[{"keyword":["solid-state nmr","Ansa-ferrocene","DFT calculations","Oligophosphine","Polyphosphane","Ring-opening polymerization"],"language":[{"iso":"eng"}],"extern":"1","_id":"63943","user_id":"100715","abstract":[{"text":"A lithium halide exchange reaction at low-temperature, via the treatment of 2,6-di(isopropyl)phenyllithium on 1,1′-bis-(dichlorophosphino)ferrocene, resulted in the first isolated example of an aryl-substituted diphospha [2]ferrocenophane (diphospha [2]FCP) 2. Although compound 2 did not show any recognizable thermal reaction at higher temperature (up to 350 °C), its tert-butyl-substituted counterpart 1 underwent a clean selective heat-mediated P–C cleavage reaction, followed by an inter-molecular rearrangement, to produce a P–P fused bis [3]ferrocenophane 3 with all-trans oriented P-chain, which upon further heating gave a polyferrocenylphosphane tBu-[Fc’P2]n-tBu (4). Since polymer 4 is insoluble in common organic solvents, it has been characterized with solid-state techniques, including solid-state NMR. Density functional theory (DFT) has further been employed to identify possible pathways for P–C bond cleavage on 1 and 2, as well as to evaluate accessible pathways for further polymerization toward 4.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Polymer","title":"Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles","date_updated":"2026-02-17T16:18:36Z","author":[{"first_name":"Subhayan","last_name":"Dey","full_name":"Dey, Subhayan"},{"first_name":"Denis","full_name":"Kargin, Denis","last_name":"Kargin"},{"last_name":"Höfler","full_name":"Höfler, Mark V.","first_name":"Mark V."},{"full_name":"Szathmari, Balazs","last_name":"Szathmari","first_name":"Balazs"},{"last_name":"Bruhn","full_name":"Bruhn, Clemens","first_name":"Clemens"},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"last_name":"Kelemen","full_name":"Kelemen, Zsolt","first_name":"Zsolt"},{"last_name":"Pietschnig","full_name":"Pietschnig, Rudolf","first_name":"Rudolf"}],"date_created":"2026-02-07T09:10:38Z","volume":242,"year":"2022","citation":{"apa":"Dey, S., Kargin, D., Höfler, M. V., Szathmari, B., Bruhn, C., Gutmann, T., Kelemen, Z., &#38; Pietschnig, R. (2022). Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles. <i>Polymer</i>, <i>242</i>, 124589.","bibtex":"@article{Dey_Kargin_Höfler_Szathmari_Bruhn_Gutmann_Kelemen_Pietschnig_2022, title={Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles}, volume={242}, journal={Polymer}, author={Dey, Subhayan and Kargin, Denis and Höfler, Mark V. and Szathmari, Balazs and Bruhn, Clemens and Gutmann, Torsten and Kelemen, Zsolt and Pietschnig, Rudolf}, year={2022}, pages={124589} }","mla":"Dey, Subhayan, et al. “Oligo- and Polymerization of Phospha [2]Ferrocenophanes to One Dimensional Phosphorus Chains with Ferrocenylene Handles.” <i>Polymer</i>, vol. 242, 2022, p. 124589.","short":"S. Dey, D. Kargin, M.V. Höfler, B. Szathmari, C. Bruhn, T. Gutmann, Z. Kelemen, R. Pietschnig, Polymer 242 (2022) 124589.","ama":"Dey S, Kargin D, Höfler MV, et al. Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles. <i>Polymer</i>. 2022;242:124589.","ieee":"S. Dey <i>et al.</i>, “Oligo- and polymerization of phospha [2]ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles,” <i>Polymer</i>, vol. 242, p. 124589, 2022.","chicago":"Dey, Subhayan, Denis Kargin, Mark V. Höfler, Balazs Szathmari, Clemens Bruhn, Torsten Gutmann, Zsolt Kelemen, and Rudolf Pietschnig. “Oligo- and Polymerization of Phospha [2]Ferrocenophanes to One Dimensional Phosphorus Chains with Ferrocenylene Handles.” <i>Polymer</i> 242 (2022): 124589."},"page":"124589","intvolume":"       242"},{"status":"public","type":"journal_article","publication":"Zeitschrift für Physikalische Chemie","language":[{"iso":"eng"}],"extern":"1","_id":"63934","user_id":"100715","year":"2022","citation":{"apa":"Buntkowsky, G., Döller, S., Haro-Mares, N., Gutmann, T., &#38; Hoffmann, M. (2022). Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica. <i>Zeitschrift Für Physikalische Chemie</i>, <i>236</i>(6–8), 939–960. <a href=\"https://doi.org/10.1515/zpch-2021-3132\">https://doi.org/10.1515/zpch-2021-3132</a>","mla":"Buntkowsky, Gerd, et al. “Solid-State NMR Studies of Non-Ionic Surfactants Confined in Mesoporous Silica.” <i>Zeitschrift Für Physikalische Chemie</i>, vol. 236, no. 6–8, 2022, pp. 939–960, doi:<a href=\"https://doi.org/10.1515/zpch-2021-3132\">10.1515/zpch-2021-3132</a>.","bibtex":"@article{Buntkowsky_Döller_Haro-Mares_Gutmann_Hoffmann_2022, title={Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica}, volume={236}, DOI={<a href=\"https://doi.org/10.1515/zpch-2021-3132\">10.1515/zpch-2021-3132</a>}, number={6–8}, journal={Zeitschrift für Physikalische Chemie}, author={Buntkowsky, Gerd and Döller, Sonja and Haro-Mares, Nadia and Gutmann, Torsten and Hoffmann, Markus}, year={2022}, pages={939–960} }","short":"G. Buntkowsky, S. Döller, N. Haro-Mares, T. Gutmann, M. Hoffmann, Zeitschrift Für Physikalische Chemie 236 (2022) 939–960.","ieee":"G. Buntkowsky, S. Döller, N. Haro-Mares, T. Gutmann, and M. Hoffmann, “Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica,” <i>Zeitschrift für Physikalische Chemie</i>, vol. 236, no. 6–8, pp. 939–960, 2022, doi: <a href=\"https://doi.org/10.1515/zpch-2021-3132\">10.1515/zpch-2021-3132</a>.","chicago":"Buntkowsky, Gerd, Sonja Döller, Nadia Haro-Mares, Torsten Gutmann, and Markus Hoffmann. “Solid-State NMR Studies of Non-Ionic Surfactants Confined in Mesoporous Silica.” <i>Zeitschrift Für Physikalische Chemie</i> 236, no. 6–8 (2022): 939–960. <a href=\"https://doi.org/10.1515/zpch-2021-3132\">https://doi.org/10.1515/zpch-2021-3132</a>.","ama":"Buntkowsky G, Döller S, Haro-Mares N, Gutmann T, Hoffmann M. Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica. <i>Zeitschrift für Physikalische Chemie</i>. 2022;236(6-8):939–960. doi:<a href=\"https://doi.org/10.1515/zpch-2021-3132\">10.1515/zpch-2021-3132</a>"},"intvolume":"       236","page":"939–960","issue":"6-8","title":"Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica","doi":"10.1515/zpch-2021-3132","date_updated":"2026-02-17T16:18:55Z","author":[{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"},{"full_name":"Döller, Sonja","last_name":"Döller","first_name":"Sonja"},{"first_name":"Nadia","last_name":"Haro-Mares","full_name":"Haro-Mares, Nadia"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"last_name":"Hoffmann","full_name":"Hoffmann, Markus","first_name":"Markus"}],"date_created":"2026-02-07T09:04:06Z","volume":236},{"date_updated":"2026-02-17T16:18:59Z","author":[{"first_name":"G.","last_name":"Buntkowsky","full_name":"Buntkowsky, G."},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"}],"date_created":"2026-02-07T09:02:44Z","volume":5,"title":"PASADENA NMR","year":"2022","citation":{"chicago":"Buntkowsky, G., and Torsten Gutmann. “PASADENA NMR.” <i>Nature Catalysis</i> 5 (2022): 848–849.","ieee":"G. Buntkowsky and T. Gutmann, “PASADENA NMR,” <i>Nature Catalysis</i>, vol. 5, pp. 848–849, 2022.","ama":"Buntkowsky G, Gutmann T. PASADENA NMR. <i>Nature Catalysis</i>. 2022;5:848–849.","apa":"Buntkowsky, G., &#38; Gutmann, T. (2022). PASADENA NMR. <i>Nature Catalysis</i>, <i>5</i>, 848–849.","short":"G. Buntkowsky, T. Gutmann, Nature Catalysis 5 (2022) 848–849.","mla":"Buntkowsky, G., and Torsten Gutmann. “PASADENA NMR.” <i>Nature Catalysis</i>, vol. 5, 2022, pp. 848–849.","bibtex":"@article{Buntkowsky_Gutmann_2022, title={PASADENA NMR}, volume={5}, journal={Nature Catalysis}, author={Buntkowsky, G. and Gutmann, Torsten}, year={2022}, pages={848–849} }"},"intvolume":"         5","page":"848–849","_id":"63932","user_id":"100715","language":[{"iso":"eng"}],"extern":"1","type":"journal_article","publication":"Nature Catalysis","status":"public"},{"year":"2022","intvolume":"        27","page":"3252","citation":{"mla":"Asanbaeva, Nargiz B., et al. “Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization.” <i>Molecules</i>, vol. 27, no. 10, 2022, p. 3252, doi:<a href=\"https://doi.org/10.3390/molecules27103252\">10.3390/molecules27103252</a>.","bibtex":"@article{Asanbaeva_Gurskaya_Polienko_Rybalova_Kazantsev_Dmitriev_Gritsan_Haro-Mares_Gutmann_Buntkowsky_et al._2022, title={Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization}, volume={27}, DOI={<a href=\"https://doi.org/10.3390/molecules27103252\">10.3390/molecules27103252</a>}, number={10}, journal={Molecules}, author={Asanbaeva, Nargiz B. and Gurskaya, Larisa Yu and Polienko, Yuliya F. and Rybalova, Tatyana V. and Kazantsev, Maxim S. and Dmitriev, Alexey A. and Gritsan, Nina P. and Haro-Mares, Nadia and Gutmann, Torsten and Buntkowsky, Gerd and et al.}, year={2022}, pages={3252} }","short":"N.B. Asanbaeva, L.Y. Gurskaya, Y.F. Polienko, T.V. Rybalova, M.S. Kazantsev, A.A. Dmitriev, N.P. Gritsan, N. Haro-Mares, T. Gutmann, G. Buntkowsky, E.V. Tretyakov, E.G. Bagryanskaya, Molecules 27 (2022) 3252.","apa":"Asanbaeva, N. B., Gurskaya, L. Y., Polienko, Y. F., Rybalova, T. V., Kazantsev, M. S., Dmitriev, A. A., Gritsan, N. P., Haro-Mares, N., Gutmann, T., Buntkowsky, G., Tretyakov, E. V., &#38; Bagryanskaya, E. G. (2022). Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization. <i>Molecules</i>, <i>27</i>(10), 3252. <a href=\"https://doi.org/10.3390/molecules27103252\">https://doi.org/10.3390/molecules27103252</a>","ieee":"N. B. Asanbaeva <i>et al.</i>, “Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization,” <i>Molecules</i>, vol. 27, no. 10, p. 3252, 2022, doi: <a href=\"https://doi.org/10.3390/molecules27103252\">10.3390/molecules27103252</a>.","chicago":"Asanbaeva, Nargiz B., Larisa Yu Gurskaya, Yuliya F. Polienko, Tatyana V. Rybalova, Maxim S. Kazantsev, Alexey A. Dmitriev, Nina P. Gritsan, et al. “Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization.” <i>Molecules</i> 27, no. 10 (2022): 3252. <a href=\"https://doi.org/10.3390/molecules27103252\">https://doi.org/10.3390/molecules27103252</a>.","ama":"Asanbaeva NB, Gurskaya LY, Polienko YF, et al. Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization. <i>Molecules</i>. 2022;27(10):3252. doi:<a href=\"https://doi.org/10.3390/molecules27103252\">10.3390/molecules27103252</a>"},"publication_identifier":{"issn":["1420-3049"]},"issue":"10","title":"Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization","doi":"10.3390/molecules27103252","date_updated":"2026-02-20T08:13:29Z","volume":27,"author":[{"first_name":"Nargiz B.","full_name":"Asanbaeva, Nargiz B.","last_name":"Asanbaeva"},{"full_name":"Gurskaya, Larisa Yu","last_name":"Gurskaya","first_name":"Larisa Yu"},{"full_name":"Polienko, Yuliya F.","last_name":"Polienko","first_name":"Yuliya F."},{"last_name":"Rybalova","full_name":"Rybalova, Tatyana V.","first_name":"Tatyana V."},{"last_name":"Kazantsev","full_name":"Kazantsev, Maxim S.","first_name":"Maxim S."},{"first_name":"Alexey A.","full_name":"Dmitriev, Alexey A.","last_name":"Dmitriev"},{"last_name":"Gritsan","full_name":"Gritsan, Nina P.","first_name":"Nina P."},{"first_name":"Nadia","full_name":"Haro-Mares, Nadia","last_name":"Haro-Mares"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"},{"last_name":"Tretyakov","full_name":"Tretyakov, Evgeny V.","first_name":"Evgeny V."