, } @article{26224, author = {{Santandrea, Matteo and Stefszky, Michael and Roeland, Ganaël and Silberhorn, Christine}}, issn = {{1367-2630}}, journal = {{New Journal of Physics}}, title = {{{Characterisation of fabrication inhomogeneities in Ti:LiNbO3 waveguides}}}, doi = {{10.1088/1367-2630/ab5cb5}}, year = {{2019}}, } @article{63741, author = {{Thomas, S. E. and Hird, T. M. and Munns, J. H. D. and Brecht, Benjamin and Saunders, D. J. and Nunn, J. and Walmsley, I. A. and Ledingham, P. M.}}, issn = {{2469-9926}}, journal = {{Physical Review A}}, number = {{3}}, publisher = {{American Physical Society (APS)}}, title = {{{Raman quantum memory with built-in suppression of four-wave-mixing noise}}}, doi = {{10.1103/physreva.100.033801}}, volume = {{100}}, year = {{2019}}, } @article{63742, author = {{Gao, S. and Lazo-Arjona, O. and Brecht, Benjamin and Kaczmarek, K. T. and Thomas, S. E. and Nunn, J. and Ledingham, P. M. and Saunders, D. J. and Walmsley, I. A.}}, issn = {{0031-9007}}, journal = {{Physical Review Letters}}, number = {{21}}, publisher = {{American Physical Society (APS)}}, title = {{{Optimal Coherent Filtering for Single Noisy Photons}}}, doi = {{10.1103/physrevlett.123.213604}}, volume = {{123}}, year = {{2019}}, } @inproceedings{16030, author = {{Triebus, Marcel and Bienia, S. and Marten, Thorsten and Tröster, Thomas and Dröder, K.}}, booktitle = {{Proceedings of 7th International Conference Hot Sheet Metal Forming of High-Performance Steel}}, editor = {{Oldenburg, Mats and Hardell, Jens and Casellas, Daniel}}, isbn = {{978-3-95735-104-3}}, location = {{Lulea, Sweden}}, publisher = {{Verlag Wissenschaftliche Scripten}}, title = {{{Press Hardening Integrated Structuring for Hybrid Components}}}, year = {{2019}}, } @techreport{64186, author = {{Marten, Thorsten and Tröster, Thomas and Salomon, Rainer}}, isbn = {{978-3-946885-33-7}}, publisher = {{Verlag und Vertriebsgesellschaft mbH}}, title = {{{P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess}}}, year = {{2019}}, } @article{64035, abstract = {{Trityl and nitroxide radicals are connected by pi-topologically controlled aryl linkers, generating genuinely g-engineered biradicals. They serve as a typical model for biradicals in which the exchange (J) and hyperfine interactions compete with the g-difference electronic Zeeman interactions. The magnetic properties underlying the biradical spin Hamiltonian for solution, including J’s, have been determined by multifrequency CW-ESR and H-1 ENDOR spectroscopy and compared with those obtained by quantum chemical calculations. The experimental J values were in good agreement with the quantum chemical calculations. The g-engineered biradicals have been tested as a prototype for AWG (Arbitrary Wave Generator)-based spin manipulation techniques, which enable GRAPE (GRAdient Pulse Engineering) microwave control of spins in molecular magnetic resonance spectroscopy for use in molecular spin quantum computers, demonstrating efficient signal enhancement of specific weakened hyperfine signals. Dynamic nuclear polarization (DNP) effects of the biradicals for 400 MHz nuclear magnetic resonance signal enhancement have been examined, giving efficiency factors of 30 for H-1 and 27.8 for C-13 nuclei. The marked DNP results show the feasibility of these biradicals for hyperpolarization.}}, author = {{Sato, K. and Hirao, R. and Timofeev, I. and Krumkacheva, O. and Zaytseva, E. and Rogozhnikova, O. and Tormyshev, V. M. and Trukhin, D. and Bagryanskaya, E. and Gutmann, Torsten and Klimavicius, C. and Buntkowsky, G. and Sugisaki, K. and Nakazawa, S. and Matsuoka, H. and Toyota, K. and Shiomi, D. and Takui, T.