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Zimmer, J. Bansi, A. Rademacher, M. Schlagheck, D. Walzik, S. Proschinger, W. Bloch, N. Joisten, Deutsche Zeitschrift Für Sportmedizin 70 (2019) 227–234.","bibtex":"@article{Zimmer_Bansi_Rademacher_Schlagheck_Walzik_Proschinger_Bloch_Joisten_2019, title={Exercise-Neuro-Immunology – from bench to bedside}, volume={70}, DOI={10.5960/dzsm.2019.392}, number={10}, journal={Deutsche Zeitschrift für Sportmedizin}, publisher={Deutsche Zeitschrift Fur Sportmedizin/German Journal of Sports Medicine}, author={Zimmer, P and Bansi, J and Rademacher, A and Schlagheck, ML and Walzik, D and Proschinger, S and Bloch, W and Joisten, N}, year={2019}, pages={227–234} }","apa":"Zimmer, P., Bansi, J., Rademacher, A., Schlagheck, M., Walzik, D., Proschinger, S., Bloch, W., & Joisten, N. (2019). Exercise-Neuro-Immunology – from bench to bedside. Deutsche Zeitschrift Für Sportmedizin, 70(10), 227–234. https://doi.org/10.5960/dzsm.2019.392","ama":"Zimmer P, Bansi J, Rademacher A, et al. 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(2019). Press Hardening Integrated Structuring for Hybrid Components. In M. Oldenburg, J. Hardell, & D. Casellas (Eds.), Proceedings of 7th International Conference Hot Sheet Metal Forming of High-Performance Steel. Verlag Wissenschaftliche Scripten.","bibtex":"@inproceedings{Triebus_Bienia_Marten_Tröster_Dröder_2019, title={Press Hardening Integrated Structuring for Hybrid Components}, booktitle={Proceedings of 7th International Conference Hot Sheet Metal Forming of High-Performance Steel}, publisher={Verlag Wissenschaftliche Scripten}, author={Triebus, Marcel and Bienia, S. and Marten, Thorsten and Tröster, Thomas and Dröder, K.}, editor={Oldenburg, Mats and Hardell, Jens and Casellas, Daniel}, year={2019} }","mla":"Triebus, Marcel, et al. “Press Hardening Integrated Structuring for Hybrid Components.” Proceedings of 7th International Conference Hot Sheet Metal Forming of High-Performance Steel, edited by Mats Oldenburg et al., Verlag Wissenschaftliche Scripten, 2019.","short":"M. 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Dröder. “Press Hardening Integrated Structuring for Hybrid Components.” In Proceedings of 7th International Conference Hot Sheet Metal Forming of High-Performance Steel, edited by Mats Oldenburg, Jens Hardell, and Daniel Casellas. 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(2019). P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess. Verlag und Vertriebsgesellschaft mbH.","mla":"Marten, Thorsten, et al. P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess. Verlag und Vertriebsgesellschaft mbH, 2019.","bibtex":"@book{Marten_Tröster_Salomon_2019, place={Düsseldorf}, series={Forschung für die Praxis}, title={P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess}, publisher={Verlag und Vertriebsgesellschaft mbH}, author={Marten, Thorsten and Tröster, Thomas and Salomon, Rainer}, year={2019}, collection={Forschung für die Praxis} }","short":"T. Marten, T. Tröster, R. Salomon, P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess, Verlag und Vertriebsgesellschaft mbH, Düsseldorf, 2019.","ama":"Marten T, Tröster T, Salomon R. P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess. Verlag und Vertriebsgesellschaft mbH; 2019.","chicago":"Marten, Thorsten, Thomas Tröster, and Rainer Salomon. P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess. Forschung für die Praxis. Düsseldorf: Verlag und Vertriebsgesellschaft mbH, 2019.","ieee":"T. Marten, T. Tröster, and R. Salomon, P920 - Einsatz neuartiger Stähle und Generierung gradierter Leichtbaustrukturen im Presshärteprozess. Düsseldorf: Verlag und Vertriebsgesellschaft mbH, 2019."},"_id":"64186","department":[{"_id":"9"},{"_id":"321"},{"_id":"149"}],"user_id":"338","series_title":"Forschung für die Praxis","language":[{"iso":"ger"}],"report_number":"P920","type":"report","status":"public"},{"_id":"64035","user_id":"100715","language":[{"iso":"eng"}],"extern":"1","type":"journal_article","publication":"Journal of Physical Chemistry A","abstract":[{"text":"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.","lang":"eng"}],"status":"public","date_updated":"2026-02-17T16:13:42Z","date_created":"2026-02-07T16:07:58Z","author":[{"first_name":"K.","last_name":"Sato","full_name":"Sato, K."},{"full_name":"Hirao, R.","last_name":"Hirao","first_name":"R."},{"first_name":"I.","full_name":"Timofeev, I.","last_name":"Timofeev"},{"first_name":"O.","full_name":"Krumkacheva, O.","last_name":"Krumkacheva"},{"first_name":"E.","full_name":"Zaytseva, E.","last_name":"Zaytseva"},{"full_name":"Rogozhnikova, O.","last_name":"Rogozhnikova","first_name":"O."},{"full_name":"Tormyshev, V. M.","last_name":"Tormyshev","first_name":"V. M."},{"first_name":"D.","full_name":"Trukhin, D.","last_name":"Trukhin"},{"full_name":"Bagryanskaya, E.","last_name":"Bagryanskaya","first_name":"E."},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"C.","last_name":"Klimavicius","full_name":"Klimavicius, C."