[{"publisher":"SCITEPRESS","date_created":"2021-09-10T12:19:14Z","title":"Online State Estimation for Microscopic Traffic Simulations using Multiple Data Sources*","quality_controlled":"1","year":"2021","keyword":["Microscopic Traffic Simulation","Online State Estimation","Mixed Road Users","Sensor Fusion","Integer Programming","Route Choice","Vehicle2Infrastructure"],"language":[{"iso":"eng"}],"publication":"VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems","abstract":[{"lang":"eng","text":"The online fitting of a microscopic traffic simulation model to reconstruct the current state of a real traffic\r\narea can be challenging depending on the provided data. This paper presents a novel method based on limited\r\ndata from sensors positioned at specific locations and guarantees a general accordance of reality and\r\nsimulation in terms of multimodal road traffic counts and vehicle speeds. In these considerations, the actual\r\npurpose of research is of particular importance. Here, the research aims at improving the traffic flow by\r\ncontrolling the Traffic Light Systems (TLS) of the examined area which is why the current traffic state and\r\nthe route choices of individual road users are the matter of interest. An integer optimization problem is derived\r\nto fit the current simulation to the latest field measurements. The concept can be transferred to any road traffic\r\nnetwork and results in an observation of the current multimodal traffic state matching at the given sensor\r\nposition. First case studies show promosing results in terms of deviations between reality and simulation."}],"date_updated":"2026-01-26T08:49:53Z","author":[{"id":"36303","full_name":"Malena, Kevin","orcid":"0000-0003-1183-4679","last_name":"Malena","first_name":"Kevin"},{"id":"38249","full_name":"Link, Christopher","last_name":"Link","first_name":"Christopher"},{"last_name":"Mertin","full_name":"Mertin, Sven","id":"13195","first_name":"Sven"},{"first_name":"Sandra","last_name":"Gausemeier","id":"17793","full_name":"Gausemeier, Sandra"},{"first_name":"Ansgar","id":"552","full_name":"Trächtler, Ansgar","last_name":"Trächtler"}],"volume":7,"main_file_link":[{"url":"https://www.scitepress.org/PublicationsDetail.aspx?ID=3xZWfOSENWk=&t=1"}],"conference":{"start_date":"2021-04-28","name":"7th International Conference on Vehicle Technology and Intelligent Transport Systems","location":"Online Streaming","end_date":"2021-04-30"},"publication_status":"published","publication_identifier":{"isbn":["978-989-758-513-5"]},"related_material":{"link":[{"relation":"confirmation","url":"https://www.scitepress.org/PublicationsDetail.aspx?ID=3xZWfOSENWk=&t=1"}],"record":[{"status":"public","id":"33849","relation":"is_continued_by"}]},"place":"Portugal","citation":{"ieee":"K. Malena, C. Link, S. Mertin, S. Gausemeier, and A. Trächtler, “Online State Estimation for Microscopic Traffic Simulations using Multiple Data Sources*,” in <i>VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems</i>, Online Streaming, 2021, vol. 7, pp. 386–395.","chicago":"Malena, Kevin, Christopher Link, Sven Mertin, Sandra Gausemeier, and Ansgar Trächtler. “Online State Estimation for Microscopic Traffic Simulations Using Multiple Data Sources*.” In <i>VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems</i>, 7:386–95. VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems. Portugal: SCITEPRESS, 2021.","ama":"Malena K, Link C, Mertin S, Gausemeier S, Trächtler A. Online State Estimation for Microscopic Traffic Simulations using Multiple Data Sources*. In: <i>VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems</i>. Vol 7. VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems. SCITEPRESS; 2021:386-395.","apa":"Malena, K., Link, C., Mertin, S., Gausemeier, S., &#38; Trächtler, A. (2021). Online State Estimation for Microscopic Traffic Simulations using Multiple Data Sources*. <i>VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems</i>, <i>7</i>, 386–395.","bibtex":"@inproceedings{Malena_Link_Mertin_Gausemeier_Trächtler_2021, place={Portugal}, series={VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems}, title={Online State Estimation for Microscopic Traffic Simulations using Multiple Data Sources*}, volume={7}, booktitle={VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems}, publisher={SCITEPRESS}, author={Malena, Kevin and Link, Christopher and Mertin, Sven and Gausemeier, Sandra and Trächtler, Ansgar}, year={2021}, pages={386–395}, collection={VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems} }","mla":"Malena, Kevin, et al. “Online State Estimation for Microscopic Traffic Simulations Using Multiple Data Sources*.” <i>VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems</i>, vol. 7, SCITEPRESS, 2021, pp. 386–95.","short":"K. Malena, C. Link, S. Mertin, S. Gausemeier, A. Trächtler, in: VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems, SCITEPRESS, Portugal, 2021, pp. 386–395."},"intvolume":"         7","page":"386-395","project":[{"_id":"688","name":"Pilotprojekt \"Schlosskreuzung\""}],"_id":"24159","series_title":"VEHITS 2021 Proceedings of the 7th International Conference on Vehicle Technology and Intelligent Transport Systems","user_id":"36303","department":[{"_id":"153"}],"type":"conference","status":"public"},{"language":[{"iso":"eng"}],"keyword":["Cascaded H-Bridge","Solid-State Transformer","Capacitor voltage ripple","Zero sequence voltage","Full-Bridge"],"user_id":"34289","department":[{"_id":"52"}],"_id":"29940","status":"public","abstract":[{"lang":"eng","text":"A full-bridge modular multilevel converter (MMC) is compared to a half-bridge-based MMC for high-current low-voltage DC-applications such as electrolysis, arc welding or datacenters with DC-power distribution. Usually, modular multilevel converters are used in high-voltage DC-applications (HVDC) in the multiple kV-range, but to meet the needs of a high-current demand at low output voltage levels, the modular converter concept requires adaptations. In the proposed concept, the MMC is used to step-down the three-phase medium-voltage of 10 kV. Therefore, each module is extended by an LLC resonant converter to adapt to the specific electrolyzers DC-voltage range of 142-220V and to provide galvanic isolation. The proposed MMC converter with full-bridge modules uses half the number of modules compared to a half-bridge-based MMC while reducing the voltage ripple by 78% and capacitor losses by 64% by rearranging the same components to ensure identical costs and volume. For additional reliability, a new robust algorithm for balancing conduction losses during the bypass phase is presented."}],"type":"conference","publication":"PCIM Europe digital days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management","main_file_link":[{"url":"https://ieeexplore.ieee.org/abstract/document/9178138"}],"conference":{"location":"Germany","end_date":"2020-07-08","start_date":"2020-07-07","name":"PCIM Europe digital days 2020"},"title":"1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications","author":[{"first_name":"Roland","id":"34289","full_name":"Unruh, Roland","last_name":"Unruh"},{"id":"71291","full_name":"Schafmeister, Frank","last_name":"Schafmeister","first_name":"Frank"},{"full_name":"Fröhleke, Norbert","last_name":"Fröhleke","first_name":"Norbert"},{"orcid":"0000-0002-8480-7295","last_name":"Böcker","id":"66","full_name":"Böcker, Joachim","first_name":"Joachim"}],"date_created":"2022-02-21T16:42:30Z","date_updated":"2023-10-20T11:52:39Z","publisher":"VDE","citation":{"ama":"Unruh R, Schafmeister F, Fröhleke N, Böcker J. 1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications. In: <i>PCIM Europe Digital Days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management</i>. VDE; 2020.","ieee":"R. Unruh, F. Schafmeister, N. Fröhleke, and J. Böcker, “1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications,” presented at the PCIM Europe digital days 2020, Germany, 2020.","chicago":"Unruh, Roland, Frank Schafmeister, Norbert Fröhleke, and Joachim Böcker. “1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications.” In <i>PCIM Europe Digital Days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management</i>. VDE, 2020.","bibtex":"@inproceedings{Unruh_Schafmeister_Fröhleke_Böcker_2020, title={1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications}, booktitle={PCIM Europe digital days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management}, publisher={VDE}, author={Unruh, Roland and Schafmeister, Frank and Fröhleke, Norbert and Böcker, Joachim}, year={2020} }","short":"R. Unruh, F. Schafmeister, N. Fröhleke, J. Böcker, in: PCIM Europe Digital Days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management, VDE, 2020.","mla":"Unruh, Roland, et al. “1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications.” <i>PCIM Europe Digital Days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management</i>, VDE, 2020.","apa":"Unruh, R., Schafmeister, F., Fröhleke, N., &#38; Böcker, J. (2020). 1-MW Full-Bridge MMC for High-Current Low-Voltage (100V-400V) DC-Applications. <i>PCIM Europe Digital Days 2020; International Exhibition and Conference for Power Electronics, Intelligent Motion, Renewable Energy and Energy Management</i>. PCIM Europe digital days 2020, Germany."},"year":"2020","publication_status":"published","publication_identifier":{"isbn":["978-3-8007-5245-4"]}},{"doi":"10.11938/cjmr20182685 ","title":"Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals ","date_created":"2023-01-06T17:29:26Z","author":[{"first_name":"Ming-xue","last_name":"Tang","full_name":"Tang, Ming-xue"},{"first_name":"Claudia","last_name":"Schmidt","orcid":"0000-0003-3179-9997","full_name":"Schmidt, Claudia","id":"466"}],"volume":36,"date_updated":"2023-01-07T10:31:24Z","citation":{"bibtex":"@article{Tang_Schmidt_2019, title={Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals }, volume={36}, DOI={<a href=\"https://doi.org/10.11938/cjmr20182685 \">10.11938/cjmr20182685 </a>}, journal={Chinese Journal of Magnetic Resonance}, author={Tang, Ming-xue and Schmidt, Claudia}, year={2019}, pages={138–147} }","mla":"Tang, Ming-xue, and Claudia Schmidt. “Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals .” <i>Chinese Journal of Magnetic Resonance</i>, vol. 36, 2019, pp. 138–47, doi:<a href=\"https://doi.org/10.11938/cjmr20182685 \">10.11938/cjmr20182685 </a>.","short":"M. Tang, C. Schmidt, Chinese Journal of Magnetic Resonance 36 (2019) 138–147.","apa":"Tang, M., &#38; Schmidt, C. (2019). Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals . <i>Chinese Journal of Magnetic Resonance</i>, <i>36</i>, 138–147. <a href=\"https://doi.org/10.11938/cjmr20182685 \">https://doi.org/10.11938/cjmr20182685 </a>","ama":"Tang M, Schmidt C. Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals . <i>Chinese Journal of Magnetic Resonance</i>. 2019;36:138-147. doi:<a href=\"https://doi.org/10.11938/cjmr20182685 \">10.11938/cjmr20182685 </a>","ieee":"M. Tang and C. Schmidt, “Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals ,” <i>Chinese Journal of Magnetic Resonance</i>, vol. 36, pp. 138–147, 2019, doi: <a href=\"https://doi.org/10.11938/cjmr20182685 \">10.11938/cjmr20182685 </a>.","chicago":"Tang, Ming-xue, and Claudia Schmidt. “Estimation of Nematic Order Parameters via Haller Analysis of 1H NMR Spectra of Liquid Crystals .” <i>Chinese Journal of Magnetic Resonance</i> 36 (2019): 138–47. <a href=\"https://doi.org/10.11938/cjmr20182685 \">https://doi.org/10.11938/cjmr20182685 </a>."},"intvolume":"        36","page":"138-147","year":"2019","related_material":{"link":[{"url":"http://121.43.60.238/bpxzz/EN/10.11938/cjmr20182685","relation":"research_paper"}]},"quality_controlled":"1","language":[{"iso":"eng"}],"article_type":"original","keyword":["nematic liquid crystal","order parameter","Haller analysis","1H NMR"],"user_id":"466","department":[{"_id":"2"},{"_id":"315"}],"_id":"35398","status":"public","abstract":[{"text":"The Haller relationship was applied to estimate the nematic order parameter S from 1H NMR spectra of fully protonated liquid crystals aligned in the magnetic field. The NMR line shapes were approximated as doublets of very broad peaks. Both the temperature-dependent doublet Splitting and the full width at half maximum of the whole spectra were used for Haller extrapolation. The order parameters obtained with the proposed approach for 4-cyano-4'-pentylbiphenyl (5CB) and the nematic mixture E7 were found to be in good agreement with previously reports.","lang":"eng"}],"type":"journal_article","publication":"Chinese Journal of Magnetic Resonance"},{"_id":"64018","user_id":"100715","keyword":["Solid state NMR","“Surfactant-free” platinum nanoparticles","CO oxidation","Particle size effect","Structure sensitivity"],"extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"Journal of Catalysis","abstract":[{"text":"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.","lang":"eng"}],"status":"public","date_updated":"2026-02-17T16:14:45Z","date_created":"2026-02-07T16:02:06Z","author":[{"full_name":"Neumann, Sarah","last_name":"Neumann","first_name":"Sarah"},{"first_name":"Torsten","last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"last_name":"Paul","full_name":"Paul, Stephen","first_name":"Stephen"},{"first_name":"Greg","last_name":"Thiele","full_name":"Thiele, Greg"},{"last_name":"Sievers","full_name":"Sievers, Heiko","first_name":"Heiko"},{"first_name":"Marcus","full_name":"Bäumer, Marcus","last_name":"Bäumer"},{"full_name":"Kunz, Sebastian","last_name":"Kunz","first_name":"Sebastian"}],"volume":377,"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","year":"2019","citation":{"ieee":"S. Neumann <i>et al.</i>, “Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts,” <i>Journal of Catalysis</i>, vol. 377, pp. 662–672, 2019, doi: <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>.","chicago":"Neumann, Sarah, Torsten Gutmann, Gerd Buntkowsky, Stephen Paul, Greg Thiele, Heiko Sievers, Marcus Bäumer, and Sebastian Kunz. “Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” <i>Journal of Catalysis</i> 377 (2019): 662–672. <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">https://doi.org/10.1016/j.jcat.2019.07.049</a>.","ama":"Neumann S, Gutmann T, Buntkowsky G, et al. Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts. <i>Journal of Catalysis</i>. 2019;377:662–672. doi:<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>","bibtex":"@article{Neumann_Gutmann_Buntkowsky_Paul_Thiele_Sievers_Bäumer_Kunz_2019, title={Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts}, volume={377}, DOI={<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>}, journal={Journal of Catalysis}, author={Neumann, Sarah and Gutmann, Torsten and Buntkowsky, Gerd and Paul, Stephen and Thiele, Greg and Sievers, Heiko and Bäumer, Marcus and Kunz, Sebastian}, year={2019}, pages={662–672} }","short":"S. Neumann, T. Gutmann, G. Buntkowsky, S. Paul, G. Thiele, H. Sievers, M. Bäumer, S. Kunz, Journal of Catalysis 377 (2019) 662–672.","mla":"Neumann, Sarah, et al. “Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” <i>Journal of Catalysis</i>, vol. 377, 2019, pp. 662–672, doi:<a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">10.1016/j.jcat.2019.07.049</a>.","apa":"Neumann, S., Gutmann, T., Buntkowsky, G., Paul, S., Thiele, G., Sievers, H., Bäumer, M., &#38; Kunz, S. (2019). Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts. <i>Journal of Catalysis</i>, <i>377</i>, 662–672. <a href=\"https://doi.org/10.1016/j.jcat.2019.07.049\">https://doi.org/10.1016/j.jcat.2019.07.049</a>"},"page":"662–672","intvolume":"       377"},{"extern":"1","language":[{"iso":"eng"}],"keyword":["solid-state nmr","heterogeneous catalysis","dynamic nuclear polarization","Ferroelectrics","Nanocatalysis","Surface reactions"],"user_id":"100715","_id":"63960","status":"public","abstract":[{"text":"Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy and dynamic nuclear polarization (DNP) of nanostructured materials are reviewed. A first group of materials is based on crystalline nanocellulose (CNC) or microcrystalline cellulose (MCC), which are used as carrier materials for dye molecules, catalysts or in combination with heterocyclic molecules as ion conducting membranes. These materials have widespread applications in sensorics, optics, catalysis or fuel cell research. A second group are metal oxides such as V-Mo-W oxides, which are of enormous importance in the manufacturing process of basic chemicals. The third group are catalytically active nanocrystalline metal nanoparticles, coated with protectants or embedded in polymers. The last group includes of lead-free perovskite materials, which are employed as environmentally benign substitution materials for conventional lead-based electronics materials. These materials are discussed in terms of their application and physico-chemical characterization by solid-state NMR techniques, combined with gas-phase NMR and quantum-chemical modelling on the density functional theory (DFT) level. The application of multinuclear 1H, 2H, 13C, 15N and 23Na solid state NMR techniques under static or MAS conditions for the characterization of these materials, their surfaces and processes on their surfaces is discussed. Moreover, the analytic power of the combination of these techniques with DNP for the identification of low-concentrated carbon and nitrogen containing surface species in natural abundance is reviewed. Finally, approaches for sensitivity enhancement by DNP of quadrupolar nuclei such as 17O and 51V are presented that enable the identification of catalytic sites in metal oxide catalysts.","lang":"eng"}],"publication":"Annual Reports on NMR Spectroscopy","type":"journal_article","doi":"10.1016/bs.arnmr.2018.12.001","title":"Solid-state NMR of nanocrystals","volume":97,"date_created":"2026-02-07T15:37:03Z","author":[{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"last_name":"Groszewicz","full_name":"Groszewicz, Pedro B.","first_name":"Pedro B."},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_updated":"2026-02-17T16:17:56Z","intvolume":"        97","page":"1–82","citation":{"apa":"Gutmann, T., Groszewicz, P. B., &#38; Buntkowsky, G. (2019). Solid-state NMR of nanocrystals. <i>Annual Reports on NMR Spectroscopy</i>, <i>97</i>, 1–82. <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>","bibtex":"@article{Gutmann_Groszewicz_Buntkowsky_2019, title={Solid-state NMR of nanocrystals}, volume={97}, DOI={<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>}, journal={Annual Reports on NMR Spectroscopy}, author={Gutmann, Torsten and Groszewicz, Pedro B. and Buntkowsky, Gerd}, year={2019}, pages={1–82} }","short":"T. Gutmann, P.B. Groszewicz, G. Buntkowsky, Annual Reports on NMR Spectroscopy 97 (2019) 1–82.","mla":"Gutmann, Torsten, et al. “Solid-State NMR of Nanocrystals.” <i>Annual Reports on NMR Spectroscopy</i>, vol. 97, 2019, pp. 1–82, doi:<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>.","ama":"Gutmann T, Groszewicz PB, Buntkowsky G. Solid-state NMR of nanocrystals. <i>Annual Reports on NMR Spectroscopy</i>. 2019;97:1–82. doi:<a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>","ieee":"T. Gutmann, P. B. Groszewicz, and G. Buntkowsky, “Solid-state NMR of nanocrystals,” <i>Annual Reports on NMR Spectroscopy</i>, vol. 97, pp. 1–82, 2019, doi: <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">10.1016/bs.arnmr.2018.12.001</a>.","chicago":"Gutmann, Torsten, Pedro B. Groszewicz, and Gerd Buntkowsky. “Solid-State NMR of Nanocrystals.” <i>Annual Reports on NMR Spectroscopy</i> 97 (2019): 1–82. <a href=\"https://doi.org/10.1016/bs.arnmr.2018.12.001\">https://doi.org/10.1016/bs.arnmr.2018.12.001</a>."