},{"first_name":"Elena G.","full_name":"Bagryanskaya, Elena G.","last_name":"Bagryanskaya"}],"date_created":"2026-02-07T08:57:49Z","status":"public","publication":"Molecules","type":"journal_article","extern":"1","language":[{"iso":"eng"}],"_id":"63923","user_id":"100715"},{"issue":"18","year":"2021","date_created":"2026-02-07T16:14:11Z","publisher":"John Wiley & Sons, Ltd","title":"Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR","publication":"Chemphyschem","abstract":[{"lang":"eng","text":"Abstract Estuaries are key ecosystems with unique biodiversity and are of high economic importance. Along the estuaries, variations in environmental parameters, such as salinity and light penetration, can modify the characteristics of dissolved organic matter (DOM). Nevertheless, there is still limited information about the atomic-level transformations of DOM in this ecosystem. Solid-state NMR spectroscopy provides unique insights into the nature of functional groups in DOM. A major limitation of this technique is its lack of sensivity, which results in experimental time of tens of hours for the acquisition of 13C NMR spectra and generally precludes the observation of 15N nuclei for DOM. We show here how the sensitivity of solid-state NMR experiments on DOM of Seine estuary can be enhanced using dynamic nuclear polarization (DNP) under magic-angle spinning. This technique allows the acquisition of 13C NMR spectra of these samples in few minutes, instead of hours for conventional solid-state NMR. Both conventional and DNP-enhanced 13C NMR spectra indicate that the 13C local environments in DOM are not strongly modified along the Seine estuary. Furthermore, the sensitivity gain provided by the DNP allows the detection of 15N NMR signal of DOM, in spite of the low nitrogen content. These spectra reveal that the majority of nitrogen is in the amide form in these DOM samples and show an increased disorder around these amide groups near the mouth of the Seine."}],"language":[{"iso":"eng"}],"keyword":["dynamic nuclear polarization","13C","15N","dissolved organic matter","Seine estuary"],"publication_identifier":{"issn":["1439-4235; 1439-7641"]},"citation":{"apa":"Venel, F., Nagashima, H., Rankin, A. G. M., Anquetil, C., Klimavicius, V., Gutmann, T., Buntkowsky, G., Derenne, S., Lafon, O., Huguet, A., &#38; Pourpoint, F. (2021). Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR. <i>Chemphyschem</i>, <i>22</i>(18), 1907–1913. <a href=\"https://doi.org/10.1002/cphc.202100334\">https://doi.org/10.1002/cphc.202100334</a>","mla":"Venel, Florian, et al. “Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-Enhanced 15N and 13C Solid-State NMR.” <i>Chemphyschem</i>, vol. 22, no. 18, John Wiley &#38; Sons, Ltd, 2021, pp. 1907–1913, doi:<a href=\"https://doi.org/10.1002/cphc.202100334\">10.1002/cphc.202100334</a>.","bibtex":"@article{Venel_Nagashima_Rankin_Anquetil_Klimavicius_Gutmann_Buntkowsky_Derenne_Lafon_Huguet_et al._2021, title={Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR}, volume={22}, DOI={<a href=\"https://doi.org/10.1002/cphc.202100334\">10.1002/cphc.202100334</a>}, number={18}, journal={Chemphyschem}, publisher={John Wiley &#38; Sons, Ltd}, author={Venel, Florian and Nagashima, Hiroki and Rankin, Andrew G. M. and Anquetil, Christelle and Klimavicius, Vytautas and Gutmann, Torsten and Buntkowsky, Gerd and Derenne, Sylvie and Lafon, Olivier and Huguet, Arnaud and et al.}, year={2021}, pages={1907–1913} }","short":"F. Venel, H. Nagashima, A.G.M. Rankin, C. Anquetil, V. Klimavicius, T. Gutmann, G. Buntkowsky, S. Derenne, O. Lafon, A. Huguet, F. Pourpoint, Chemphyschem 22 (2021) 1907–1913.","chicago":"Venel, Florian, Hiroki Nagashima, Andrew G. M. Rankin, Christelle Anquetil, Vytautas Klimavicius, Torsten Gutmann, Gerd Buntkowsky, et al. “Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-Enhanced 15N and 13C Solid-State NMR.” <i>Chemphyschem</i> 22, no. 18 (2021): 1907–1913. <a href=\"https://doi.org/10.1002/cphc.202100334\">https://doi.org/10.1002/cphc.202100334</a>.","ieee":"F. Venel <i>et al.</i>, “Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR,” <i>Chemphyschem</i>, vol. 22, no. 18, pp. 1907–1913, 2021, doi: <a href=\"https://doi.org/10.1002/cphc.202100334\">10.1002/cphc.202100334</a>.","ama":"Venel F, Nagashima H, Rankin AGM, et al. Characterization of Functional Groups in Estuarine Dissolved Organic Matter by DNP-enhanced 15N and 13C Solid-State NMR. <i>Chemphyschem</i>. 2021;22(18):1907–1913. doi:<a href=\"https://doi.org/10.1002/cphc.202100334\">10.1002/cphc.202100334</a>"},"page":"1907–1913","intvolume":"        22","author":[{"first_name":"Florian","full_name":"Venel, Florian","last_name":"Venel"},{"first_name":"Hiroki","full_name":"Nagashima, Hiroki","last_name":"Nagashima"},{"first_name":"Andrew G. M.","last_name":"Rankin","full_name":"Rankin, Andrew G. M."},{"first_name":"Christelle","last_name":"Anquetil","full_name":"Anquetil, Christelle"},{"full_name":"Klimavicius, Vytautas","last_name":"Klimavicius","first_name":"Vytautas"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"full_name":"Derenne, Sylvie","last_name":"Derenne","first_name":"Sylvie"},{"full_name":"Lafon, Olivier","last_name":"Lafon","first_name":"Olivier"},{"last_name":"Huguet","full_name":"Huguet, Arnaud","first_name":"Arnaud"},{"first_name":"Frédérique","last_name":"Pourpoint","full_name":"Pourpoint, Frédérique"}],"volume":22,"date_updated":"2026-02-17T16:12:56Z","doi":"10.1002/cphc.202100334","type":"journal_article","status":"public","user_id":"100715","_id":"64052","extern":"1"},{"title":"19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals","doi":"10.1021/acs.jpcc.1c01167","date_updated":"2026-02-17T16:12:59Z","publisher":"American Chemical Society","author":[{"first_name":"Kasper P.","last_name":"van der Zwan","full_name":"van der Zwan, Kasper P."