},{"first_name":"G.","last_name":"Buntkowsky","full_name":"Buntkowsky, G."},{"full_name":"Sugisaki, K.","last_name":"Sugisaki","first_name":"K."},{"last_name":"Nakazawa","full_name":"Nakazawa, S.","first_name":"S."},{"full_name":"Matsuoka, H.","last_name":"Matsuoka","first_name":"H."},{"first_name":"K.","last_name":"Toyota","full_name":"Toyota, K."},{"last_name":"Shiomi","full_name":"Shiomi, D.","first_name":"D."},{"full_name":"Takui, T.","last_name":"Takui","first_name":"T."}],"volume":123,"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","issue":"34","year":"2019","citation":{"ama":"Sato K, Hirao R, Timofeev I, et al. 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. Journal of Physical Chemistry A. 2019;123(34):7507–7517. doi:10.1021/acs.jpca.9b07169","ieee":"K. Sato et al., “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,” Journal of Physical Chemistry A, vol. 123, no. 34, pp. 7507–7517, 2019, doi: 10.1021/acs.jpca.9b07169.","chicago":"Sato, K., R. Hirao, I. Timofeev, O. Krumkacheva, E. Zaytseva, O. Rogozhnikova, V. M. Tormyshev, et al. “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.” Journal of Physical Chemistry A 123, no. 34 (2019): 7507–7517. https://doi.org/10.1021/acs.jpca.9b07169.","mla":"Sato, K., et al. “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.” Journal of Physical Chemistry A, vol. 123, no. 34, 2019, pp. 7507–7517, doi:10.1021/acs.jpca.9b07169.","bibtex":"@article{Sato_Hirao_Timofeev_Krumkacheva_Zaytseva_Rogozhnikova_Tormyshev_Trukhin_Bagryanskaya_Gutmann_et al._2019, 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}, volume={123}, DOI={10.1021/acs.jpca.9b07169}, number={34}, journal={Journal of Physical Chemistry A}, 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 et al.}, year={2019}, pages={7507–7517} }","short":"K. Sato, R. Hirao, I. Timofeev, O. Krumkacheva, E. Zaytseva, O. Rogozhnikova, V.M. Tormyshev, D. Trukhin, E. Bagryanskaya, T. Gutmann, C. Klimavicius, G. Buntkowsky, K. Sugisaki, S. Nakazawa, H. Matsuoka, K. Toyota, D. Shiomi, T. Takui, Journal of Physical Chemistry A 123 (2019) 7507–7517.","apa":"Sato, K., Hirao, R., Timofeev, I., Krumkacheva, O., Zaytseva, E., Rogozhnikova, O., Tormyshev, V. M., Trukhin, D., Bagryanskaya, E., Gutmann, T., Klimavicius, C., Buntkowsky, G., Sugisaki, K., Nakazawa, S., Matsuoka, H., Toyota, K., Shiomi, D., & Takui, T. (2019). 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. Journal of Physical Chemistry A, 123(34), 7507–7517. https://doi.org/10.1021/acs.jpca.9b07169"},"page":"7507–7517","intvolume":" 123"},{"extern":"1","language":[{"iso":"eng"}],"_id":"64038","user_id":"100715","abstract":[{"lang":"eng","text":"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."}],"status":"public","publication":"Journal of Physical Chemistry C","type":"journal_article","title":"Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles","doi":"10.1021/acs.jpcc.8b07969","publisher":"American Chemical Society","date_updated":"2026-02-17T16:13:34Z","volume":123,"author":[{"last_name":"Schäfer","full_name":"Schäfer, Timmy","first_name":"Timmy"},{"first_name":"Steffen","full_name":"Vowinkel, Steffen","last_name":"Vowinkel"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Markus","last_name":"Gallei","full_name":"Gallei, Markus"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"}],"date_created":"2026-02-07T16:08:48Z","year":"2019","intvolume":" 123","page":"644–652","citation":{"short":"T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, T. Gutmann, Journal of Physical Chemistry C 123 (2019) 644–652.","mla":"Schäfer, Timmy, et al. “Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles.” Journal of Physical Chemistry C, vol. 123, no. 1, American Chemical Society, 2019, pp. 644–652, doi:10.1021/acs.jpcc.8b07969.","bibtex":"@article{Schäfer_Vowinkel_Breitzke_Gallei_Gutmann_2019, title={Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles}, volume={123}, DOI={10.1021/acs.jpcc.8b07969}, number={1}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Schäfer, Timmy and Vowinkel, Steffen and Breitzke, Hergen and Gallei, Markus and Gutmann, Torsten}, year={2019}, pages={644–652} }","apa":"Schäfer, T., Vowinkel, S., Breitzke, H., Gallei, M., & Gutmann, T. (2019). Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles. Journal of Physical Chemistry C, 123(1), 644–652. https://doi.org/10.1021/acs.jpcc.8b07969","ama":"Schäfer T, Vowinkel S, Breitzke H, Gallei M, Gutmann T. Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles. Journal of Physical Chemistry C. 2019;123(1):644–652. doi:10.1021/acs.jpcc.8b07969","ieee":"T. Schäfer, S. Vowinkel, H. Breitzke, M. Gallei, and T. Gutmann, “Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles,” Journal of Physical Chemistry C, vol. 123, no. 1, pp. 644–652, 2019, doi: 10.1021/acs.jpcc.8b07969.","chicago":"Schäfer, Timmy, Steffen Vowinkel, Hergen Breitzke, Markus Gallei, and Torsten Gutmann. “Selective DNP Signal Amplification To Probe Structures of Core–Shell Polymer Hybrid Nanoparticles.” Journal of Physical Chemistry C 123, no. 1 (2019): 644–652. https://doi.org/10.1021/acs.jpcc.8b07969."