},"year":"2019"},{"department":[{"_id":"623"},{"_id":"7"}],"user_id":"71541","_id":"8167","type":"journal_article","status":"public","volume":10,"author":[{"first_name":"Sevag","full_name":"Gharibian, Sevag","id":"71541","last_name":"Gharibian","orcid":"0000-0002-9992-3379"},{"first_name":"Jamie","last_name":"Sikora","full_name":"Sikora, Jamie"}],"date_updated":"2023-02-28T11:01:36Z","oa":"1","doi":"10.1145/3186587","main_file_link":[{"url":"https://arxiv.org/abs/1409.3182","open_access":"1"}],"publication_identifier":{"issn":["1942-3454"]},"publication_status":"published","intvolume":"        10","page":"8:1-8:28","citation":{"bibtex":"@article{Gharibian_Sikora_2018, title={Ground State Connectivity of Local Hamiltonians}, volume={10}, DOI={<a href=\"https://doi.org/10.1145/3186587\">10.1145/3186587</a>}, number={2}, journal={ACM Transactions on Computation Theory (TOCT)}, publisher={ACM}, author={Gharibian, Sevag and Sikora, Jamie}, year={2018}, pages={8:1-8:28} }","short":"S. Gharibian, J. Sikora, ACM Transactions on Computation Theory (TOCT) 10 (2018) 8:1-8:28.","mla":"Gharibian, Sevag, and Jamie Sikora. “Ground State Connectivity of Local Hamiltonians.” <i>ACM Transactions on Computation Theory (TOCT)</i>, vol. 10, no. 2, ACM, 2018, p. 8:1-8:28, doi:<a href=\"https://doi.org/10.1145/3186587\">10.1145/3186587</a>.","apa":"Gharibian, S., &#38; Sikora, J. (2018). Ground State Connectivity of Local Hamiltonians. <i>ACM Transactions on Computation Theory (TOCT)</i>, <i>10</i>(2), 8:1-8:28. <a href=\"https://doi.org/10.1145/3186587\">https://doi.org/10.1145/3186587</a>","ieee":"S. Gharibian and J. Sikora, “Ground State Connectivity of Local Hamiltonians,” <i>ACM Transactions on Computation Theory (TOCT)</i>, vol. 10, no. 2, p. 8:1-8:28, 2018, doi: <a href=\"https://doi.org/10.1145/3186587\">10.1145/3186587</a>.","chicago":"Gharibian, Sevag, and Jamie Sikora. “Ground State Connectivity of Local Hamiltonians.” <i>ACM Transactions on Computation Theory (TOCT)</i> 10, no. 2 (2018): 8:1-8:28. <a href=\"https://doi.org/10.1145/3186587\">https://doi.org/10.1145/3186587</a>.","ama":"Gharibian S, Sikora J. Ground State Connectivity of Local Hamiltonians. <i>ACM Transactions on Computation Theory (TOCT)</i>. 2018;10(2):8:1-8:28. doi:<a href=\"https://doi.org/10.1145/3186587\">10.1145/3186587</a>"},"external_id":{"arxiv":["1409.3182"]},"language":[{"iso":"eng"}],"keyword":["Local Hamiltonian","ground state connectivity","quantum Hamiltonian complexity","reconfiguration problem"],"publication":"ACM Transactions on Computation Theory (TOCT)","date_created":"2019-03-01T11:49:31Z","publisher":"ACM","title":"Ground State Connectivity of Local Hamiltonians","issue":"2","year":"2018"},{"doi":"10.1039/c8cy01493k","title":"Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation","date_created":"2026-02-07T15:57:34Z","author":[{"last_name":"Liu","full_name":"Liu, J. Q.","first_name":"J. Q."},{"first_name":"Y. P.","last_name":"Xu","full_name":"Xu, Y. P."},{"full_name":"Groszewicz, P. B.","last_name":"Groszewicz","first_name":"P. B."},{"last_name":"Brodrecht","full_name":"Brodrecht, M.","first_name":"M."},{"first_name":"C.","full_name":"Fasel, C.","last_name":"Fasel"},{"last_name":"Hofmann","full_name":"Hofmann, K.","first_name":"K."},{"full_name":"Tan, X. J.","last_name":"Tan","first_name":"X. J."},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"first_name":"G.","last_name":"Buntkowsky","full_name":"Buntkowsky, G."}],"volume":8,"date_updated":"2026-02-17T16:15:22Z","citation":{"ieee":"J. Q. Liu <i>et al.</i>, “Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation,” <i>Catalysis Science &#38; Technology</i>, vol. 8, no. 20, pp. 5190–5200, 2018, doi: <a href=\"https://doi.org/10.1039/c8cy01493k\">10.1039/c8cy01493k</a>.","chicago":"Liu, J. Q., Y. P. Xu, P. B. Groszewicz, M. Brodrecht, C. Fasel, K. Hofmann, X. J. Tan, Torsten Gutmann, and G. Buntkowsky. “Novel Dirhodium Coordination Polymers: The Impact of Side Chains on Cyclopropanation.” <i>Catalysis Science &#38; Technology</i> 8, no. 20 (2018): 5190–5200. <a href=\"https://doi.org/10.1039/c8cy01493k\">https://doi.org/10.1039/c8cy01493k</a>.","ama":"Liu JQ, Xu YP, Groszewicz PB, et al. Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation. <i>Catalysis Science &#38; Technology</i>. 2018;8(20):5190–5200. doi:<a href=\"https://doi.org/10.1039/c8cy01493k\">10.1039/c8cy01493k</a>","apa":"Liu, J. Q., Xu, Y. P., Groszewicz, P. B., Brodrecht, M., Fasel, C., Hofmann, K., Tan, X. J., Gutmann, T., &#38; Buntkowsky, G. (2018). Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation. <i>Catalysis Science &#38; Technology</i>, <i>8</i>(20), 5190–5200. <a href=\"https://doi.org/10.1039/c8cy01493k\">https://doi.org/10.1039/c8cy01493k</a>","bibtex":"@article{Liu_Xu_Groszewicz_Brodrecht_Fasel_Hofmann_Tan_Gutmann_Buntkowsky_2018, title={Novel dirhodium coordination polymers: the impact of side chains on cyclopropanation}, volume={8}, DOI={<a href=\"https://doi.org/10.1039/c8cy01493k\">10.1039/c8cy01493k</a>}, number={20}, journal={Catalysis Science &#38; Technology}, author={Liu, J. Q. and Xu, Y. P. and Groszewicz, P. B. and Brodrecht, M. and Fasel, C. and Hofmann, K. and Tan, X. J. and Gutmann, Torsten and Buntkowsky, G.}, year={2018}, pages={5190–5200} }","mla":"Liu, J. Q., et al. “Novel Dirhodium Coordination Polymers: The Impact of Side Chains on Cyclopropanation.” <i>Catalysis Science &#38; Technology</i>, vol. 8, no. 20, 2018, pp. 5190–5200, doi:<a href=\"https://doi.org/10.1039/c8cy01493k\">10.1039/c8cy01493k</a>.","short":"J.Q. Liu, Y.P. Xu, P.B. Groszewicz, M. Brodrecht, C. Fasel, K. Hofmann, X.J. Tan, T. Gutmann, G. Buntkowsky, Catalysis Science &#38; Technology 8 (2018) 5190–5200."},"intvolume":"         8","page":"5190–5200","year":"2018","issue":"20","publication_identifier":{"issn":["2044-4753"]},"language":[{"iso":"eng"}],"extern":"1","keyword":["Chemistry","asymmetric cyclopropanation","c-h insertion","carbene transformations","carboxylates","catalysts","functionalization","immobilization","metal-organic frameworks","nmr","solid support"],"user_id":"100715","_id":"64010","status":"public","abstract":[{"text":"Seven novel dirhodium coordination polymers (Rh-2-Ln) (n = 1-7) are prepared by employing bitopic ligands to connect dirhodium nodes. The formation of the framework is confirmed by attenuated total reflectance Fourier transform infrared (ATR-FTIR) and H-1 C-13 cross polarization magic angle spinning nuclear magnetic resonance (CP MAS NMR) spectroscopy. Defect sites resulting from incomplete ligand substitution are revealed by F-19 MAS NMR. The random stacking behavior of the frameworks in the obtained solid is analyzed by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The Rh-2/O interaction in neighboring layers is investigated by diffuse reflectance ultra-violet visible light (DR-UV-vis) spectroscopy and X-ray photoelectron spectroscopy (XPS). This interaction is relevant to understand the catalytic behavior of various Rh-2-Ln catalysts in the cyclopropanation of styrene with ethyl diazoacetate (EDA). In this context, the structure-reactivity relationship is discussed by taking into consideration both interlayer Rh-2/O interactions and steric effects of side chains.","lang":"eng"}],"type":"journal_article","publication":"Catalysis Science & Technology"},{"issue":"11","publication_identifier":{"issn":["2079-4991"]},"intvolume":"         7","page":"390","citation":{"apa":"Vowinkel, S., Paul, S., Gutmann, T., &#38; Gallei, M. (2017). Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing. <i>Nanomaterials</i>, <i>7</i>(11), 390. <a href=\"https://doi.org/10.3390/nano7110390\">https://doi.org/10.3390/nano7110390</a>","bibtex":"@article{Vowinkel_Paul_Gutmann_Gallei_2017, title={Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing}, volume={7}, DOI={<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>}, number={11}, journal={Nanomaterials}, author={Vowinkel, S. and Paul, S. and Gutmann, Torsten and Gallei, M.}, year={2017}, pages={390} }","mla":"Vowinkel, S., et al. “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.” <i>Nanomaterials</i>, vol. 7, no. 11, 2017, p. 390, doi:<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>.","short":"S. Vowinkel, S. Paul, T. Gutmann, M. Gallei, Nanomaterials 7 (2017) 390.","ieee":"S. Vowinkel, S. Paul, T. Gutmann, and M. Gallei, “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing,” <i>Nanomaterials</i>, vol. 7, no. 11, p. 390, 2017, doi: <a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>.","chicago":"Vowinkel, S., S. Paul, Torsten Gutmann, and M. Gallei. “Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing.” <i>Nanomaterials</i> 7, no. 11 (2017): 390. <a href=\"https://doi.org/10.3390/nano7110390\">https://doi.org/10.3390/nano7110390</a>.","ama":"Vowinkel S, Paul S, Gutmann T, Gallei M. Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing. <i>Nanomaterials</i>. 2017;7(11):390. doi:<a href=\"https://doi.org/10.3390/nano7110390\">10.3390/nano7110390</a>"},"year":"2017","volume":7,"date_created":"2026-02-07T16:15:23Z","author":[{"full_name":"Vowinkel, S.","last_name":"Vowinkel","first_name":"S."},{"first_name":"S.","full_name":"Paul, S.","last_name":"Paul"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"last_name":"Gallei","full_name":"Gallei, M.","first_name":"M."}],"date_updated":"2026-02-17T16:12:54Z","doi":"10.3390/nano7110390","title":"Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing","publication":"Nanomaterials","type":"journal_article","status":"public","abstract":[{"text":"The utilization and preparation of functional hybrid films for optical sensing applications and membranes is of utmost importance. In this work, we report the convenient and scalable preparation of self-crosslinking particle-based films derived by directed self-assembly of alkoxysilane-based cross-linkers as part of a core-shell particle architecture. The synthesis of well-designed monodisperse core-shell particles by emulsion polymerization is the basic prerequisite for subsequent particle processing via the melt-shear organization technique. In more detail, the core particles consist of polystyrene (PS) or poly(methyl methacrylate) (PMMA), while the comparably soft particle shell consists of poly(ethyl acrylate) (PEA) and different alkoxysilane-based poly(methacrylate)s. For hybrid film formation and convenient self-cross-linking, different alkyl groups at the siloxane moieties were investigated in detail by solid-state Magic-Angle Spinning Nuclear Magnetic Resonance (MAS, NMR) spectroscopy revealing different crosslinking capabilities, which strongly influence the properties of the core or shell particle films with respect to transparency and iridescent reflection colors. Furthermore, solid-state NMR spectroscopy and investigation of the thermal properties by differential scanning calorimetry (DSC) measurements allow for insights into the cross-linking capabilities prior to and after synthesis, as well as after the thermally and pressure-induced processing steps. Subsequently, free-standing and self-crosslinked particle-based films featuring excellent particle order are obtained by application of the melt-shear organization technique, as shown by microscopy (TEM, SEM).","lang":"eng"}],"user_id":"100715","_id":"64053","language":[{"iso":"eng"}],"extern":"1","keyword":["Materials Science","Science & Technology - Other Topics","solid-state nmr","spectroscopy","catalysts","colloidal crystals","colloids","cross-linking","elastomeric opal films","emulsion polymerization","gamma-methacryloxypropyltrimethoxysilane","hybrid films","melt-shear organization","nanoparticles","particle","photons","polymers","processing","self-assembly","transition"]},{"keyword":["Chemistry","dynamic nuclear-polarization","solid-state nmr","DFT","heterogeneous catalysis","hydrido complexes","hydrogenation","immobilized catalyst","inorganic hybrid","iridium","materials","mesoporous","molecular-orbital methods","PHIP","phosphine complexes","reusable catalysts","silica","solid-state-NMR","wilkinsons catalyst"],"extern":"1","language":[{"iso":"eng"}],"_id":"63956","user_id":"100715","abstract":[{"lang":"eng","text":"The synthesis of novel robust and stable iridium-based immobilized catalysts on silica-polymer hybrid materials (Si-PB-Ir) is described. These catalysts are characterized by a combination of 1D P-31 CP-MAS and 2D P-31-H-1 HETCOR and J-resolved multinuclear solid state NMR experiments. Different binding situations such as singly and multiply coordinated phosphines are identified. Density functional theory (DFT) calculations are performed to corroborate the interpretation of the experimental NMR data, in order to propose a structural model of the heterogenized catalysts. Finally, the catalytic activity of the Si-PB-Ir catalysts is investigated for the hydrogenation of styrene employing para-enriched hydrogen gas."