},{"full_name":"Riedel, Wiebke","last_name":"Riedel","first_name":"Wiebke"},{"full_name":"Aussenac, Fabien","last_name":"Aussenac","first_name":"Fabien"},{"last_name":"Reiter","full_name":"Reiter, Christian","first_name":"Christian"},{"full_name":"Kreger, Klaus","last_name":"Kreger","first_name":"Klaus"},{"full_name":"Schmidt, Hans-Werner","last_name":"Schmidt","first_name":"Hans-Werner"},{"first_name":"Thomas","last_name":"Risse","full_name":"Risse, Thomas"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Jürgen","full_name":"Senker, Jürgen","last_name":"Senker"}],"date_created":"2026-02-07T16:13:55Z","volume":125,"year":"2021","citation":{"ama":"van der Zwan KP, Riedel W, Aussenac F, et al. 19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7287–7296. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">10.1021/acs.jpcc.1c01167</a>","chicago":"Zwan, Kasper P. van der, Wiebke Riedel, Fabien Aussenac, Christian Reiter, Klaus Kreger, Hans-Werner Schmidt, Thomas Risse, Torsten Gutmann, and Jürgen Senker. “19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals.” <i>Journal of Physical Chemistry C</i> 125, no. 13 (2021): 7287–7296. <a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">https://doi.org/10.1021/acs.jpcc.1c01167</a>.","ieee":"K. P. van der Zwan <i>et al.</i>, “19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, pp. 7287–7296, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">10.1021/acs.jpcc.1c01167</a>.","mla":"van der Zwan, Kasper P., et al. “19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, American Chemical Society, 2021, pp. 7287–7296, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">10.1021/acs.jpcc.1c01167</a>.","bibtex":"@article{van der Zwan_Riedel_Aussenac_Reiter_Kreger_Schmidt_Risse_Gutmann_Senker_2021, title={19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">10.1021/acs.jpcc.1c01167</a>}, number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={van der Zwan, Kasper P. and Riedel, Wiebke and Aussenac, Fabien and Reiter, Christian and Kreger, Klaus and Schmidt, Hans-Werner and Risse, Thomas and Gutmann, Torsten and Senker, Jürgen}, year={2021}, pages={7287–7296} }","short":"K.P. van der Zwan, W. Riedel, F. Aussenac, C. Reiter, K. Kreger, H.-W. Schmidt, T. Risse, T. Gutmann, J. Senker, Journal of Physical Chemistry C 125 (2021) 7287–7296.","apa":"van der Zwan, K. P., Riedel, W., Aussenac, F., Reiter, C., Kreger, K., Schmidt, H.-W., Risse, T., Gutmann, T., &#38; Senker, J. (2021). 19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for Solid-State NMR Spectra without Solvent and Matrix Signals. <i>Journal of Physical Chemistry C</i>, <i>125</i>(13), 7287–7296. <a href=\"https://doi.org/10.1021/acs.jpcc.1c01167\">https://doi.org/10.1021/acs.jpcc.1c01167</a>"},"page":"7287–7296","intvolume":"       125","publication_identifier":{"issn":["1932-7447"]},"issue":"13","language":[{"iso":"eng"}],"extern":"1","_id":"64051","user_id":"100715","abstract":[{"text":"The efficiency of dynamic nuclear polarization (DNP) enhanced 19F MAS NMR spectroscopy without 19F-containing solvents and matrices, which transport polarization via 19F–19F spin diffusion, is demonstrated. By preventing solvent and matrix signals respectively masking the corresponding resonances, this enables the detection of fluorinated target molecules in nanomolar amounts. As model compound, 1,3,5-tris(2-fluoro-2-methylpropionylamino)benzene (F-BTA) is investigated in a frozen 1,1,2,2-tetrachloroethane (TCE) solution and incorporated into a matrix of isotactic polypropylene (i-PP). While the polarizing agent is homogeneously dissolved within the frozen solution, for the i-PP/F-BTA blend, it is distributed via the incipient wetness impregnation (IWI) technique. For the frozen solutions with an F-BTA concentration of 187.5 mM an εon/off of 260 was obtained. For F-BTA concentrations of 10 and 2.5 mM the sensitivity trend suggests even higher DNP gains. The substantial enhancements could be achieved by direct polarization transfer over distances up to at least 20 Å, derived from a simple geometric model assuming a homogeneous solution, engaging a large part of the sample volume. Cross-polarization (CP) to 13C nuclei allowed selection of the NMR spectroscopic resonances of the minority species in the i-PP/F-BTA blend suppressing the otherwise dominating resonances of the IWI solvent and the polymer matrix. The possibility of exciting 19F via DNP directly and of transferring the polarization to other heteronuclei within close proximity enables spatial spectral editing to clear up spectra otherwise crowded by matrix and solvent signals. We thus expect direct polarization transfer techniques for DNP enhanced NMR spectroscopy to become more important in the future.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Journal of Physical Chemistry C"},{"user_id":"100715","_id":"64046","language":[{"iso":"eng"}],"extern":"1","publication":"Journal of Physical Chemistry C","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"The synthesis of a novel immobilized Wilkinson’s catalyst [SiO2∼PvPy-Wilk] is presented. The support material of this catalyst consists of silica particles that are modified with polymer brushes carrying pyridyl moieties that enable the coordination of Wilkinson’s catalyst. The synthesis of this catalyst is monitored by 1D and 2D multinuclear solid-state NMR techniques to confirm the success of the immobilization. The [SiO2∼PvPy-Wilk] catalyst is then tested in the hydrogenation of styrene, and its reusability is inspected showing that significant structural changes after several reaction cycles yield an activation of the catalyst. Finally, the catalyst is tested in PHIP experiments giving rise to about 200-fold enhancement of the signals of the hydrogenation product ethylbenzene."