},"publication_identifier":{"issn":["1932-7447"]},"issue":"1"},{"year":"2019","intvolume":" 11","page":"1465–1471","citation":{"short":"N. Rothermel, T. Röther, T. Ayvalı, L.M. Martínez-Prieto, K. Philippot, H.-H. Limbach, B. Chaudret, T. Gutmann, G. Buntkowsky, ChemCatChem 11 (2019) 1465–1471.","mla":"Rothermel, Niels, et al. “Reactions of D2 with 1,4-Bis(Diphenylphosphino) Butane-Stabilized Metal Nanoparticles-A Combined Gas-Phase NMR, GC-MS and Solid-State NMR Study.” ChemCatChem, vol. 11, no. 5, 2019, pp. 1465–1471, doi:10.1002/cctc.201801981.","bibtex":"@article{Rothermel_Röther_Ayvalı_Martínez-Prieto_Philippot_Limbach_Chaudret_Gutmann_Buntkowsky_2019, 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}, volume={11}, DOI={10.1002/cctc.201801981}, number={5}, journal={ChemCatChem}, 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}, year={2019}, pages={1465–1471} }","apa":"Rothermel, N., Röther, T., Ayvalı, T., Martínez-Prieto, L. M., Philippot, K., Limbach, H.-H., Chaudret, B., Gutmann, T., & Buntkowsky, G. (2019). Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state NMR Study. ChemCatChem, 11(5), 1465–1471. https://doi.org/10.1002/cctc.201801981","ama":"Rothermel N, Röther T, Ayvalı T, et al. Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state NMR Study. ChemCatChem. 2019;11(5):1465–1471. doi:10.1002/cctc.201801981","ieee":"N. Rothermel et al., “Reactions of D2 with 1,4-Bis(diphenylphosphino) butane-Stabilized Metal Nanoparticles-A Combined Gas-phase NMR, GC-MS and Solid-state NMR Study,” ChemCatChem, vol. 11, no. 5, pp. 1465–1471, 2019, doi: 10.1002/cctc.201801981.","chicago":"Rothermel, Niels, Tobias Röther, Tuğçe Ayvalı, Luis M. Martínez-Prieto, Karine Philippot, Hans-Heinrich Limbach, Bruno Chaudret, Torsten Gutmann, and Gerd Buntkowsky. “Reactions of D2 with 1,4-Bis(Diphenylphosphino) Butane-Stabilized Metal Nanoparticles-A Combined Gas-Phase NMR, GC-MS and Solid-State NMR Study.” ChemCatChem 11, no. 5 (2019): 1465–1471. https://doi.org/10.1002/cctc.201801981."},"issue":"5","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","date_updated":"2026-02-17T16:13:47Z","volume":11,"author":[{"last_name":"Rothermel","full_name":"Rothermel, Niels","first_name":"Niels"},{"first_name":"Tobias","last_name":"Röther","full_name":"Röther, Tobias"},{"full_name":"Ayvalı, Tuğçe","last_name":"Ayvalı","first_name":"Tuğçe"},{"last_name":"Martínez-Prieto","full_name":"Martínez-Prieto, Luis M.","first_name":"Luis M."},{"first_name":"Karine","last_name":"Philippot","full_name":"Philippot, Karine"},{"full_name":"Limbach, Hans-Heinrich","last_name":"Limbach","first_name":"Hans-Heinrich"},{"first_name":"Bruno","full_name":"Chaudret, Bruno","last_name":"Chaudret"},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"date_created":"2026-02-07T16:07:05Z","abstract":[{"text":"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.","lang":"eng"}],"status":"public","publication":"ChemCatChem","type":"journal_article","extern":"1","language":[{"iso":"eng"}],"_id":"64033","user_id":"100715"},{"year":"2019","citation":{"mla":"Neumann, Sarah, et al. “Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticle Catalysts.” Journal of Catalysis, vol. 377, 2019, pp. 662–672, doi:10.1016/j.jcat.2019.07.049.","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={10.1016/j.jcat.2019.07.049}, 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.","apa":"Neumann, S., Gutmann, T., Buntkowsky, G., Paul, S., Thiele, G., Sievers, H., Bäumer, M., & Kunz, S. (2019). Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts. Journal of Catalysis, 377, 662–672. https://doi.org/10.1016/j.jcat.2019.07.049","ieee":"S. Neumann et al., “Insights into the reaction mechanism and particle size effects of CO oxidation over supported Pt nanoparticle catalysts,” Journal of Catalysis, vol. 377, pp. 662–672, 2019, doi: 10.1016/j.jcat.2019.07.049.","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.” Journal of Catalysis 377 (2019): 662–672. https://doi.org/10.1016/j.jcat.2019.07.049.","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. Journal of Catalysis. 2019;377:662–672. doi:10.1016/j.jcat.2019.07.049"},"intvolume":" 377","page":"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","date_updated":"2026-02-17T16:14:45Z","date_created":"2026-02-07T16:02:06Z","author":[{"first_name":"Sarah","last_name":"Neumann","full_name":"Neumann, Sarah"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"},{"first_name":"Stephen","full_name":"Paul, Stephen","last_name":"Paul"},{"first_name":"Greg","full_name":"Thiele, Greg","last_name":"Thiele"},{"first_name":"Heiko","last_name":"Sievers","full_name":"Sievers, Heiko"},{"first_name":"Marcus","full_name":"Bäumer, Marcus","last_name":"Bäumer"},{"first_name":"Sebastian","last_name":"Kunz","full_name":"Kunz, Sebastian"}],"volume":377,"abstract":[{"lang":"eng","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."