}],"status":"public","type":"journal_article","publication":"Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics","title":"P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts","doi":"10.1515/zpch-2016-0837","date_updated":"2026-02-17T16:18:04Z","author":[{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"full_name":"Alkhagani, S.","last_name":"Alkhagani","first_name":"S."},{"first_name":"N.","last_name":"Rothermel","full_name":"Rothermel, N."},{"first_name":"H. H.","last_name":"Limbach","full_name":"Limbach, H. H."},{"first_name":"H.","last_name":"Breitzke","full_name":"Breitzke, H."},{"first_name":"G.","full_name":"Buntkowsky, G.","last_name":"Buntkowsky"}],"date_created":"2026-02-07T15:35:41Z","volume":231,"year":"2017","citation":{"apa":"Gutmann, T., Alkhagani, S., Rothermel, N., Limbach, H. H., Breitzke, H., &#38; Buntkowsky, G. (2017). P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts. <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, <i>231</i>(3), 653–669. <a href=\"https://doi.org/10.1515/zpch-2016-0837\">https://doi.org/10.1515/zpch-2016-0837</a>","short":"T. Gutmann, S. Alkhagani, N. Rothermel, H.H. Limbach, H. Breitzke, G. Buntkowsky, Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics 231 (2017) 653–669.","bibtex":"@article{Gutmann_Alkhagani_Rothermel_Limbach_Breitzke_Buntkowsky_2017, title={P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts}, volume={231}, DOI={<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>}, number={3}, journal={Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics}, author={Gutmann, Torsten and Alkhagani, S. and Rothermel, N. and Limbach, H. H. and Breitzke, H. and Buntkowsky, G.}, year={2017}, pages={653–669} }","mla":"Gutmann, Torsten, et al. “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel Heterogenized Iridium-Catalysts.” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, vol. 231, no. 3, 2017, pp. 653–669, doi:<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>.","ieee":"T. Gutmann, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke, and G. Buntkowsky, “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts,” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>, vol. 231, no. 3, pp. 653–669, 2017, doi: <a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>.","chicago":"Gutmann, Torsten, S. Alkhagani, N. Rothermel, H. H. Limbach, H. Breitzke, and G. Buntkowsky. “P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel Heterogenized Iridium-Catalysts.” <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i> 231, no. 3 (2017): 653–669. <a href=\"https://doi.org/10.1515/zpch-2016-0837\">https://doi.org/10.1515/zpch-2016-0837</a>.","ama":"Gutmann T, Alkhagani S, Rothermel N, Limbach HH, Breitzke H, Buntkowsky G. P-31-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts. <i>Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry &#38; Chemical Physics</i>. 2017;231(3):653–669. doi:<a href=\"https://doi.org/10.1515/zpch-2016-0837\">10.1515/zpch-2016-0837</a>"},"intvolume":"       231","page":"653–669","publication_identifier":{"issn":["0942-9352"]},"issue":"3"},{"year":"2017","intvolume":"       121","page":"12206–12213","citation":{"chicago":"Ahrem, L., G. Scholz, Torsten Gutmann, B. Calvo, G. Buntkowsky, and E. Kemnitz. “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst.” <i>Journal of Physical Chemistry C</i> 121, no. 22 (2017): 12206–12213. <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">https://doi.org/10.1021/acs.jpcc.7b02535</a>.","ieee":"L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, and E. Kemnitz, “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst,” <i>Journal of Physical Chemistry C</i>, vol. 121, no. 22, pp. 12206–12213, 2017, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>.","ama":"Ahrem L, Scholz G, Gutmann T, Calvo B, Buntkowsky G, Kemnitz E. Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst. <i>Journal of Physical Chemistry C</i>. 2017;121(22):12206–12213. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>","apa":"Ahrem, L., Scholz, G., Gutmann, T., Calvo, B., Buntkowsky, G., &#38; Kemnitz, E. (2017). Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst. <i>Journal of Physical Chemistry C</i>, <i>121</i>(22), 12206–12213. <a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">https://doi.org/10.1021/acs.jpcc.7b02535</a>","mla":"Ahrem, L., et al. “Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst.” <i>Journal of Physical Chemistry C</i>, vol. 121, no. 22, 2017, pp. 12206–12213, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>.","short":"L. Ahrem, G. Scholz, T. Gutmann, B. Calvo, G. Buntkowsky, E. Kemnitz, Journal of Physical Chemistry C 121 (2017) 12206–12213.","bibtex":"@article{Ahrem_Scholz_Gutmann_Calvo_Buntkowsky_Kemnitz_2017, title={Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst}, volume={121}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.7b02535\">10.1021/acs.jpcc.7b02535</a>}, number={22}, journal={Journal of Physical Chemistry C}, author={Ahrem, L. and Scholz, G. and Gutmann, Torsten and Calvo, B. and Buntkowsky, G. and Kemnitz, E.}, year={2017}, pages={12206–12213} }"},"publication_identifier":{"issn":["1932-7447"]},"issue":"22","title":"Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst","doi":"10.1021/acs.jpcc.7b02535","date_updated":"2026-02-17T16:19:24Z","volume":121,"date_created":"2026-02-07T08:56:18Z","author":[{"first_name":"L.","last_name":"Ahrem","full_name":"Ahrem, L."},{"first_name":"G.","full_name":"Scholz, G.","last_name":"Scholz"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"B.","last_name":"Calvo","full_name":"Calvo, B."},{"full_name":"Buntkowsky, G.","last_name":"Buntkowsky","first_name":"G."},{"last_name":"Kemnitz","full_name":"Kemnitz, E.","first_name":"E."}],"abstract":[{"text":"Coordinatively unsaturated sites (CUS) present a key feature of alumina based catalysts as they are believed to act as Lewis-acid sites in heterogeneously catalyzed reactions. In the present study, the direct observation of active species on a fluoride-doped aluminum oxide catalyst is demonstrated. This new fluoride-doped aluminum oxide exhibits strong Lewis-acid sites and superior catalytic activity as compared to gamma-Al2O3. To emphasize the labile state of Lewis-acid sites, two distinctive states of the catalysts surface are addressed using H-1-Al-27 cross polarization (CP) MAS NMR. On the one hand, the highly dehydrated and active state after calcination at 700 degrees C and on the other hand the rehydrated and catalytically inactive surface (produced by contact to air) are probed. These experiments revealed the presence of significant amounts of coordinatively unsaturated sites in the form of 4-and 5-fold coordinated Al-sites on the highly dehydrated surface. In contrast to this, the rehydrated sample exhibited a severely restructured surface caused by the chemisorption of H2O which is ’constituted in a manner that was proposed in earlier models for gamma-Al2O3 surfaces.","lang":"eng"}],"status":"public","publication":"Journal of Physical Chemistry C","type":"journal_article","keyword":["al-27 nmr","characterization","Chemistry","cross-polarization","dynamic nuclear-polarization","eta-alumina","gamma-alumina","hydroxy fluorides","ions","Materials Science","pentacoordinated al3+","Science & Technology - Other Topics","solid-state nmr","spectroscopic","structural insights"],"language":[{"iso":"eng"}],"extern":"1","_id":"63920","user_id":"100715"},{"_id":"64039","user_id":"100715","keyword":["Materials Science","silica","Physics","nmr","colloidal photonic crystals","light","polymerization","solids","structural color","thermo"],"language":[{"iso":"eng"}],"extern":"1","type":"journal_article","publication":"Journal of Materials Chemistry C","abstract":[{"lang":"eng","text":"The preparation of hierarchical and sophisticated particle architectures for mimicking structural colors known from nature still remains a challenge. In this study, the preparation of novel opal and double-inverse opal films based on thermally treated metallopolymer core particles with a silica shell is described. Thermal treatment leads to the formation of magnetic nanorattle-type particles. The main challenge of artificial particles is to ensure sufficient dispersibility after several synthetic steps. Especially silica particles providing surface hydroxyl groups tend to sinter at high temperatures leading to agglomeration. We present the introduction of trimethyl ethoxy silane (TMES) as an excellent functionalization reagent as the key reaction step. The necessity and success of functionalization are investigated by transmission electron microscopy (TEM) and zeta potential measurements. Importantly, solid state NMR techniques are employed to gain deeper insights into the chemical structure of the surface-attached reagent. Finally, by this convenient functionalization the preparation of elastomeric opal films and double-inverse opal films is proven successful revealing excellent optical film properties. Moreover, magnetic properties of these novel films are investigated by using magnetic force microscopy (MFM). The herein established route is expected to pave the way for the preparation of a variety of advanced and stimuli-responsive optical materials."