}}, journal = {{Journal of Physical Chemistry A}}, number = {{34}}, pages = {{7507–7517}}, title = {{{Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations}}}, doi = {{10.1021/acs.jpca.9b07169}}, volume = {{123}}, year = {{2019}}, } @article{64038, abstract = {{An efficient approach for the characterization of core–shell polymer hybrid nanoparticles is presented. Selective signal amplification by dynamic nuclear polarization (DNP) is employed to shed more light on the molecular structure of surface sites and shell of the particles. DNP-enhanced 29Si solid-state NMR is used to clearly prove the core–shell structure of the nanoparticles as well as the success of their functionalization with low amounts of trimethylsiloxy groups. By combination of DNP-enhanced 1H → 29Si and 1H → 13C cross-polarization magic-angle-spinning experiments, differently substituted alkoxysilane moieties, namely, methacryloxypropyltriethoxysilane, 3-methacryloxypropyltriisopropoxysilane, and 3-methacryloxypropyltris(methoxyethoxy)silane, are investigated, revealing various cross-linking capabilities of the particle shell. This knowledge about efficiency of surface functionalization and cross-linking sites strongly influences the application and properties of the core–shell polymer hybrid particles, for instance, as materials for photonic crystals, particle film formation, and coatings. This is of high importance for the design of tailor-made core–shell particle architectures.}}, author = {{Schäfer, Timmy and Vowinkel, Steffen and Breitzke, Hergen and Gallei, Markus and Gutmann, Torsten}}, issn = {{1932-7447}}, journal = {{Journal of Physical Chemistry C}}, number = {{1}}, pages = {{644–652}}, publisher = {{American Chemical Society}}, title = {{{Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles}}}, doi = {{10.1021/acs.jpcc.8b07969}}, volume = {{123}}, year = {{2019}}, } @article{64033, abstract = {{Abstract The reactions of three metal nanoparticle (MNP) systems Ru/dppb, RuPt/dppb, Pt/dppb (dppb=1,4-bis(diphenylphosphino)butane) with gaseous D2 at room temperature and different gas pressures have been studied using 1H gas phase NMR, GC-MS and solid state 13C and 31P MAS NMR. The main product is gaseous HD arising from the reaction of D2 with surface hydrogen sites created during the synthesis of the nanoparticles. In a side reaction, some of the dppb ligands are decomposed producing surface phosphorus species and gaseous partially deuterated butane and cyclohexane. These findings are fundamental for detailed studies of the reaction kinetics of these particles towards H2 or D2 gas.}}, author = {{Rothermel, Niels and Röther, Tobias and Ayvalı, Tuğçe and Martínez-Prieto, Luis M. and Philippot, Karine and Limbach, Hans-Heinrich and Chaudret, Bruno and Gutmann, Torsten and Buntkowsky, Gerd}}, journal = {{ChemCatChem}}, number = {{5}}, pages = {{1465–1471}}, title = {{{Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state NMR Study}}}, doi = {{10.1002/cctc.201801981}}, volume = {{11}}, year = {{2019}}, } @article{64018, abstract = {{CO oxidation is an extensively studied reaction in heterogeneous catalysis due to its seeming simplicity and its great importance for emission control. However, the role of particle size and more specifically structure sensitivity in this reaction is still controversial. In the present study, colloidal “surfactant-free” Pt nanoparticles (NPs) in a size regime of 1–4 nm with narrow size distribution and control over particle size were synthesized and subsequently supported on Al2O3 to prepare model catalysts. CO oxidation was performed using Pt NPs catalysts with particles sizes of 1, 2, 3, and 4 nm at different reaction temperatures. It is shown that the reaction exhibits a particle size effect that depends strongly on the reaction conditions. At 170 °C, the reaction seems to proceed within the same kinetic regime for all particle sizes, but the surface normalized activity depends strongly on the particle size, with maximum activity for nanoparticles 2 nm in diameter. A temperature increase to 200 °C leads to a change of the kinetic regime that depends on the particle size. For Pt NPs 1 nm in diameter a reaction order of 1 for O2 was observed, indicating that O2 adsorbs molecularly and dissociates in a following step, which represents the generally accepted mechanism on Pt surfaces. The reaction order of −1 for CO demonstrates that the surface is saturated with CO under reaction conditions. With increasing particle size, the reaction orders of O2 and CO change. For particles 2 nm in size, an increase in temperature also results in reaction orders of 1 for O2 and −1 for CO; NPs of 3 and 4 nm, even at higher temperatures, show no clear kinetic behavior that can be explained by a single reaction mechanism. Instead, the Boudouard reaction between two adjacent adsorbed CO molecules was identified as an important additional reaction pathway that occurs preferentially on large particles and causes more complex kinetics.