}],"status":"public","type":"journal_article","publication":"Journal of Catalysis","keyword":["Solid state NMR","“Surfactant-free” platinum nanoparticles","CO oxidation","Particle size effect","Structure sensitivity"],"extern":"1","language":[{"iso":"eng"}],"_id":"64018","user_id":"100715"},{"author":[{"first_name":"Khoa D.","full_name":"Nguyen, Khoa D.","last_name":"Nguyen"},{"last_name":"Kutzscher","full_name":"Kutzscher, Christel","first_name":"Christel"},{"full_name":"Ehrling, Sebastian","last_name":"Ehrling","first_name":"Sebastian"},{"first_name":"Irena","full_name":"Senkovska, Irena","last_name":"Senkovska"},{"last_name":"Bon","full_name":"Bon, Volodymyr","first_name":"Volodymyr"},{"first_name":"Marcos","full_name":"Oliveira, Marcos","last_name":"Oliveira"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"first_name":"Stefan","last_name":"Kaskel","full_name":"Kaskel, Stefan"}],"date_created":"2026-02-07T16:02:33Z","volume":377,"date_updated":"2026-02-17T16:14:42Z","doi":"10.1016/j.jcat.2019.07.003","title":"Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity","citation":{"ama":"Nguyen KD, Kutzscher C, Ehrling S, et al. Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity. Journal of Catalysis. 2019;377:41–50. doi:10.1016/j.jcat.2019.07.003","ieee":"K. D. Nguyen et al., “Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity,” Journal of Catalysis, vol. 377, pp. 41–50, 2019, doi: 10.1016/j.jcat.2019.07.003.","chicago":"Nguyen, Khoa D., Christel Kutzscher, Sebastian Ehrling, Irena Senkovska, Volodymyr Bon, Marcos Oliveira, Torsten Gutmann, Gerd Buntkowsky, and Stefan Kaskel. “Insights into the Role of Zirconium in Proline Functionalized Metal-Organic Frameworks Attaining High Enantio- and Diastereoselectivity.” Journal of Catalysis 377 (2019): 41–50. https://doi.org/10.1016/j.jcat.2019.07.003.","bibtex":"@article{Nguyen_Kutzscher_Ehrling_Senkovska_Bon_Oliveira_Gutmann_Buntkowsky_Kaskel_2019, title={Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity}, volume={377}, DOI={10.1016/j.jcat.2019.07.003}, journal={Journal of Catalysis}, 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}, year={2019}, pages={41–50} }","mla":"Nguyen, Khoa D., et al. “Insights into the Role of Zirconium in Proline Functionalized Metal-Organic Frameworks Attaining High Enantio- and Diastereoselectivity.” Journal of Catalysis, vol. 377, 2019, pp. 41–50, doi:10.1016/j.jcat.2019.07.003.","short":"K.D. Nguyen, C. Kutzscher, S. Ehrling, I. Senkovska, V. Bon, M. Oliveira, T. Gutmann, G. Buntkowsky, S. Kaskel, Journal of Catalysis 377 (2019) 41–50.","apa":"Nguyen, K. D., Kutzscher, C., Ehrling, S., Senkovska, I., Bon, V., Oliveira, M., Gutmann, T., Buntkowsky, G., & Kaskel, S. (2019). Insights into the role of zirconium in proline functionalized metal-organic frameworks attaining high enantio- and diastereoselectivity. Journal of Catalysis, 377, 41–50. https://doi.org/10.1016/j.jcat.2019.07.003"},"page":"41–50","intvolume":" 377","year":"2019","user_id":"100715","_id":"64019","language":[{"iso":"eng"}],"extern":"1","keyword":["-proline","-selective aldol reaction","Chirality","Metal-organic framework","Zirconium"],"type":"journal_article","publication":"Journal of Catalysis","status":"public","abstract":[{"lang":"eng","text":"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."}]},{"year":"2019","intvolume":" 9","page":"6180–6190","citation":{"apa":"Oliveira, M., Seeburg, D., Weiß, J., Wohlrab, S., Buntkowsky, G., Bentrup, U., & Gutmann, T. (2019). Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR. Catalysis Science & Technology, 9(21), 6180–6190. https://doi.org/10.1039/C9CY01410A","mla":"Oliveira, Marcos, et al. “Structural Characterization of Vanadium Environments in MCM-41 Molecular Sieve Catalysts by Solid State 51V NMR.” Catalysis Science & Technology, vol. 9, no. 21, The Royal Society of Chemistry, 2019, pp. 6180–6190, doi:10.1039/C9CY01410A.","bibtex":"@article{Oliveira_Seeburg_Weiß_Wohlrab_Buntkowsky_Bentrup_Gutmann_2019, title={Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR}, volume={9}, DOI={10.1039/C9CY01410A}, number={21}, journal={Catalysis Science & Technology}, publisher={The Royal Society of Chemistry}, author={Oliveira, Marcos and Seeburg, Dominik and Weiß, Jana and Wohlrab, Sebastian and Buntkowsky, Gerd and Bentrup, Ursula and Gutmann, Torsten}, year={2019}, pages={6180–6190} }","short":"M. Oliveira, D. Seeburg, J. Weiß, S. Wohlrab, G. Buntkowsky, U. Bentrup, T. Gutmann, Catalysis Science & Technology 9 (2019) 6180–6190.","ama":"Oliveira M, Seeburg D, Weiß J, et al. Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR. Catalysis Science & Technology. 