}],"volume":125,"author":[{"first_name":"Mohamad","last_name":"Srour","full_name":"Srour, Mohamad"},{"first_name":"Sara","last_name":"Hadjiali","full_name":"Hadjiali, Sara"},{"last_name":"Brunnengräber","full_name":"Brunnengräber, Kai","first_name":"Kai"},{"last_name":"Weidler","full_name":"Weidler, Heiko","first_name":"Heiko"},{"last_name":"Xu","full_name":"Xu, Yeping","first_name":"Yeping"},{"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","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_created":"2026-02-07T16:12:28Z","publisher":"American Chemical Society","date_updated":"2026-02-17T16:13:08Z","doi":"10.1021/acs.jpcc.1c00112","title":"A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques","issue":"13","publication_identifier":{"issn":["1932-7447"]},"page":"7178–7187","intvolume":"       125","citation":{"bibtex":"@article{Srour_Hadjiali_Brunnengräber_Weidler_Xu_Breitzke_Gutmann_Buntkowsky_2021, title={A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">10.1021/acs.jpcc.1c00112</a>}, number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Srour, Mohamad and Hadjiali, Sara and Brunnengräber, Kai and Weidler, Heiko and Xu, Yeping and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={7178–7187} }","mla":"Srour, Mohamad, et al. “A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, American Chemical Society, 2021, pp. 7178–7187, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">10.1021/acs.jpcc.1c00112</a>.","short":"M. Srour, S. Hadjiali, K. Brunnengräber, H. Weidler, Y. Xu, H. Breitzke, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 125 (2021) 7178–7187.","apa":"Srour, M., Hadjiali, S., Brunnengräber, K., Weidler, H., Xu, Y., Breitzke, H., Gutmann, T., &#38; Buntkowsky, G. (2021). A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques. <i>Journal of Physical Chemistry C</i>, <i>125</i>(13), 7178–7187. <a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">https://doi.org/10.1021/acs.jpcc.1c00112</a>","chicago":"Srour, Mohamad, Sara Hadjiali, Kai Brunnengräber, Heiko Weidler, Yeping Xu, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques.” <i>Journal of Physical Chemistry C</i> 125, no. 13 (2021): 7178–7187. <a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">https://doi.org/10.1021/acs.jpcc.1c00112</a>.","ieee":"M. Srour <i>et al.</i>, “A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, pp. 7178–7187, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">10.1021/acs.jpcc.1c00112</a>.","ama":"Srour M, Hadjiali S, Brunnengräber K, et al. A Novel Wilkinson’s Type Silica Supported Polymer Catalyst: Insights from Solid-State NMR and Hyperpolarization Techniques. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7178–7187. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c00112\">10.1021/acs.jpcc.1c00112</a>"},"year":"2021"},{"year":"2021","citation":{"ama":"Rothermel N, Limbach H-H, Del Rosal I, et al. Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. <i>Catalysis Science &#38; Technology</i>. 2021;11(13):4509–4520. doi:<a href=\"https://doi.org/10.1039/D0CY02476G\">10.1039/D0CY02476G</a>","ieee":"N. Rothermel <i>et al.</i>, “Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR,” <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 13, pp. 4509–4520, 2021, doi: <a href=\"https://doi.org/10.1039/D0CY02476G\">10.1039/D0CY02476G</a>.","chicago":"Rothermel, Niels, Hans-Heinrich Limbach, Iker Del Rosal, Romuald Poteau, Gabriel Mencia, Bruno Chaudret, Gerd Buntkowsky, and Torsten Gutmann. “Surface Reactions of Ammonia on Ruthenium Nanoparticles Revealed by 15N and 13C Solid-State NMR.” <i>Catalysis Science &#38; Technology</i> 11, no. 13 (2021): 4509–4520. <a href=\"https://doi.org/10.1039/D0CY02476G\">https://doi.org/10.1039/D0CY02476G</a>.","short":"N. Rothermel, H.-H. Limbach, I. Del Rosal, R. Poteau, G. Mencia, B. Chaudret, G. Buntkowsky, T. Gutmann, Catalysis Science &#38; Technology 11 (2021) 4509–4520.","mla":"Rothermel, Niels, et al. “Surface Reactions of Ammonia on Ruthenium Nanoparticles Revealed by 15N and 13C Solid-State NMR.” <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 13, The Royal Society of Chemistry, 2021, pp. 4509–4520, doi:<a href=\"https://doi.org/10.1039/D0CY02476G\">10.1039/D0CY02476G</a>.","bibtex":"@article{Rothermel_Limbach_Del Rosal_Poteau_Mencia_Chaudret_Buntkowsky_Gutmann_2021, title={Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR}, volume={11}, DOI={<a href=\"https://doi.org/10.1039/D0CY02476G\">10.1039/D0CY02476G</a>}, number={13}, journal={Catalysis Science &#38; Technology}, publisher={The Royal Society of Chemistry}, author={Rothermel, Niels and Limbach, Hans-Heinrich and Del Rosal, Iker and Poteau, Romuald and Mencia, Gabriel and Chaudret, Bruno and Buntkowsky, Gerd and Gutmann, Torsten}, year={2021}, pages={4509–4520} }","apa":"Rothermel, N., Limbach, H.-H., Del Rosal, I., Poteau, R., Mencia, G., Chaudret, B., Buntkowsky, G., &#38; Gutmann, T. (2021). Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. <i>Catalysis Science &#38; Technology</i>, <i>11</i>(13), 4509–4520. <a href=\"https://doi.org/10.1039/D0CY02476G\">https://doi.org/10.1039/D0CY02476G</a>"},"page":"4509–4520","intvolume":"        11","publication_identifier":{"issn":["2044-4753"]},"issue":"13","title":"Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR","doi":"10.1039/D0CY02476G","date_updated":"2026-02-17T16:13:50Z","publisher":"The Royal Society of Chemistry","date_created":"2026-02-07T16:06:48Z","author":[{"first_name":"Niels","last_name":"Rothermel","full_name":"Rothermel, Niels"},{"last_name":"Limbach","full_name":"Limbach, Hans-Heinrich","first_name":"Hans-Heinrich"},{"first_name":"Iker","last_name":"Del Rosal","full_name":"Del Rosal, Iker"},{"full_name":"Poteau, Romuald","last_name":"Poteau","first_name":"Romuald"},{"first_name":"Gabriel","last_name":"Mencia","full_name":"Mencia, Gabriel"},{"first_name":"Bruno","full_name":"Chaudret, Bruno","last_name":"Chaudret"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"}],"volume":11,"abstract":[{"lang":"eng","text":"Ruthenium