}}, author = {{Neumann, Sarah and Gutmann, Torsten and Buntkowsky, Gerd and Paul, Stephen and Thiele, Greg and Sievers, Heiko and Bäumer, Marcus and Kunz, Sebastian}}, journal = {{Journal of Catalysis}}, keywords = {{Solid state NMR, “Surfactant-free” platinum nanoparticles, CO oxidation, Particle size effect, Structure sensitivity}}, pages = {{662–672}}, title = {{{Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts}}}, doi = {{10.1016/j.jcat.2019.07.049}}, volume = {{377}}, year = {{2019}}, } @article{64019, abstract = {{A chiral zirconium-based catalyst, DUT-67-Pro containing 8-connected Zr6-clusters is obtained by post synthetic functionalization of Zr6O6(OH)2(TDC)4(HCOO)2 (DUT-67, TDC = 2,5-thiophenedicarboxylate) with the chiral monocarboxylic acid, L-proline. 13C and 15N solid state MAS and DNP NMR studies of DUT-67-Pro confirm the integration of L-proline into the porous framework. The chiral MOF catalyst exhibits an excellent catalytic activity at low temperature (298 K) with an unprecedented syn-(S,S)-product selectivity in an asymmetric aldol addition reaction of cyclohexanone to 4-nitrobenzaldehyde (yield = 95%, ee = 96%). Comparative catalytic studies using a molecular Zr6-cluster model compound indicate the Zr6-moiety to be responsible for this inverse diastereoselectivity compared to well-established L-proline organocatalysis and a mechanism is proposed to explain the Zr6-cluster-mediated syn-selectivity. Masking residual acidic active sites in the cluster of the framework was found to be a key prerequisite to achieve the high enantioselectivity. The purely heterogeneous catalytic system based on DUT-67-Pro is highly stable and can be recycled several times.}}, author = {{Nguyen, Khoa D. and Kutzscher, Christel and Ehrling, Sebastian and Senkovska, Irena and Bon, Volodymyr and Oliveira, Marcos and Gutmann, Torsten and Buntkowsky, Gerd and Kaskel, Stefan}}, journal = {{Journal of Catalysis}}, keywords = {{-proline, -selective aldol reaction, Chirality, Metal-organic framework, Zirconium}}, pages = {{41–50}}, title = {{{Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity}}}, doi = {{10.1016/j.jcat.2019.07.003}}, volume = {{377}}, year = {{2019}}, } @article{64023, abstract = {{The structure of vanadium oxide (VOx) species in vanadium containing MCM-41 catalysts prepared by co-condensation or grafting, respectively, was investigated by a combination of Raman scattering, UV-vis diffuse reflectance, ATR-IR, and magic angle spinning (MAS) 51V as well as 29Si NMR spectroscopy techniques. Simulations of the 51V MAS NMR spectra allowed the determination of chemical shift and quadrupole tensor parameters, which give valuable information about the nature of the VOx units. Structural transformations of the supported vanadium oxide species for the catalyst in the dehydrated state and hydrated state were investigated to examine the effect of water molecules on the VOx structures. The results reveal the presence of different VOx structures for the hydrated samples, including dimeric species, oligomeric chains and isolated trigonal pyramid units. Upon dehydration, the predominance of oligomeric and/or dimeric units for the sample prepared by grafting was observed, while a considerable amount of isolated units was additionally detected for the sample prepared by co-condensation.