2019;9(21):6180–6190. doi:10.1039/C9CY01410A","ieee":"M. Oliveira et al., “Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR,” Catalysis Science & Technology, vol. 9, no. 21, pp. 6180–6190, 2019, doi: 10.1039/C9CY01410A.","chicago":"Oliveira, Marcos, Dominik Seeburg, Jana Weiß, Sebastian Wohlrab, Gerd Buntkowsky, Ursula Bentrup, and Torsten Gutmann. “Structural Characterization of Vanadium Environments in MCM-41 Molecular Sieve Catalysts by Solid State 51V NMR.” Catalysis Science & Technology 9, no. 21 (2019): 6180–6190. https://doi.org/10.1039/C9CY01410A."},"publication_identifier":{"issn":["2044-4753"]},"issue":"21","title":"Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR","doi":"10.1039/C9CY01410A","date_updated":"2026-02-17T16:14:18Z","publisher":"The Royal Society of Chemistry","volume":9,"author":[{"first_name":"Marcos","last_name":"Oliveira","full_name":"Oliveira, Marcos"},{"last_name":"Seeburg","full_name":"Seeburg, Dominik","first_name":"Dominik"},{"first_name":"Jana","last_name":"Weiß","full_name":"Weiß, Jana"},{"first_name":"Sebastian","last_name":"Wohlrab","full_name":"Wohlrab, Sebastian"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"first_name":"Ursula","full_name":"Bentrup, Ursula","last_name":"Bentrup"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"}],"date_created":"2026-02-07T16:04:18Z","abstract":[{"lang":"eng","text":"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."}],"status":"public","publication":"Catalysis Science & Technology","type":"journal_article","extern":"1","language":[{"iso":"eng"}],"_id":"64023","user_id":"100715"},{"publication_identifier":{"issn":["1613-7507"]},"issue":"12","year":"2019","citation":{"chicago":"Kumari, Bharti, Martin Brodrecht, Torsten Gutmann, Hergen Breitzke, and Gerd Buntkowsky. “Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG.” Applied Magnetic Resonance 50, no. 12 (2019): 1399–1407. https://doi.org/10.1007/s00723-019-01156-2.","ieee":"B. Kumari, M. Brodrecht, T. Gutmann, H. Breitzke, and G. Buntkowsky, “Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG,” Applied Magnetic Resonance, vol. 50, no. 12, pp. 1399–1407, 2019, doi: 10.1007/s00723-019-01156-2.","ama":"Kumari B, Brodrecht M, Gutmann T, Breitzke H, Buntkowsky G. Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG. Applied Magnetic Resonance. 2019;50(12):1399–1407. doi:10.1007/s00723-019-01156-2","apa":"Kumari, B., Brodrecht, M., Gutmann, T., Breitzke, H., & Buntkowsky, G. (2019). Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG. Applied Magnetic Resonance, 50(12), 1399–1407. https://doi.org/10.1007/s00723-019-01156-2","bibtex":"@article{Kumari_Brodrecht_Gutmann_Breitzke_Buntkowsky_2019, title={Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG}, volume={50}, DOI={10.1007/s00723-019-01156-2}, number={12}, journal={Applied Magnetic Resonance}, author={Kumari, Bharti and Brodrecht, Martin and Gutmann, Torsten and Breitzke, Hergen and Buntkowsky, Gerd}, year={2019}, pages={1399–1407} }","short":"B. Kumari, M. Brodrecht, T. Gutmann, H. Breitzke, G. Buntkowsky, Applied Magnetic Resonance 50 (2019) 1399–1407.","mla":"Kumari, Bharti, et al. “Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG.” Applied Magnetic Resonance, vol. 50, no. 12, 2019, pp. 1399–1407, doi:10.1007/s00723-019-01156-2."},"page":"1399–1407","intvolume":" 50","date_updated":"2026-02-17T16:15:43Z","date_created":"2026-02-07T15:53:21Z","author":[{"first_name":"Bharti","last_name":"Kumari","full_name":"Kumari, Bharti"},{"first_name":"Martin","full_name":"Brodrecht, Martin","last_name":"Brodrecht"},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"first_name":"Hergen","full_name":"Breitzke, Hergen","last_name":"Breitzke"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"volume":50,"title":"Efficient Referencing of FSLG CPMAS HETCOR Spectra Using 2D 1H–1H MAS FSLG","doi":"10.1007/s00723-019-01156-2","type":"journal_article","publication":"Applied Magnetic Resonance","abstract":[{"lang":"eng","text":"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."}],"status":"public","_id":"64001","user_id":"100715","language":[{"iso":"eng"}],"extern":"1"},{"title":"Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy","doi":"10.1039/c9cy00684b","date_updated":"2026-02-17T16:16:33Z","date_created":"2026-02-07T15:47:21Z","author":[{"first_name":"V.","last_name":"Klimavicius","full_name":"Klimavicius, V."},{"first_name":"S.","full_name":"Neumann, S.","last_name":"Neumann"},{"last_name":"Kunz","full_name":"Kunz, S.","first_name":"S."},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"G.","full_name":"Buntkowsky, G.","last_name":"Buntkowsky"}],"volume":9,"year":"2019","citation":{"chicago":"Klimavicius, V., S. Neumann, S. Kunz, Torsten Gutmann, and G. Buntkowsky. “Room Temperature CO Oxidation Catalysed by Supported Pt Nanoparticles Revealed by Solid-State NMR and DNP Spectroscopy.” Catalysis Science & Technology 9, no. 14 (2019): 3743–3752. https://doi.org/10.1039/c9cy00684b.","ieee":"V. Klimavicius, S. Neumann, S. Kunz, T. Gutmann, and G. Buntkowsky, “Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy,” Catalysis Science & Technology, vol. 9, no. 14, pp. 3743–3752, 2019, doi: 10.1039/c9cy00684b.","ama":"Klimavicius V, Neumann S, Kunz S, Gutmann T, Buntkowsky G. Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy. Catalysis Science & Technology. 2019;9(14):3743–3752. doi:10.1039/c9cy00684b","apa":"Klimavicius, V., Neumann, S., Kunz, S., Gutmann, T., & Buntkowsky, G. (2019). Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy. Catalysis Science & Technology, 9(14), 3743–3752. https://doi.org/10.1039/c9cy00684b","bibtex":"@article{Klimavicius_Neumann_Kunz_Gutmann_Buntkowsky_2019, title={Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy}, volume={9}, DOI={10.1039/c9cy00684b}, number={14}, journal={Catalysis Science & Technology}, author={Klimavicius, V. and Neumann, S. and Kunz, S. and Gutmann, Torsten and Buntkowsky, G.}, year={2019}, pages={3743–3752} }","mla":"Klimavicius, V., et al. “Room Temperature CO Oxidation Catalysed by Supported Pt Nanoparticles Revealed by Solid-State NMR and DNP Spectroscopy.” Catalysis Science & Technology, vol. 9, no. 14, 2019, pp. 3743–3752, doi:10.1039/c9cy00684b.","short":"V. Klimavicius, S. Neumann, S. Kunz, T. Gutmann, G. Buntkowsky, Catalysis Science & Technology 9 (2019) 3743–3752."},"page":"3743–3752","intvolume":" 9","publication_identifier":{"issn":["2044-4753"]},"issue":"14","keyword":["Chemistry","gamma-alumina","hydrogenation","silica","c-13","interactions","metal-catalysts","particle-size","platinum nanoparticles","sites","surface","water-gas shift"],"language":[{"iso":"eng"}],"extern":"1","_id":"63991","user_id":"100715","abstract":[{"text":"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.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Catalysis Science & Technology"},{"publication_identifier":{"issn":["1613-7507"]},"issue":"7","year":"2019","page":"895–902","intvolume":" 50","citation":{"ama":"Hadjiali S, Savka R, Plaumann M, et al. Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. Applied Magnetic Resonance. 2019;50(7):895–902. doi:10.1007/s00723-019-01115-x","ieee":"S. Hadjiali et al., “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands,” Applied Magnetic Resonance, vol. 50, no. 7, pp. 895–902, 2019, doi: 10.1007/s00723-019-01115-x.","chicago":"Hadjiali, S., R. Savka, M. Plaumann, U. Bommerich, S. Bothe, Torsten Gutmann, T. Ratajczyk, et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” Applied Magnetic Resonance 50, no. 7 (2019): 895–902. https://doi.org/10.1007/s00723-019-01115-x.","apa":"Hadjiali, S., Savka, R., Plaumann, M., Bommerich, U., Bothe, S., Gutmann, T., Ratajczyk, T., Bernarding, J., Limbach, H. H., Plenio, H., & Buntkowsky, G. (2019). Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. Applied Magnetic Resonance, 50(7), 895–902. https://doi.org/10.1007/s00723-019-01115-x","short":"S. Hadjiali, R. Savka, M. Plaumann, U. Bommerich, S. Bothe, T. Gutmann, T. Ratajczyk, J. Bernarding, H.H. Limbach, H. Plenio, G. Buntkowsky, Applied Magnetic Resonance 50 (2019) 895–902.","mla":"Hadjiali, S., et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” Applied Magnetic Resonance, vol. 50, no. 7, 2019, pp. 895–902, doi:10.1007/s00723-019-01115-x.","bibtex":"@article{Hadjiali_Savka_Plaumann_Bommerich_Bothe_Gutmann_Ratajczyk_Bernarding_Limbach_Plenio_et al._2019, title={Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands}, volume={50}, DOI={10.1007/s00723-019-01115-x}, number={7}, journal={Applied Magnetic Resonance}, 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 et al.}, year={2019}, pages={895–902} }"},"date_updated":"2026-02-17T16:17:34Z","volume":50,"date_created":"2026-02-07T15:40:18Z","author":[{"first_name":"S.","last_name":"Hadjiali","full_name":"Hadjiali, S."},{"first_name":"R.","full_name":"Savka, R.","last_name":"Savka"},{"last_name":"Plaumann","full_name":"Plaumann, M.","first_name":"M."},{"last_name":"Bommerich","full_name":"Bommerich, U.","first_name":"U."},{"last_name":"Bothe","full_name":"Bothe, S.","first_name":"S."},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"first_name":"T.","last_name":"Ratajczyk","full_name":"Ratajczyk, T."},{"first_name":"J.","full_name":"Bernarding, J.","last_name":"Bernarding"},{"first_name":"H. H.","full_name":"Limbach, H. H.","last_name":"Limbach"},{"full_name":"Plenio, H.","last_name":"Plenio","first_name":"H."},{"first_name":"G.","last_name":"Buntkowsky","full_name":"Buntkowsky, G."}],"title":"Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands","doi":"10.1007/s00723-019-01115-x","publication":"Applied Magnetic Resonance","type":"journal_article","abstract":[{"text":"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.","lang":"eng"}],"status":"public","_id":"63969","user_id":"100715","keyword":["dynamic nuclear-polarization","hyperpolarization","enhancement","hydrogen induced polarization","olefin-metathesis catalysts","parahydrogen-induced polarization","peptides","Physics","sabre","spectroscopy"],"language":[{"iso":"eng"}],"extern":"1"},{"year":"2019","page":"1–82","intvolume":" 97","citation":{"ama":"Gutmann T, Groszewicz PB, Buntkowsky G. Solid-state NMR of nanocrystals. Annual Reports on NMR Spectroscopy. 