}],"status":"public","date_updated":"2026-02-17T16:13:25Z","author":[{"full_name":"Scheid, D.","last_name":"Scheid","first_name":"D."},{"first_name":"D.","last_name":"Stock","full_name":"Stock, D."},{"first_name":"T.","full_name":"Winter, T.","last_name":"Winter"},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"first_name":"C.","full_name":"Dietz, C.","last_name":"Dietz"},{"last_name":"Gallei","full_name":"Gallei, M.","first_name":"M."}],"date_created":"2026-02-07T16:09:09Z","volume":4,"title":"The pivotal step of nanoparticle functionalization for the preparation of functional and magnetic hybrid opal films","doi":"10.1039/c5tc04388c","publication_identifier":{"issn":["2050-7526"]},"issue":"11","year":"2016","citation":{"apa":"Scheid, D., Stock, D., Winter, T., Gutmann, T., Dietz, C., &#38; Gallei, M. (2016). The pivotal step of nanoparticle functionalization for the preparation of functional and magnetic hybrid opal films. <i>Journal of Materials Chemistry C</i>, <i>4</i>(11), 2187–2196. <a href=\"https://doi.org/10.1039/c5tc04388c\">https://doi.org/10.1039/c5tc04388c</a>","short":"D. Scheid, D. Stock, T. Winter, T. Gutmann, C. Dietz, M. Gallei, Journal of Materials Chemistry C 4 (2016) 2187–2196.","mla":"Scheid, D., et al. “The Pivotal Step of Nanoparticle Functionalization for the Preparation of Functional and Magnetic Hybrid Opal Films.” <i>Journal of Materials Chemistry C</i>, vol. 4, no. 11, 2016, pp. 2187–2196, doi:<a href=\"https://doi.org/10.1039/c5tc04388c\">10.1039/c5tc04388c</a>.","bibtex":"@article{Scheid_Stock_Winter_Gutmann_Dietz_Gallei_2016, title={The pivotal step of nanoparticle functionalization for the preparation of functional and magnetic hybrid opal films}, volume={4}, DOI={<a href=\"https://doi.org/10.1039/c5tc04388c\">10.1039/c5tc04388c</a>}, number={11}, journal={Journal of Materials Chemistry C}, author={Scheid, D. and Stock, D. and Winter, T. and Gutmann, Torsten and Dietz, C. and Gallei, M.}, year={2016}, pages={2187–2196} }","ieee":"D. Scheid, D. Stock, T. Winter, T. Gutmann, C. Dietz, and M. Gallei, “The pivotal step of nanoparticle functionalization for the preparation of functional and magnetic hybrid opal films,” <i>Journal of Materials Chemistry C</i>, vol. 4, no. 11, pp. 2187–2196, 2016, doi: <a href=\"https://doi.org/10.1039/c5tc04388c\">10.1039/c5tc04388c</a>.","chicago":"Scheid, D., D. Stock, T. Winter, Torsten Gutmann, C. Dietz, and M. Gallei. “The Pivotal Step of Nanoparticle Functionalization for the Preparation of Functional and Magnetic Hybrid Opal Films.” <i>Journal of Materials Chemistry C</i> 4, no. 11 (2016): 2187–2196. <a href=\"https://doi.org/10.1039/c5tc04388c\">https://doi.org/10.1039/c5tc04388c</a>.","ama":"Scheid D, Stock D, Winter T, Gutmann T, Dietz C, Gallei M. The pivotal step of nanoparticle functionalization for the preparation of functional and magnetic hybrid opal films. <i>Journal of Materials Chemistry C</i>. 2016;4(11):2187–2196. doi:<a href=\"https://doi.org/10.1039/c5tc04388c\">10.1039/c5tc04388c</a>"},"page":"2187–2196","intvolume":"         4"},{"volume":21,"author":[{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"full_name":"Liu, Jiquan","last_name":"Liu","first_name":"Jiquan"},{"first_name":"Niels","full_name":"Rothermel, Niels","last_name":"Rothermel"},{"last_name":"Xu","full_name":"Xu, Yeping","first_name":"Yeping"},{"last_name":"Jaumann","full_name":"Jaumann, Eva","first_name":"Eva"},{"first_name":"Mayke","last_name":"Werner","full_name":"Werner, Mayke"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"full_name":"Sigurdsson, Snorri T.","last_name":"Sigurdsson","first_name":"Snorri T."},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_created":"2026-02-07T15:38:07Z","publisher":"WILEY-VCH Verlag","date_updated":"2026-02-17T16:17:50Z","doi":"10.1002/chem.201405043","title":"Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst","issue":"9","page":"3798–3805","intvolume":"        21","citation":{"ieee":"T. Gutmann <i>et al.</i>, “Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst,” <i>Chemistry A European Journal</i>, vol. 21, no. 9, pp. 3798–3805, 2015, doi: <a href=\"https://doi.org/10.1002/chem.201405043\">10.1002/chem.201405043</a>.","chicago":"Gutmann, Torsten, Jiquan Liu, Niels Rothermel, Yeping Xu, Eva Jaumann, Mayke Werner, Hergen Breitzke, Snorri T. Sigurdsson, and Gerd Buntkowsky. “Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst.” <i>Chemistry A European Journal</i> 21, no. 9 (2015): 3798–3805. <a href=\"https://doi.org/10.1002/chem.201405043\">https://doi.org/10.1002/chem.201405043</a>.","ama":"Gutmann T, Liu J, Rothermel N, et al. Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst. <i>Chemistry A European Journal</i>. 2015;21(9):3798–3805. doi:<a href=\"https://doi.org/10.1002/chem.201405043\">10.1002/chem.201405043</a>","mla":"Gutmann, Torsten, et al. “Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst.” <i>Chemistry A European Journal</i>, vol. 21, no. 9, WILEY-VCH Verlag, 2015, pp. 3798–3805, doi:<a href=\"https://doi.org/10.1002/chem.201405043\">10.1002/chem.201405043</a>.","short":"T. Gutmann, J. Liu, N. Rothermel, Y. Xu, E. Jaumann, M. Werner, H. Breitzke, S.T. Sigurdsson, G. Buntkowsky, Chemistry A European Journal 21 (2015) 3798–3805.","bibtex":"@article{Gutmann_Liu_Rothermel_Xu_Jaumann_Werner_Breitzke_Sigurdsson_Buntkowsky_2015, title={Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst}, volume={21}, DOI={<a href=\"https://doi.org/10.1002/chem.201405043\">10.1002/chem.201405043</a>}, number={9}, journal={Chemistry A European Journal}, publisher={WILEY-VCH Verlag}, author={Gutmann, Torsten and Liu, Jiquan and Rothermel, Niels and Xu, Yeping and Jaumann, Eva and Werner, Mayke and Breitzke, Hergen and Sigurdsson, Snorri T. and Buntkowsky, Gerd}, year={2015}, pages={3798–3805} }","apa":"Gutmann, T., Liu, J., Rothermel, N., Xu, Y., Jaumann, E., Werner, M., Breitzke, H., Sigurdsson, S. T., &#38; Buntkowsky, G. (2015). Natural Abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a Novel Amine-Carboxyl-Linked Immobilized Dirhodium Catalyst. <i>Chemistry A European Journal</i>, <i>21</i>(9), 3798–3805. <a href=\"https://doi.org/10.1002/chem.201405043\">https://doi.org/10.1002/chem.201405043</a>"},"year":"2015","user_id":"100715","_id":"63963","language":[{"iso":"eng"}],"extern":"1","keyword":["heterogeneous catalysis","immobilized catalyst","dynamic nuclear polarization","hyperpolarization","NMR spectroscopy"],"publication":"Chemistry A European Journal","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"A novel heterogeneous dirhodium catalyst has been synthesized. This stable catalyst is constructed from dirhodium acetate dimer (Rh2(OAc)4) units, which are covalently linked to amine- and carboxyl-bifunctionalized mesoporous silica (SBA-15NH2COOH). It shows good efficiency in catalyzing the cyclopropanation reaction of styrene and ethyl diazoacetate (EDA) forming cis- and trans-1-ethoxycarbonyl-2-phenylcyclopropane. To characterize the structure of this catalyst and to confirm the successful immobilization, heteronuclear solid-state NMR experiments have been performed. The high application potential of dynamic nuclear polarization (DNP) NMR for the analysis of binding sites in this novel catalyst is demonstrated. Signal-enhanced 13C CP MAS and 15N CP MAS techniques have been employed to detect different carboxyl and amine binding sites in natural abundance on a fast time scale. The interpretation of the experimental chemical shift values for different binding sites has been corroborated by quantum chemical calculations on dirhodium model complexes."}]},{"type":"conference","publication":"38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)","abstract":[{"lang":"eng","text":"In this paper we present a speech presence probability (SPP) estimation algorithmwhich exploits both temporal and spectral correlations of speech. To this end, the SPP estimation is formulated as the posterior probability estimation of the states of a two-dimensional (2D) Hidden Markov Model (HMM). We derive an iterative algorithm to decode the 2D-HMM which is based on the turbo principle. The experimental results show that indeed the SPP estimates improve from iteration to iteration, and further clearly outperform another state-of-the-art SPP estimation algorithm."}],"status":"public","_id":"11917","user_id":"44006","department":[{"_id":"54"}],"keyword":["correlation methods","estimation theory","hidden Markov models","iterative methods","probability","spectral analysis","speech processing","2D HMM","SPP estimates","iterative algorithm","posterior probability estimation","spectral correlation","speech presence probability estimation","state-of-the-art SPP estimation algorithm","temporal correlation","turbo principle","two-dimensional hidden Markov model","Correlation","Decoding","Estimation","Iterative decoding","Noise","Speech","Vectors"],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["1520-6149"]},"year":"2013","citation":{"ama":"Vu DHT, Haeb-Umbach R. Using the turbo principle for exploiting temporal and spectral correlations in speech presence probability estimation. In: <i>38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)</i>. ; 2013:863-867. doi:<a href=\"https://doi.org/10.1109/ICASSP.2013.6637771\">10.1109/ICASSP.2013.6637771</a>","ieee":"D. H. T. Vu and R. Haeb-Umbach, “Using the turbo principle for exploiting temporal and spectral correlations in speech presence probability estimation,” in <i>38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)</i>, 2013, pp. 863–867.","chicago":"Vu, Dang Hai Tran, and Reinhold Haeb-Umbach. “Using the Turbo Principle for Exploiting Temporal and Spectral Correlations in Speech Presence Probability Estimation.” In <i>38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)</i>, 863–67, 2013. <a href=\"https://doi.org/10.1109/ICASSP.2013.6637771\">https://doi.org/10.1109/ICASSP.2013.6637771</a>.","bibtex":"@inproceedings{Vu_Haeb-Umbach_2013, title={Using the turbo principle for exploiting temporal and spectral correlations in speech presence probability estimation}, DOI={<a href=\"https://doi.org/10.1109/ICASSP.2013.6637771\">10.1109/ICASSP.2013.6637771</a>}, booktitle={38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)}, author={Vu, Dang