nanoparticles (Ru NPs) stabilized by bis-diphenylphosphinobutane (dppb) and surface-saturated with hydrogen have been exposed to gaseous 15NH3 and studied using solid-state 15N CP MAS NMR. Three signals have been observed at 24.5, −12 and −42 ppm (reference external liquid ammonia) which are assigned to chemisorbed ammonia species RuNHx. Sample exposure to vacuum or aging leads to conversion of the 24.5 ppm species into the other ones, a process which is reversed by re-exposure to hydrogen gas. Exposure to a mixture of 15NH3 and 13CO leads to the formation of surface bound urea as demonstrated by 15N and 13C CP MAS NMR. To understand the surface reactions of ammonia and the 15N NMR results, quantum chemical calculations of the structures, energies and 15N chemical shifts of ammonia species on Ru6 and Ru55 model clusters have been performed. The calculations indicate that under the experimental conditions applied, the fractions of RuNH3 and RuNH2 species are similar, independent of the H2 pressure. No RuN and RuNH species are formed which are calculated to resonate at a lower field than the signals observed experimentally. However, the 15N chemical shifts of RuNH2 depend on the number of neighboring surface hydrogens and hence on the H2 pressure. Thus, the signal at 24.5 ppm is assigned to RuNH2 in a neighborhood rich in surface hydrogens. RuNH2 depleted in neighboring surface hydrogens and RuNH3 resonated both in a similar chemical shift range to which the signals at −12 and −42 belong. A change of the hydrogen pressure then leads to interconversion of hydrogen-rich and hydrogen-poor neighborhoods of RuNH2 but does not alter the fractions of RuNH3 and RuNH2 according to the calculated stability diagram. Nevertheless, dissociation of RuNH3 into RuNH2 and surface hydrogen is expected to take place during the initial ammonia adsorption process and at low H2 pressures and high temperatures. Finally, some preliminary quantum chemical calculations suggest stepwise binding of two NH2 groups to adsorbed CO leading to surface bound urea where the oxygen is coordinated to Ru."}],"status":"public","type":"journal_article","publication":"Catalysis Science & Technology","language":[{"iso":"eng"}],"extern":"1","_id":"64032","user_id":"100715"},{"volume":60,"date_created":"2026-02-07T16:04:53Z","author":[{"first_name":"Dennis S.","last_name":"Pietruschka","full_name":"Pietruschka, Dennis S."},{"first_name":"Bharti","full_name":"Kumari, Bharti","last_name":"Kumari"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"},{"first_name":"Doreen","last_name":"Mollenhauer","full_name":"Mollenhauer, Doreen"}],"date_updated":"2026-02-17T16:14:13Z","publisher":"American Chemical Society","doi":"10.1021/acs.inorgchem.0c03712","title":"Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations","issue":"9","intvolume":"        60","page":"6239–6248","citation":{"apa":"Pietruschka, D. S., Kumari, B., Buntkowsky, G., Gutmann, T., &#38; Mollenhauer, D. (2021). Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations. <i>Inorganic Chemistry</i>, <i>60</i>(9), 6239–6248. <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">https://doi.org/10.1021/acs.inorgchem.0c03712</a>","short":"D.S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, D. Mollenhauer, Inorganic Chemistry 60 (2021) 6239–6248.","mla":"Pietruschka, Dennis S., et al. “Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations.” <i>Inorganic Chemistry</i>, vol. 60, no. 9, American Chemical Society, 2021, pp. 6239–6248, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">10.1021/acs.inorgchem.0c03712</a>.","bibtex":"@article{Pietruschka_Kumari_Buntkowsky_Gutmann_Mollenhauer_2021, title={Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations}, volume={60}, DOI={<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">10.1021/acs.inorgchem.0c03712</a>}, number={9}, journal={Inorganic Chemistry}, publisher={American Chemical Society}, author={Pietruschka, Dennis S. and Kumari, Bharti and Buntkowsky, Gerd and Gutmann, Torsten and Mollenhauer, Doreen}, year={2021}, pages={6239–6248} }","ieee":"D. S. Pietruschka, B. Kumari, G. Buntkowsky, T. Gutmann, and D. Mollenhauer, “Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations,” <i>Inorganic Chemistry</i>, vol. 60, no. 9, pp. 6239–6248, 2021, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">10.1021/acs.inorgchem.0c03712</a>.","chicago":"Pietruschka, Dennis S., Bharti Kumari, Gerd Buntkowsky, Torsten Gutmann, and Doreen Mollenhauer. “Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations.” <i>Inorganic Chemistry</i> 60, no. 9 (2021): 6239–6248. <a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">https://doi.org/10.1021/acs.inorgchem.0c03712</a>.","ama":"Pietruschka DS, Kumari B, Buntkowsky G, Gutmann T, Mollenhauer D. Mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT Calculations. <i>Inorganic Chemistry</i>. 2021;60(9):6239–6248. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.0c03712\">10.1021/acs.inorgchem.0c03712</a>"},"year":"2021","user_id":"100715","_id":"64025","extern":"1","language":[{"iso":"eng"}],"publication":"Inorganic Chemistry","type":"journal_article","status":"public","abstract":[{"text":"Dirhodium(II) complexes such as [Rh2(TFA)4] bound to a functionalized mesoporous SBA-15 carrier material have proven to be valuable candidates for heterogeneous catalysis in the field of pharmaceutical synthesis. However, the mechanistic steps of immobilization by linker molecules containing carboxyl or amine functionalities remain the subject of discussion. Here we present a theoretical study of possible mechanistic binding pathways for the [Rh2(TFA)4] complex through model representations of synthetically investigated linkers, namely n-butylamine and n-butyric acid. Experimentally proposed intermediates of the immobilization process are investigated and analyzed by density functional theory calculations to gain insights into structural properties and the influence of solvation. An evaluation of the thermodynamic data for all identified intermediates allowed distinguishing between two possible reaction pathways that are characterized by a first axial complexation of either n-butyric acid or n-butylamine. In agreement with results from NMR spectroscopy, singly or doubly n-butylamine-fixated complexes were found to present possible immobilization products. Initial binding through a carboxy-functionalized linker is proposed as the most favorable reaction pathway for the formation of the mixed linker pattern [Rh2(TFA)3]·(n-butylamine)·(n-butyrate). The linkers n-butyric acid and n-butyrate, respectively, are found to exhibit an unaltered binding affinity to the dirhodium complex despite their protonation states, indicating invariance to the acidic environment unlike an immobilization by n-butylamine. These results present a theoretical framework for the rationalization of observed product distributions while also providing inspiration and guidance for the preparation of functionalized heterogeneous SBA-15/dirhodium catalyst systems.","lang":"eng"}]},{"issue":"5","year":"2021","page":"855–860","intvolume":"        22","citation":{"ama":"Ratajczyk T, Buntkowsky G, Gutmann T, et al. Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors. <i>ChemBioChem</i>. 2021;22(5):855–860. doi:<a href=\"https://doi.org/10.1002/cbic.202000711\">10.1002/cbic.202000711</a>","ieee":"T. Ratajczyk <i>et al.</i>, “Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors,” <i>ChemBioChem</i>, vol. 22, no. 5, pp. 855–860, 2021, doi: <a href=\"https://doi.org/10.1002/cbic.202000711\">10.1002/cbic.202000711</a>.","chicago":"Ratajczyk, T., G. Buntkowsky, Torsten Gutmann, B. Fedorczyk, A. Mames, M. Pietrzak, Z. Puzio, and P. G. Szkudlarek. “Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors.” <i>ChemBioChem</i> 22, no. 5 (2021): 855–860. <a href=\"https://doi.org/10.1002/cbic.202000711\">https://doi.org/10.1002/cbic.202000711</a>.","mla":"Ratajczyk, T., et al. “Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors.” <i>ChemBioChem</i>, vol. 22, no. 5, 2021, pp. 855–860, doi:<a href=\"https://doi.org/10.1002/cbic.202000711\">10.1002/cbic.202000711</a>.","bibtex":"@article{Ratajczyk_Buntkowsky_Gutmann_Fedorczyk_Mames_Pietrzak_Puzio_Szkudlarek_2021, title={Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors}, volume={22}, DOI={<a href=\"https://doi.org/10.1002/cbic.202000711\">10.1002/cbic.202000711</a>}, number={5}, journal={ChemBioChem}, author={Ratajczyk, T. and Buntkowsky, G. and Gutmann, Torsten and Fedorczyk, B. and Mames, A. and Pietrzak, M. and Puzio, Z. and Szkudlarek, P. G.}, year={2021}, pages={855–860} }","short":"T. Ratajczyk, G. Buntkowsky, T. Gutmann, B. Fedorczyk, A. Mames, M. Pietrzak, Z. Puzio, P.G. Szkudlarek, ChemBioChem 22 (2021) 855–860.","apa":"Ratajczyk, T., Buntkowsky, G., Gutmann, T., Fedorczyk, B., Mames, A., Pietrzak, M., Puzio, Z., &#38; Szkudlarek, P. G. (2021). Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors. <i>ChemBioChem</i>, <i>22</i>(5), 855–860. <a href=\"https://doi.org/10.1002/cbic.202000711\">https://doi.org/10.1002/cbic.202000711</a>"},"date_updated":"2026-02-17T16:14:09Z","volume":22,"author":[{"first_name":"T.","full_name":"Ratajczyk, T.","last_name":"Ratajczyk"},{"full_name":"Buntkowsky, G.","last_name":"Buntkowsky","first_name":"G."},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"last_name":"Fedorczyk","full_name":"Fedorczyk, B.","first_name":"B."},{"first_name":"A.","last_name":"Mames","full_name":"Mames, A."},{"full_name":"Pietrzak, M.","last_name":"Pietrzak","first_name":"M."},{"first_name":"Z.","last_name":"Puzio","full_name":"Puzio, Z."},{"last_name":"Szkudlarek","full_name":"Szkudlarek, P. G.","first_name":"P. G."}],"date_created":"2026-02-07T16:05:21Z","title":"Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors","doi":"10.1002/cbic.202000711","publication":"ChemBioChem","type":"journal_article","abstract":[{"text":"The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H-2 results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the H-1 NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan H-1 NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide.","lang":"eng"}],"status":"public","_id":"64027","user_id":"100715","language":[{"iso":"eng"}],"extern":"1"},{"publisher":"The Royal Society of Chemistry","date_updated":"2026-02-17T16:14:21Z","date_created":"2026-02-07T16:03:58Z","author":[{"full_name":"Oliveira, Marcos","last_name":"Oliveira","first_name":"Marcos"},{"full_name":"Herr, Kevin","last_name":"Herr","first_name":"Kevin"},{"last_name":"Brodrecht","full_name":"Brodrecht, Martin","first_name":"Martin"},{"last_name":"Haro-Mares","full_name":"Haro-Mares, Nadia B.","first_name":"Nadia B."},{"full_name":"Wissel, Till","last_name":"Wissel","first_name":"Till"},{"last_name":"Klimavicius","full_name":"Klimavicius, Vytautas","first_name":"Vytautas"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"}],"volume":23,"title":"Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica","doi":"10.1039/D1CP00985K","issue":"22","year":"2021","citation":{"ama":"Oliveira M, Herr K, Brodrecht M, et al. Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica. <i>Physical Chemistry Chemical Physics</i>. 