2019;97:1–82. doi:10.1016/bs.arnmr.2018.12.001","ieee":"T. Gutmann, P. B. Groszewicz, and G. Buntkowsky, “Solid-state NMR of nanocrystals,” Annual Reports on NMR Spectroscopy, vol. 97, pp. 1–82, 2019, doi: 10.1016/bs.arnmr.2018.12.001.","chicago":"Gutmann, Torsten, Pedro B. Groszewicz, and Gerd Buntkowsky. “Solid-State NMR of Nanocrystals.” Annual Reports on NMR Spectroscopy 97 (2019): 1–82. https://doi.org/10.1016/bs.arnmr.2018.12.001.","apa":"Gutmann, T., Groszewicz, P. B., & Buntkowsky, G. (2019). Solid-state NMR of nanocrystals. Annual Reports on NMR Spectroscopy, 97, 1–82. https://doi.org/10.1016/bs.arnmr.2018.12.001","mla":"Gutmann, Torsten, et al. “Solid-State NMR of Nanocrystals.” Annual Reports on NMR Spectroscopy, vol. 97, 2019, pp. 1–82, doi:10.1016/bs.arnmr.2018.12.001.","short":"T. Gutmann, P.B. Groszewicz, G. Buntkowsky, Annual Reports on NMR Spectroscopy 97 (2019) 1–82.","bibtex":"@article{Gutmann_Groszewicz_Buntkowsky_2019, title={Solid-state NMR of nanocrystals}, volume={97}, DOI={10.1016/bs.arnmr.2018.12.001}, journal={Annual Reports on NMR Spectroscopy}, author={Gutmann, Torsten and Groszewicz, Pedro B. and Buntkowsky, Gerd}, year={2019}, pages={1–82} }"},"title":"Solid-state NMR of nanocrystals","doi":"10.1016/bs.arnmr.2018.12.001","date_updated":"2026-02-17T16:17:56Z","volume":97,"date_created":"2026-02-07T15:37:03Z","author":[{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Pedro B.","last_name":"Groszewicz","full_name":"Groszewicz, Pedro B."},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"abstract":[{"lang":"eng","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."}],"status":"public","publication":"Annual Reports on NMR Spectroscopy","type":"journal_article","keyword":["solid-state nmr","heterogeneous catalysis","dynamic nuclear polarization","Ferroelectrics","Nanocatalysis","Surface reactions"],"extern":"1","language":[{"iso":"eng"}],"_id":"63960","user_id":"100715"},{"issue":"11","year":"2019","citation":{"ama":"Brodrecht M, Herr K, Bothe S, de Oliveira Jr. M, Gutmann T, Buntkowsky G. Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications. ChemPhysChem. 2019;20(11):1475–1487. doi:10.1002/cphc.201900211","ieee":"M. Brodrecht, K. Herr, S. Bothe, M. de Oliveira Jr., T. Gutmann, and G. Buntkowsky, “Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications,” ChemPhysChem, vol. 20, no. 11, pp. 1475–1487, 2019, doi: 10.1002/cphc.201900211.","chicago":"Brodrecht, Martin, Kevin Herr, Sarah Bothe, Marcos de Oliveira Jr., Torsten Gutmann, and Gerd Buntkowsky. “Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications.” ChemPhysChem 20, no. 11 (2019): 1475–1487. https://doi.org/10.1002/cphc.201900211.","short":"M. Brodrecht, K. Herr, S. Bothe, M. de Oliveira Jr., T. Gutmann, G. Buntkowsky, ChemPhysChem 20 (2019) 1475–1487.","mla":"Brodrecht, Martin, et al. “Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications.” ChemPhysChem, vol. 20, no. 11, 2019, pp. 1475–1487, doi:10.1002/cphc.201900211.","bibtex":"@article{Brodrecht_Herr_Bothe_de Oliveira Jr._Gutmann_Buntkowsky_2019, title={Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications}, volume={20}, DOI={10.1002/cphc.201900211}, number={11}, journal={ChemPhysChem}, author={Brodrecht, Martin and Herr, Kevin and Bothe, Sarah and de Oliveira Jr., Marcos and Gutmann, Torsten and Buntkowsky, Gerd}, year={2019}, pages={1475–1487} }","apa":"Brodrecht, M., Herr, K., Bothe, S., de Oliveira Jr., M., Gutmann, T., & Buntkowsky, G. (2019). Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications. ChemPhysChem, 20(11), 1475–1487. https://doi.org/10.1002/cphc.201900211"},"page":"1475–1487","intvolume":" 20","date_updated":"2026-02-17T16:19:05Z","date_created":"2026-02-07T09:01:25Z","author":[{"full_name":"Brodrecht, Martin","last_name":"Brodrecht","first_name":"Martin"},{"first_name":"Kevin","last_name":"Herr","full_name":"Herr, Kevin"},{"last_name":"Bothe","full_name":"Bothe, Sarah","first_name":"Sarah"},{"first_name":"Marcos","last_name":"de Oliveira Jr.","full_name":"de Oliveira Jr., Marcos"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"volume":20,"title":"Efficient Building Blocks for Solid-Phase Peptide Synthesis of Spin Labeled Peptides for Electron Paramagnetic Resonance and Dynamic Nuclear Polarization Applications","doi":"10.1002/cphc.201900211","type":"journal_article","publication":"ChemPhysChem","abstract":[{"text":"Abstract Specific spin labeling allows the site-selective investigation of biomolecules by EPR and DNP enhanced NMR spectroscopy. A novel spin labeling strategy for commercially available Fmoc-amino acids is developed. In this approach, the PROXYL spin label is covalently attached to the hydroxyl side chain of three amino acids hydroxyproline (Hyp), serine (Ser) and tyrosine (Tyr) by a simple three-step synthesis route. The obtained PROXYL containing building-blocks