Hai Tran and Haeb-Umbach, Reinhold}, year={2013}, pages={863–867} }","short":"D.H.T. Vu, R. Haeb-Umbach, in: 38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013), 2013, pp. 863–867.","mla":"Vu, Dang Hai Tran, and Reinhold Haeb-Umbach. “Using the Turbo Principle for Exploiting Temporal and Spectral Correlations in Speech Presence Probability Estimation.” <i>38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)</i>, 2013, pp. 863–67, doi:<a href=\"https://doi.org/10.1109/ICASSP.2013.6637771\">10.1109/ICASSP.2013.6637771</a>.","apa":"Vu, D. H. T., &#38; Haeb-Umbach, R. (2013). Using the turbo principle for exploiting temporal and spectral correlations in speech presence probability estimation. In <i>38th International Conference on Acoustics, Speech and Signal Processing (ICASSP 2013)</i> (pp. 863–867). <a href=\"https://doi.org/10.1109/ICASSP.2013.6637771\">https://doi.org/10.1109/ICASSP.2013.6637771</a>"},"page":"863-867","date_updated":"2022-01-06T06:51:12Z","date_created":"2019-07-12T05:30:45Z","author":[{"full_name":"Vu, Dang Hai Tran","last_name":"Vu","first_name":"Dang Hai Tran"},{"first_name":"Reinhold","full_name":"Haeb-Umbach, Reinhold","id":"242","last_name":"Haeb-Umbach"}],"title":"Using the turbo principle for exploiting temporal and spectral correlations in speech presence probability estimation","doi":"10.1109/ICASSP.2013.6637771"},{"abstract":[{"text":"Piezoelectric inertia motors use the inertia of a body to drive it by means of a friction contact in a series of small steps. These motors can operate in ``stick-slip'' or ``slip-slip'' mode, with the fundamental frequency of the driving signal ranging from several Hertz to more than 100 kHz. To predict the motor characteristics, a Coulomb friction model is sufficient in many cases, but numerical simulation requires microscopic time steps. This contribution proposes a much faster simulation technique using one evaluation per period of the excitation signal. The proposed technique produces results very close to those of timestep simulation for ultrasonics inertia motors and allows direct determination of the steady-state velocity of an inertia motor from the motion profile of the driving part. Thus it is a useful simulation technique which can be applied in both analysis and design of inertia motors, especially for parameter studies and optimisation.","lang":"eng"}],"status":"public","publication":"Ultrasonics Symposium (IUS), 2012 IEEE International","type":"conference","keyword":["friction","ultrasonic motors","Coulomb friction model","efficient simulation technique","friction contact","high-frequency piezoelectric inertia motor","motor characteristics prediction","numerical simulation","slip-slip mode","stick-slip mode","time-step simulation","ultrasonic inertia motor","Acceleration","Acoustics","Actuators","Computational modeling","Friction","Numerical models","Steady-state"],"language":[{"iso":"eng"}],"_id":"9784","department":[{"_id":"151"}],"user_id":"55222","year":"2012","page":"277-280","citation":{"chicago":"Hunstig, Matthias, Tobias Hemsel, and Walter Sextro. “An Efficient Simulation Technique for High-Frequency Piezoelectric Inertia Motors.” In <i>Ultrasonics Symposium (IUS), 2012 IEEE International</i>, 277–80, 2012. <a href=\"https://doi.org/10.1109/ULTSYM.2012.0068\">https://doi.org/10.1109/ULTSYM.2012.0068</a>.","ieee":"M. Hunstig, T. Hemsel, and W. Sextro, “An efficient simulation technique for high-frequency piezoelectric inertia motors,” in <i>Ultrasonics Symposium (IUS), 2012 IEEE International</i>, 2012, pp. 277–280.","ama":"Hunstig M, Hemsel T, Sextro W. An efficient simulation technique for high-frequency piezoelectric inertia motors. In: <i>Ultrasonics Symposium (IUS), 2012 IEEE International</i>. ; 2012:277-280. doi:<a href=\"https://doi.org/10.1109/ULTSYM.2012.0068\">10.1109/ULTSYM.2012.0068</a>","bibtex":"@inproceedings{Hunstig_Hemsel_Sextro_2012, title={An efficient simulation technique for high-frequency piezoelectric inertia motors}, DOI={<a href=\"https://doi.org/10.1109/ULTSYM.2012.0068\">10.1109/ULTSYM.2012.0068</a>}, booktitle={Ultrasonics Symposium (IUS), 2012 IEEE International}, author={Hunstig, Matthias and Hemsel, Tobias and Sextro, Walter}, year={2012}, pages={277–280} }","short":"M. Hunstig, T. Hemsel, W. Sextro, in: Ultrasonics Symposium (IUS), 2012 IEEE International, 2012, pp. 277–280.","mla":"Hunstig, Matthias, et al. “An Efficient Simulation Technique for High-Frequency Piezoelectric Inertia Motors.” <i>Ultrasonics Symposium (IUS), 2012 IEEE International</i>, 2012, pp. 277–80, doi:<a href=\"https://doi.org/10.1109/ULTSYM.2012.0068\">10.1109/ULTSYM.2012.0068</a>.","apa":"Hunstig, M., Hemsel, T., &#38; Sextro, W. (2012). An efficient simulation technique for high-frequency piezoelectric inertia motors. In <i>Ultrasonics Symposium (IUS), 2012 IEEE International</i> (pp. 277–280). <a href=\"https://doi.org/10.1109/ULTSYM.2012.0068\">https://doi.org/10.1109/ULTSYM.2012.0068</a>"},"publication_identifier":{"issn":["1948-5719"]},"quality_controlled":"1","title":"An efficient simulation technique for high-frequency piezoelectric inertia motors","doi":"10.1109/ULTSYM.2012.0068","date_updated":"2022-01-06T07:04:20Z","date_created":"2019-05-13T13:20:17Z","author":[{"first_name":"Matthias","full_name":"Hunstig, Matthias","last_name":"Hunstig"},{"full_name":"Hemsel, Tobias","last_name":"Hemsel","first_name":"Tobias"},{"first_name":"Walter","full_name":"Sextro, Walter","last_name":"Sextro"}]},{"year":"2010","intvolume":"        64","page":"125-128","citation":{"bibtex":"@article{Maeda_Takiguchi_Morita_Ishikawa_Hemsel_2010, title={(K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders}, volume={64}, DOI={<a href=\"https://doi.org/10.1016/j.matlet.2009.10.012\">10.1016/j.matlet.2009.10.012</a>}, number={2}, journal={Materials Letters}, author={Maeda, Takafumi and Takiguchi, Norihito and Morita, Takeshi and Ishikawa, Mutsuo and Hemsel, Tobias}, year={2010}, pages={125–128} }","short":"T. Maeda, N. Takiguchi, T. Morita, M. Ishikawa, T. Hemsel, Materials Letters 64 (2010) 125–128.","mla":"Maeda, Takafumi, et al. “(K,Na)NbO3 Lead-Free Piezoelectric Ceramics Synthesized from Hydrothermal Powders.” <i>Materials Letters</i>, vol. 64, no. 2, 2010, pp. 125–28, doi:<a href=\"https://doi.org/10.1016/j.matlet.2009.10.012\">10.1016/j.matlet.2009.10.012</a>.","apa":"Maeda, T., Takiguchi, N., Morita, T., Ishikawa, M., &#38; Hemsel, T. (2010). (K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders. <i>Materials Letters</i>, <i>64</i>(2), 125–128. <a href=\"https://doi.org/10.1016/j.matlet.2009.10.012\">https://doi.org/10.1016/j.matlet.2009.10.012</a>","ama":"Maeda T, Takiguchi N, Morita T, Ishikawa M, Hemsel T. (K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders. <i>Materials Letters</i>. 2010;64(2):125-128. doi:<a href=\"https://doi.org/10.1016/j.matlet.2009.10.012\">10.1016/j.matlet.2009.10.012</a>","chicago":"Maeda, Takafumi, Norihito Takiguchi, Takeshi Morita, Mutsuo Ishikawa, and Tobias Hemsel. “(K,Na)NbO3 Lead-Free Piezoelectric Ceramics Synthesized from Hydrothermal Powders.” <i>Materials Letters</i> 64, no. 2 (2010): 125–28. <a href=\"https://doi.org/10.1016/j.matlet.2009.10.012\">https://doi.org/10.1016/j.matlet.2009.10.012</a>.","ieee":"T. Maeda, N. Takiguchi, T. Morita, M. Ishikawa, and T. Hemsel, “(K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders,” <i>Materials Letters</i>, vol. 64, no. 2, pp. 125–128, 2010."},"quality_controlled":"1","publication_identifier":{"issn":["1948-5719"]},"issue":"2","title":"(K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders","doi":"10.1016/j.matlet.2009.10.012","date_updated":"2022-01-06T07:04:19Z","volume":64,"author":[{"full_name":"Maeda, Takafumi","last_name":"Maeda","first_name":"Takafumi"},{"full_name":"Takiguchi, Norihito","last_name":"Takiguchi","first_name":"Norihito"},{"first_name":"Takeshi","last_name":"Morita","full_name":"Morita, Takeshi"},{"first_name":"Mutsuo","last_name":"Ishikawa","full_name":"Ishikawa, Mutsuo"},{"full_name":"Hemsel, Tobias","id":"210","last_name":"Hemsel","first_name":"Tobias"}],"date_created":"2019-05-13T10:21:17Z","abstract":[{"lang":"eng","text":"Among various lead-free piezoelectric materials, (K,Na)NbO$_{3}$ is a very promising candidate. In this study, (K,Na)NbO$_{3}$ ceramics were sintered from mixed (K,Na)NbO$_{3}$ and NaNbO$_{3}$ powders prepared by hydrothermal reaction. These two powders were mixed with distilled water in a KNbO$_{3}$/NaNbO$_{3}$ molar ratio of 1. After sintering the mixed powder, the solid solution of (Na,K)NbO$_{3}$ ceramics was obtained. The electrical properties such as the electromechanical coupling factors k$_{p}$ and k$_{33}$, the mechanical quality factor, Q$_{m}$, and the piezoelectric constant d$_{33}$ of the sintered (K,Na)NbO$_{3}$ ceramics were 0.32, 0.48, 71 (radial mode), 118 ((33)mode), and 107 pC/N, respectively."