}}, author = {{Oliveira, Marcos and Seeburg, Dominik and Weiß, Jana and Wohlrab, Sebastian and Buntkowsky, Gerd and Bentrup, Ursula and Gutmann, Torsten}}, issn = {{2044-4753}}, journal = {{Catalysis Science & Technology}}, number = {{21}}, pages = {{6180–6190}}, publisher = {{The Royal Society of Chemistry}}, title = {{{Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR}}}, doi = {{10.1039/C9CY01410A}}, volume = {{9}}, year = {{2019}}, } @article{64001, abstract = {{FSLG CPMAS HETCOR is a 2D solid-state NMR experiment which provides structural information and conformational correlation between a 1H and an X-nucleus. However, practical application of the experiment suffers from the chemical shift referencing problem on the indirect 1H dimension. In our paper, we present a novel 1H–1H MAS FSLG-based approach and its application to reference the FSLG CPMAS HETCOR which overcomes the 1H referencing in the 2D 1H-X HETCOR experiment. This approach works excellently irrespective of the sample type over a wide range of temperature.}}, author = {{Kumari, Bharti and Brodrecht, Martin and Gutmann, Torsten and Breitzke, Hergen and Buntkowsky, Gerd}}, issn = {{1613-7507}}, journal = {{Applied Magnetic Resonance}}, number = {{12}}, pages = {{1399–1407}}, title = {{{Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG}}}, doi = {{10.1007/s00723-019-01156-2}}, volume = {{50}}, year = {{2019}}, } @article{63991, abstract = {{A series of 1 and 2 nm sized platinum nanoparticles (Pt-NPs) deposited on different support materials, namely, gamma-alumina (gamma-Al2O3), titanium dioxide (TiO2), silicon dioxide (SiO2) and fumed silica are investigated by solid-state NMR and dynamic nuclear polarization enhanced NMR spectroscopy (DNP). DNP signal enhancement factors up to 170 enable gaining deeper insight into the surface chemistry of Pt-NPs. Carbon monoxide is used as a probe molecule to analyze the adsorption process and the surface chemistry on the supported Pt-NPs. The studied systems show significant catalytic activity in carbon monoxide oxidation on their surface at room temperature. The underlying catalytic mechanism is the water-gas shift reaction. In the case of alumina as the support the produced CO2 reacts with the surface to form carbonate, which is revealed by solid-state NMR. A similar carbonate formation is also observed when physical mixtures of neat alumina with silica, fumed silica and titania supported Pt-NPs are studied.}}, author = {{Klimavicius, V. and Neumann, S. and Kunz, S. and Gutmann, Torsten and Buntkowsky, G.}}, issn = {{2044-4753}}, journal = {{Catalysis Science & Technology}}, keywords = {{Chemistry, gamma-alumina, hydrogenation, silica, c-13, interactions, metal-catalysts, particle-size, platinum nanoparticles, sites, surface, water-gas shift}}, number = {{14}}, pages = {{3743–3752}}, title = {{{Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy}}}, doi = {{10.1039/c9cy00684b}}, volume = {{9}}, year = {{2019}}, } @article{63969, abstract = {{A number of Ir-N-heterocyclic carbene (Ir-NHC) complexes with asymmetric N-heterocyclic carbene (NHC) ligands have been prepared and examined for signal amplification by reversible exchange (SABRE). Pyridine was chosen as model compound for hyperpolarization experiments. This substrate was examined in a solvent mixture using several Ir-NHC complexes, which differ in their NHC ligands. The SABRE polarization was created at 6mT and the H-1 nuclear magnetic resonancesignals were detected at 7T. We show that asymmetric NHC ligands, because of their favorable chemistry, can adapt the SABREactive complexes to different chemical scenarios.}}, author = {{Hadjiali, S. and Savka, R. and Plaumann, M. and Bommerich, U. and Bothe, S. and Gutmann, Torsten and Ratajczyk, T. and Bernarding, J. and Limbach, H. H. and Plenio, H. and Buntkowsky, G.}}, issn = {{1613-7507}}, journal = {{Applied Magnetic Resonance}}, keywords = {{dynamic nuclear-polarization, hyperpolarization, enhancement, hydrogen induced polarization, olefin-metathesis catalysts, parahydrogen-induced polarization, peptides, Physics, sabre, spectroscopy}}, number = {{7}}, pages = {{895–902}}, title = {{{Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands}}}, doi = {{10.1007/s00723-019-01115-x}}, volume = {{50}}, year = {{2019}}, }