are N-terminally protected by the Fmoc-protection group, which makes them applicable for the use in solid-phase peptide synthesis (SPPS). This approach allows the insertion of the spin label at any desired position during SPPS, which makes it more versatile than the widely used post synthetic spin labeling strategies. For the final building-blocks, the radical activity is proven by EPR. DNP enhanced solid-state NMR experiments employing these building-blocks in a TCE solution show enhancement factors of up to 26 for 1H and 13C (1H→13C cross-polarization). To proof the viability of the presented building-blocks for insertion of the spin label during SPPS the penta-peptide Acetyl-Gly-Ser(PROXYL)-Gly-Gly-Gly was synthesized employing the spin labeled Ser building-block. This peptide could successfully be isolated and the spin label activity proved by EPR and DNP NMR measurements, showing enhancement factors of 12.1±0.1 for 1H and 13.9±0.5 for 13C (direct polarization).","lang":"eng"}],"status":"public","_id":"63930","user_id":"100715","extern":"1","language":[{"iso":"eng"}]},{"_id":"63931","user_id":"100715","extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"Chemistry A European Journal","abstract":[{"lang":"eng","text":"Abstract The structure and surface functionalization of biologically relevant silica-based hybrid materials was investigated by 2D solid-state NMR techniques combined with dynamic nuclear polarization (DNP). This approach was applied to a model system of mesoporous silica, which was modified through in-pore grafting of small peptides by solid-phase peptide synthesis (SPPS). To prove the covalent binding of the peptides on the surface, DNP-enhanced solid-state NMR was used for the detection of 15N NMR signals in natural abundance. DNP-enhanced heterocorrelation experiments with frequency switched Lee–Goldburg homonuclear proton decoupling (1H–13C and 1H–15N CP MAS FSLG HETCOR) were performed to verify the primary structure and configuration of the synthesized peptides. 1H FSLG spectra and 1H-29Si FSLG HETCOR correlation spectra were recorded to investigate the orientation of the amino acid residues with respect to the silica surface. The combination of these NMR techniques provides detailed insights into the structure of amino acid functionalized hybrid compounds and allows for the understanding for each synthesis step during the in-pore SPPS."}],"status":"public","date_updated":"2026-02-17T16:19:01Z","author":[{"first_name":"Martin","last_name":"Brodrecht","full_name":"Brodrecht, Martin"},{"last_name":"Kumari","full_name":"Kumari, Bharti","first_name":"Bharti"},{"last_name":"Thankamony","full_name":"Thankamony, A. S. Sofia Lilly","first_name":"A. S. Sofia Lilly"},{"first_name":"Hergen","last_name":"Breitzke","full_name":"Breitzke, Hergen"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"date_created":"2026-02-07T09:01:45Z","volume":25,"title":"Structural Insights into Peptides Bound to the Surface of Silica Nanopores","doi":"10.1002/chem.201805480","issue":"20","year":"2019","citation":{"mla":"Brodrecht, Martin, et al. “Structural Insights into Peptides Bound to the Surface of Silica Nanopores.” Chemistry A European Journal, vol. 25, no. 20, 2019, pp. 5214–5221, doi:10.1002/chem.201805480.","short":"M. Brodrecht, B. Kumari, A.S.S.L. Thankamony, H. Breitzke, T. Gutmann, G. Buntkowsky, Chemistry A European Journal 25 (2019) 5214–5221.","bibtex":"@article{Brodrecht_Kumari_Thankamony_Breitzke_Gutmann_Buntkowsky_2019, title={Structural Insights into Peptides Bound to the Surface of Silica Nanopores}, volume={25}, DOI={10.1002/chem.201805480}, number={20}, journal={Chemistry A European Journal}, author={Brodrecht, Martin and Kumari, Bharti and Thankamony, A. S. Sofia Lilly and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2019}, pages={5214–5221} }","apa":"Brodrecht, M., Kumari, B., Thankamony, A. S. S. L., Breitzke, H., Gutmann, T., & Buntkowsky, G. (2019). Structural Insights into Peptides Bound to the Surface of Silica Nanopores. Chemistry A European Journal, 25(20), 5214–5221. https://doi.org/10.1002/chem.201805480","ama":"Brodrecht M, Kumari B, Thankamony ASSL, Breitzke H, Gutmann T, Buntkowsky G. Structural Insights into Peptides Bound to the Surface of Silica Nanopores. Chemistry A European Journal. 2019;25(20):5214–5221. doi:10.1002/chem.201805480","chicago":"Brodrecht, Martin, Bharti Kumari, A. S. Sofia Lilly Thankamony, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “Structural Insights into Peptides Bound to the Surface of Silica Nanopores.” Chemistry A European Journal 25, no. 20 (2019): 5214–5221. https://doi.org/10.1002/chem.201805480.","ieee":"M. Brodrecht, B. Kumari, A. S. S. L. Thankamony, H. Breitzke, T. Gutmann, and G. Buntkowsky, “Structural Insights into Peptides Bound to the Surface of Silica Nanopores,” Chemistry A European Journal, vol. 25, no. 20, pp. 5214–5221, 2019, doi: 10.1002/chem.201805480."},"page":"5214–5221","intvolume":" 25"}]