}],"status":"public","publication":"Materials Letters","type":"journal_article","keyword":["Lead-free piezoelectric material","(K","Na)NbO$_{3}$ ceramics","Sintering solid solution","Piezoelectric properties"],"language":[{"iso":"eng"}],"_id":"9759","department":[{"_id":"151"}],"user_id":"55222"},{"publication":"7th Workshop on Positioning Navigation and Communication (WPNC 2010)","type":"conference","abstract":[{"text":"In this paper we present a robust location estimation algorithm especially focused on the accuracy in vertical position. A loosely-coupled error state space Kalman filter, which fuses sensor data of an Inertial Measurement Unit and the output of a Global Positioning System device, is augmented by height information from an altitude measurement unit. This unit consists of a barometric altimeter whose output is fused with topographic map information by a Kalman filter to provide robust information about the current vertical user position. These data replace the less reliable vertical position information provided the GPS device. It is shown that typical barometric errors like thermal divergences and fluctuations in the pressure due to changing weather conditions can be compensated by the topographic map information and the barometric error Kalman filter. The resulting height information is shown not only to be more reliable than height information provided by GPS. It also turns out that it leads to better attitude and thus better overall localization estimation accuracy due to the coupling of spatial orientations via the Direct Cosine Matrix. Results are presented both for artificially generated and field test data, where the user is moving by car.","lang":"eng"}],"status":"public","_id":"11726","department":[{"_id":"54"}],"user_id":"44006","keyword":["altitude measurement unit","barometers","barometric altimeter","barometric error Kalman filter","barometric height estimation","direct cosine matrix","global positioning system","Global Positioning System","GPS device","height information","height measurement","inertial measurement unit","Kalman filters","loosely-coupled error state space Kalman filter","loosely-coupled Kalman-filter","map matching","robust information","robust location estimation","sensor fusion","topographic map information","vertical user position"],"language":[{"iso":"eng"}],"year":"2010","page":"128-134","citation":{"bibtex":"@inproceedings{Bevermeier_Walter_Peschke_Haeb-Umbach_2010, title={Barometric height estimation combined with map-matching in a loosely-coupled Kalman-filter}, DOI={<a href=\"https://doi.org/10.1109/WPNC.2010.5650745\">10.1109/WPNC.2010.5650745</a>}, booktitle={7th Workshop on Positioning Navigation and Communication (WPNC 2010)}, author={Bevermeier, Maik and Walter, Oliver and Peschke, Sven and Haeb-Umbach, Reinhold}, year={2010}, pages={128–134} }","short":"M. Bevermeier, O. Walter, S. Peschke, R. Haeb-Umbach, in: 7th Workshop on Positioning Navigation and Communication (WPNC 2010), 2010, pp. 128–134.","mla":"Bevermeier, Maik, et al. “Barometric Height Estimation Combined with Map-Matching in a Loosely-Coupled Kalman-Filter.” <i>7th Workshop on Positioning Navigation and Communication (WPNC 2010)</i>, 2010, pp. 128–34, doi:<a href=\"https://doi.org/10.1109/WPNC.2010.5650745\">10.1109/WPNC.2010.5650745</a>.","apa":"Bevermeier, M., Walter, O., Peschke, S., &#38; Haeb-Umbach, R. (2010). Barometric height estimation combined with map-matching in a loosely-coupled Kalman-filter. In <i>7th Workshop on Positioning Navigation and Communication (WPNC 2010)</i> (pp. 128–134). <a href=\"https://doi.org/10.1109/WPNC.2010.5650745\">https://doi.org/10.1109/WPNC.2010.5650745</a>","ama":"Bevermeier M, Walter O, Peschke S, Haeb-Umbach R. Barometric height estimation combined with map-matching in a loosely-coupled Kalman-filter. In: <i>7th Workshop on Positioning Navigation and Communication (WPNC 2010)</i>. ; 2010:128-134. doi:<a href=\"https://doi.org/10.1109/WPNC.2010.5650745\">10.1109/WPNC.2010.5650745</a>","ieee":"M. Bevermeier, O. Walter, S. Peschke, and R. Haeb-Umbach, “Barometric height estimation combined with map-matching in a loosely-coupled Kalman-filter,” in <i>7th Workshop on Positioning Navigation and Communication (WPNC 2010)</i>, 2010, pp. 128–134.","chicago":"Bevermeier, Maik, Oliver Walter, Sven Peschke, and Reinhold Haeb-Umbach. “Barometric Height Estimation Combined with Map-Matching in a Loosely-Coupled Kalman-Filter.” In <i>7th Workshop on Positioning Navigation and Communication (WPNC 2010)</i>, 128–34, 2010. <a href=\"https://doi.org/10.1109/WPNC.2010.5650745\">https://doi.org/10.1109/WPNC.2010.5650745</a>."},"oa":"1","date_updated":"2022-01-06T06:51:07Z","date_created":"2019-07-12T05:27:04Z","author":[{"full_name":"Bevermeier, Maik","last_name":"Bevermeier","first_name":"Maik"},{"last_name":"Walter","full_name":"Walter, Oliver","first_name":"Oliver"},{"last_name":"Peschke","full_name":"Peschke, Sven","first_name":"Sven"},{"id":"242","full_name":"Haeb-Umbach, Reinhold","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"title":"Barometric height estimation combined with map-matching in a loosely-coupled Kalman-filter","doi":"10.1109/WPNC.2010.5650745","main_file_link":[{"open_access":"1","url":"https://groups.uni-paderborn.de/nt/pubs/2010/BeWaPeHa10.pdf"}]},{"keyword":["covariance matrices","expectation-maximisation algorithm","expectation-maximization algorithm","global positioning system","Global Positioning System","GPS","inertial measurement unit","interacting multiple model approach","Kalman filters","multilevel sensor fusion","narrow street canyons","narrow tunnels","online parameter estimation","parameter estimation","road vehicles","robust vehicle localization","sensor fusion","state noise covariances","time-variant multilevel Kalman filter","vehicle tracking algorithm"],"language":[{"iso":"eng"}],"_id":"11723","user_id":"44006","department":[{"_id":"54"}],"abstract":[{"text":"In this paper we present a novel vehicle tracking algorithm, which is based on multi-level sensor fusion of GPS (global positioning system) with Inertial Measurement Unit sensor data. It is shown that the robustness of the system to temporary dropouts of the GPS signal, which may occur due to limited visibility of satellites in narrow street canyons or tunnels, is greatly improved by sensor fusion. We further demonstrate how the observation and state noise covariances of the employed Kalman filters can be estimated alongside the filtering by an application of the Expectation-Maximization algorithm. The proposed time-variant multi-level Kalman filter is shown to outperform an Interacting Multiple Model approach while at the same time being computationally less demanding.","lang":"eng"}],"status":"public","type":"conference","publication":"6th Workshop on Positioning Navigation and Communication (WPNC 2009)","title":"Robust vehicle localization based on multi-level sensor fusion and online parameter estimation","main_file_link":[{"open_access":"1","url":"https://groups.uni-paderborn.de/nt/pubs/2009/BePeHa09.pdf"}],"doi":"10.1109/WPNC.2009.4907833","oa":"1","date_updated":"2022-01-06T06:51:07Z","date_created":"2019-07-12T05:27:01Z","author":[{"last_name":"Bevermeier","full_name":"Bevermeier, Maik","first_name":"Maik"},{"last_name":"Peschke","full_name":"Peschke, Sven","first_name":"Sven"},{"last_name":"Haeb-Umbach","full_name":"Haeb-Umbach, Reinhold","id":"242","first_name":"Reinhold"}],"year":"2009","citation":{"apa":"Bevermeier, M., Peschke, S., &#38; Haeb-Umbach, R. (2009). Robust vehicle localization based on multi-level sensor fusion and online parameter estimation. In <i>6th Workshop on Positioning Navigation and Communication (WPNC 2009)</i> (pp. 235–242). <a href=\"https://doi.org/10.1109/WPNC.2009.4907833\">https://doi.org/10.1109/WPNC.2009.4907833</a>","short":"M. Bevermeier, S. Peschke, R. Haeb-Umbach, in: 6th Workshop on Positioning Navigation and Communication (WPNC 2009), 2009, pp. 235–242.","bibtex":"@inproceedings{Bevermeier_Peschke_Haeb-Umbach_2009, title={Robust vehicle localization based on multi-level sensor fusion and online parameter estimation}, DOI={<a href=\"https://doi.org/10.1109/WPNC.2009.4907833\">10.1109/WPNC.2009.4907833</a>}, booktitle={6th Workshop on Positioning Navigation and Communication (WPNC 2009)}, author={Bevermeier, Maik and Peschke, Sven and Haeb-Umbach, Reinhold}, year={2009}, pages={235–242} }","mla":"Bevermeier, Maik, et al. “Robust Vehicle Localization Based on Multi-Level Sensor Fusion and Online Parameter Estimation.” <i>6th Workshop on Positioning Navigation and Communication (WPNC 2009)</i>, 2009, pp. 235–42, doi:<a href=\"https://doi.org/10.1109/WPNC.2009.4907833\">10.1109/WPNC.2009.4907833</a>.","ama":"Bevermeier M, Peschke S, Haeb-Umbach R. Robust vehicle localization based on multi-level sensor fusion and online parameter estimation. In: <i>6th Workshop on Positioning Navigation and Communication (WPNC 2009)</i>. ; 2009:235-242. doi:<a href=\"https://doi.org/10.1109/WPNC.2009.4907833\">10.1109/WPNC.2009.4907833</a>","chicago":"Bevermeier, Maik, Sven Peschke, and Reinhold Haeb-Umbach. “Robust Vehicle Localization Based on Multi-Level Sensor Fusion and Online Parameter Estimation.” In <i>6th Workshop on Positioning Navigation and Communication (WPNC 2009)</i>, 235–42, 2009. <a href=\"https://doi.org/10.1109/WPNC.2009.4907833\">https://doi.org/10.1109/WPNC.2009.4907833</a>.","ieee":"M. Bevermeier, S. Peschke, and R. Haeb-Umbach, “Robust vehicle localization based on multi-level sensor fusion and online parameter estimation,” in <i>6th Workshop on Positioning Navigation and Communication (WPNC 2009)</i>, 2009, pp. 235–242."},"page":"235-242"},{"year":"2009","citation":{"apa":"Windmann, S., &#38; Haeb-Umbach, R. (2009). Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition. <i>IEEE Transactions on Audio, Speech, and Language Processing</i>, <i>17</i>(8), 1577–1590. <a href=\"https://doi.org/10.1109/TASL.2009.2023172\">https://doi.org/10.1109/TASL.2009.2023172</a>","mla":"Windmann, Stefan, and Reinhold Haeb-Umbach. “Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition.” <i>IEEE Transactions on Audio, Speech, and Language Processing</i>, vol. 17, no. 8, 2009, pp. 1577–90, doi:<a href=\"https://doi.org/10.1109/TASL.2009.2023172\">10.1109/TASL.2009.2023172</a>.","short":"S. Windmann, R. Haeb-Umbach, IEEE Transactions on Audio, Speech, and Language Processing 17 (2009) 1577–1590.","bibtex":"@article{Windmann_Haeb-Umbach_2009, title={Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition}, volume={17}, DOI={<a href=\"https://doi.org/10.1109/TASL.2009.2023172\">10.1109/TASL.2009.2023172</a>}, number={8}, journal={IEEE Transactions on Audio, Speech, and Language Processing}, author={Windmann, Stefan and Haeb-Umbach, Reinhold}, year={2009}, pages={1577–1590} }","ieee":"S. Windmann and R. Haeb-Umbach, “Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition,” <i>IEEE Transactions on Audio, Speech, and Language Processing</i>, vol. 17, no. 8, pp. 1577–1590, 2009.","chicago":"Windmann, Stefan, and Reinhold Haeb-Umbach. “Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition.” <i>IEEE Transactions on Audio, Speech, and Language Processing</i> 17, no. 8 (2009): 1577–90. <a href=\"https://doi.org/10.1109/TASL.2009.2023172\">https://doi.org/10.1109/TASL.2009.2023172</a>.","ama":"Windmann S, Haeb-Umbach R. Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition. <i>IEEE Transactions on Audio, Speech, and Language Processing</i>. 2009;17(8):1577-1590. doi:<a href=\"https://doi.org/10.1109/TASL.2009.2023172\">10.1109/TASL.2009.2023172</a>"},"page":"1577-1590","intvolume":"        17","issue":"8","title":"Parameter Estimation of a State-Space Model of Noise for Robust Speech Recognition","main_file_link":[{"url":"https://groups.uni-paderborn.de/nt/pubs/2009/WiHa09-2.pdf","open_access":"1"}],"doi":"10.1109/TASL.2009.2023172","date_updated":"2022-01-06T06:51:12Z","oa":"1","author":[{"first_name":"Stefan","full_name":"Windmann, Stefan","last_name":"Windmann"},{"full_name":"Haeb-Umbach, Reinhold","id":"242","last_name":"Haeb-Umbach","first_name":"Reinhold"}],"date_created":"2019-07-12T05:31:09Z","volume":17,"abstract":[{"lang":"eng","text":"In this paper, parameter estimation of a state-space model of noise or noisy speech cepstra is investigated. A blockwise EM algorithm is derived for the estimation of the state and observation noise covariance from noise-only input data. It is supposed to be used during the offline training mode of a speech recognizer. Further a sequential online EM algorithm is developed to adapt the observation noise covariance on noisy speech cepstra at its input. The estimated parameters are then used in model-based speech feature enhancement for noise-robust automatic speech recognition. Experiments on the AURORA4 database lead to improved recognition results with a linear state model compared to the assumption of stationary noise."}],"status":"public","type":"journal_article","publication":"IEEE Transactions on Audio, Speech, and Language Processing","keyword":["AURORA4 database","blockwise EM algorithm","covariance analysis","linear state model","noise covariance","noise-robust automatic speech recognition","noisy speech cepstra","offline training mode","parameter estimation","speech recognition","speech recognition equipment","speech recognizer","state-space methods","state-space model"],"language":[{"iso":"eng"}],"_id":"11938","user_id":"44006","department":[{"_id":"54"}]},{"issue":"1","page":"37–48","intvolume":"        35","citation":{"ieee":"M. Waechtler, A. Schweitzer, T. Gutmann, H. Breitzke, and G. Buntkowsky, “Efficient analysis of 51V solid-state MAS NMR spectra using genetic algorithms,” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 35, no. 1, pp. 37–48, 2009, doi: <a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">10.1016/j.ssnmr.2008.11.003</a>.","chicago":"Waechtler, Maria, Annika Schweitzer, Torsten Gutmann, Hergen Breitzke, and Gerd Buntkowsky. “Efficient Analysis of 51V Solid-State MAS NMR Spectra Using Genetic Algorithms.” <i>Solid State Nuclear Magnetic Resonance</i> 35, no. 1 (2009): 37–48. <a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">https://doi.org/10.1016/j.ssnmr.2008.11.003</a>.","ama":"Waechtler M, Schweitzer A, Gutmann T, Breitzke H, Buntkowsky G. Efficient analysis of 51V solid-state MAS NMR spectra using genetic algorithms. <i>Solid State Nuclear Magnetic Resonance</i>. 2009;35(1):37–48. doi:<a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">10.1016/j.ssnmr.2008.11.003</a>","apa":"Waechtler, M., Schweitzer, A., Gutmann, T., Breitzke, H., &#38; Buntkowsky, G. (2009). Efficient analysis of 51V solid-state MAS NMR spectra using genetic algorithms. <i>Solid State Nuclear Magnetic Resonance</i>, <i>35</i>(1), 37–48. <a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">https://doi.org/10.1016/j.ssnmr.2008.11.003</a>","bibtex":"@article{Waechtler_Schweitzer_Gutmann_Breitzke_Buntkowsky_2009, title={Efficient analysis of 51V solid-state MAS NMR spectra using genetic algorithms}, volume={35}, DOI={<a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">10.1016/j.ssnmr.2008.11.003</a>}, number={1}, journal={Solid State Nuclear Magnetic Resonance}, author={Waechtler, Maria and Schweitzer, Annika and Gutmann, Torsten and Breitzke, Hergen and Buntkowsky, Gerd}, year={2009}, pages={37–48} }","mla":"Waechtler, Maria, et al. “Efficient Analysis of 51V Solid-State MAS NMR Spectra Using Genetic Algorithms.” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 35, no. 1, 2009, pp. 37–48, doi:<a href=\"https://doi.org/10.1016/j.ssnmr.2008.11.003\">10.1016/j.ssnmr.2008.11.003</a>.","short":"M. Waechtler, A. Schweitzer, T. Gutmann, H. Breitzke, G. Buntkowsky, Solid State Nuclear Magnetic Resonance 35 (2009) 37–48."},"year":"2009","volume":35,"author":[{"first_name":"Maria","last_name":"Waechtler","full_name":"Waechtler, Maria"},{"last_name":"Schweitzer","full_name":"Schweitzer, Annika","first_name":"Annika"},{"first_name":"Torsten","last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165"},{"full_name":"Breitzke, Hergen","last_name":"Breitzke","first_name":"Hergen"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"date_created":"2026-02-07T16:15:57Z","date_updated":"2026-02-17T16:12:50Z","doi":"10.1016/j.ssnmr.2008.11.003","title":"Efficient analysis of 51V solid-state MAS NMR spectra using genetic algorithms","publication":"Solid State Nuclear Magnetic Resonance","type":"journal_article","status":"public","abstract":[{"text":"A program for iterative fitting procedures to determine the NMR parameters from 51V solid-state MAS NMR spectra was developed. It contains options to use genetic algorithms and downhill-simplex optimizing procedures to extract the optimal parameter sets, which describe our spectra. As computational kernel the SIMPSON program is employed. Other kernels like SPINEVOLUTION are easily incorporable. The algorithms are checked for their suitability for the present optimization problem and optimal simulation conditions are determined, with the focus on minimal processing time. The procedure leads to a very good agreement between experimental and simulated spectra in a passable period of time. First results for spectra of model compounds for the active site of vanadium haloperoxidases are presented.","lang":"eng"}],"user_id":"100715","_id":"64055","language":[{"iso":"eng"}],"extern":"1","keyword":["51V MAS NMR spectroscopy","Genetic algorithms","Iterative fitting procedures","Model complexes for vanadium haloperoxidases"]},{"issue":"4","year":"2009","page":"192–201","intvolume":"        36","citation":{"ama":"Fenn A, Wächtler M, Gutmann T, et al. Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts. <i>Solid State Nuclear Magnetic Resonance</i>. 2009;36(4):192–201. doi:<a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">10.1016/j.ssnmr.2009.11.003</a>","ieee":"A. Fenn <i>et al.</i>, “Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts,” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 36, no. 4, pp. 192–201, 2009, doi: <a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">10.1016/j.ssnmr.2009.11.003</a>.","chicago":"Fenn, Annika, Maria Wächtler, Torsten Gutmann, Hergen Breitzke, Axel Buchholz, Ines Lippold, Winfried Plass, and Gerd Buntkowsky. “Correlations between 51V Solid-State NMR Parameters and Chemical Structure of Vanadium (V) Complexes as Models for Related Metalloproteins and Catalysts.” <i>Solid State Nuclear Magnetic Resonance</i> 36, no. 4 (2009): 192–201. <a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">https://doi.org/10.1016/j.ssnmr.2009.11.003</a>.","short":"A. Fenn, M. Wächtler, T. Gutmann, H. Breitzke, A. Buchholz, I. Lippold, W. Plass, G. Buntkowsky, Solid State Nuclear Magnetic Resonance 36 (2009) 192–201.","bibtex":"@article{Fenn_Wächtler_Gutmann_Breitzke_Buchholz_Lippold_Plass_Buntkowsky_2009, title={Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts}, volume={36}, DOI={<a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">10.1016/j.ssnmr.2009.11.003</a>}, number={4}, journal={Solid State Nuclear Magnetic Resonance}, author={Fenn, Annika and Wächtler, Maria and Gutmann, Torsten and Breitzke, Hergen and Buchholz, Axel and Lippold, Ines and Plass, Winfried and Buntkowsky, Gerd}, year={2009}, pages={192–201} }","mla":"Fenn, Annika, et al. “Correlations between 51V Solid-State NMR Parameters and Chemical Structure of Vanadium (V) Complexes as Models for Related Metalloproteins and Catalysts.” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 36, no. 4, 2009, pp. 192–201, doi:<a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">10.1016/j.ssnmr.2009.11.003</a>.","apa":"Fenn, A., Wächtler, M., Gutmann, T., Breitzke, H., Buchholz, A., Lippold, I., Plass, W., &#38; Buntkowsky, G. (2009). Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts. <i>Solid State Nuclear Magnetic Resonance</i>, <i>36</i>(4), 192–201. <a href=\"https://doi.org/10.1016/j.ssnmr.2009.11.003\">https://doi.org/10.1016/j.ssnmr.2009.11.003</a>"},"date_updated":"2026-02-17T16:18:21Z","volume":36,"date_created":"2026-02-07T15:33:58Z","author":[{"full_name":"Fenn, Annika","last_name":"Fenn","first_name":"Annika"},{"first_name":"Maria","last_name":"Wächtler","full_name":"Wächtler, Maria"},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Axel","full_name":"Buchholz, Axel","last_name":"Buchholz"},{"first_name":"Ines","last_name":"Lippold","full_name":"Lippold, Ines"},{"first_name":"Winfried","last_name":"Plass","full_name":"Plass, Winfried"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"title":"Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts","doi":"10.1016/j.ssnmr.2009.11.003","publication":"Solid State Nuclear Magnetic Resonance","type":"journal_article","abstract":[{"text":"The parameters describing the quadrupolar and CSA interactions of 51V solid-state MAS NMR investigations of model complexes mimicking vanadoenzymes as well as vanadium containing catalysts and enzyme complexes are interpreted with respect to the chemical structure. The interpretation is based on the data of 15 vanadium complexes including two new complexes with previously unpublished data and 13 complexes with data previously published by us. Correlations between the chemical structure and the 51V solid-state NMR data of this class of compounds have been established. Especially for the isotropic chemical shift Î´ iso and the chemical shift anisotropy Î´ Ïƒ , correlations with specific structural features like the coordination number of the vanadium atom, the number of coordinating nitrogens, the number of oxygen atoms and the chemical surrounding of the complex could be established for these compounds. Moreover, quantitative correlations between the solid-state NMR parameters and specific bond angles and bond lengths have been obtained. Our results can be of particular interest for future investigations concerning the structure and the mode of action of related vanadoenzymes and vanadate protein assemblies, including the use of vanadate adducts as transition state analogs for phosphate metabolizing systems.","lang":"eng"}],"status":"public","_id":"63951","user_id":"100715","keyword":["51V NMR","Cis-dioxovanadium (v) complex","Model system","Vanadate"],"language":[{"iso":"eng"}],"extern":"1"}]