2021;23(22):12559–12568. doi:<a href=\"https://doi.org/10.1039/D1CP00985K\">10.1039/D1CP00985K</a>","chicago":"Oliveira, Marcos, Kevin Herr, Martin Brodrecht, Nadia B. Haro-Mares, Till Wissel, Vytautas Klimavicius, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “Solvent-Free Dynamic Nuclear Polarization Enhancements in Organically Modified Mesoporous Silica.” <i>Physical Chemistry Chemical Physics</i> 23, no. 22 (2021): 12559–12568. <a href=\"https://doi.org/10.1039/D1CP00985K\">https://doi.org/10.1039/D1CP00985K</a>.","ieee":"M. Oliveira <i>et al.</i>, “Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica,” <i>Physical Chemistry Chemical Physics</i>, vol. 23, no. 22, pp. 12559–12568, 2021, doi: <a href=\"https://doi.org/10.1039/D1CP00985K\">10.1039/D1CP00985K</a>.","apa":"Oliveira, M., Herr, K., Brodrecht, M., Haro-Mares, N. B., Wissel, T., Klimavicius, V., Breitzke, H., Gutmann, T., &#38; Buntkowsky, G. (2021). Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica. <i>Physical Chemistry Chemical Physics</i>, <i>23</i>(22), 12559–12568. <a href=\"https://doi.org/10.1039/D1CP00985K\">https://doi.org/10.1039/D1CP00985K</a>","bibtex":"@article{Oliveira_Herr_Brodrecht_Haro-Mares_Wissel_Klimavicius_Breitzke_Gutmann_Buntkowsky_2021, title={Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica}, volume={23}, DOI={<a href=\"https://doi.org/10.1039/D1CP00985K\">10.1039/D1CP00985K</a>}, number={22}, journal={Physical Chemistry Chemical Physics}, publisher={The Royal Society of Chemistry}, author={Oliveira, Marcos and Herr, Kevin and Brodrecht, Martin and Haro-Mares, Nadia B. and Wissel, Till and Klimavicius, Vytautas and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={12559–12568} }","short":"M. Oliveira, K. Herr, M. Brodrecht, N.B. Haro-Mares, T. Wissel, V. Klimavicius, H. Breitzke, T. Gutmann, G. Buntkowsky, Physical Chemistry Chemical Physics 23 (2021) 12559–12568.","mla":"Oliveira, Marcos, et al. “Solvent-Free Dynamic Nuclear Polarization Enhancements in Organically Modified Mesoporous Silica.” <i>Physical Chemistry Chemical Physics</i>, vol. 23, no. 22, The Royal Society of Chemistry, 2021, pp. 12559–12568, doi:<a href=\"https://doi.org/10.1039/D1CP00985K\">10.1039/D1CP00985K</a>."},"intvolume":"        23","page":"12559–12568","_id":"64022","user_id":"100715","extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"Physical Chemistry Chemical Physics","abstract":[{"text":"High-field dynamic nuclear polarization is a powerful tool for the structural characterization of species on the surface of porous materials or nanoparticles. For these studies the main source of polarization are radical-containing solutions which are added by post-synthesis impregnation of the sample. Although this strategy is very efficient for a wide variety of materials, the presence of the solvent may influence the chemistry of functional species of interest. Here we address the development of a comprehensive strategy for solvent-free DNP enhanced NMR characterization of functional (target) species on the surface of mesoporous silica (SBA-15). The strategy includes the partial functionalization of the silica surface with Carboxy-Proxyl nitroxide radicals and target Fmoc-Glycine functional groups. As a proof of principle, we have observed for the first time DNP signal enhancements, using the solvent-free approach, for 13C1H CPMAS signals corresponding to organic functionalities on the silica surface. DNP enhancements of up to 3.4 were observed for 13C1H CPMAS, corresponding to an experimental time save of about 12 times. This observation opens the possibility for the DNP-NMR study of surface functional groups without the need of a solvent, allowing, for example, the characterization of catalytic reactions occurring on the surface of mesoporous systems of interest. For 29Si with direct polarization NMR, up to 8-fold DNP enhancements were obtained. This 29Si signal enhancement is considerably higher than the obtained with similar approaches reported in literature. Finally, from DNP enhancement profiles we conclude that cross-effect is probably the dominant polarization transfer mechanism.","lang":"eng"}],"status":"public"},{"language":[{"iso":"eng"}],"extern":"1","_id":"64016","user_id":"100715","abstract":[{"lang":"eng","text":"Bacterial cellulose (BC) combined with organo-bridged porous silica nanoparticles offers potential opportunities to develop smart hybrid materials such as advanced drug delivery nanosystems. This work reports the preparation of bacterial cellulose membrane (BCM) and their modification by in situ methodology with the organo-bridged precursor 1,4-bis(triethoxysilyl)benzene (BTEB). BTEB was successfully incorporated into the BCM, and spherical hybrid silica nanoparticles with heterogeneous particle size (30–100 nm) and probably porous structure were formed and characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared–attenuated total reflectance (FTIR-ATR), thermogravimetric analysis (TGA), and solid state nuclear magnetic resonance (NMR). We further combined solid-state NMR with dynamic nuclear polarization (DNP) to achieve sensitivity enhancement and to selectively enhance the NMR signal of the hydrophobic BTEB moieties on the BCM surface. This allowed us to get more detailed structural information about the BTEB–BCM multicomponent material."}],"status":"public","publication":"Journal of Physical Chemistry C","type":"journal_article","title":"Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization Study","doi":"10.1021/acs.jpcc.0c09837","date_updated":"2026-02-17T16:15:10Z","publisher":"American Chemical Society","volume":125,"date_created":"2026-02-07T16:01:29Z","author":[{"first_name":"Andreia S.","full_name":"Monteiro, Andreia S.","last_name":"Monteiro"},{"last_name":"Oliveira","full_name":"Oliveira, Marcos","first_name":"Marcos"},{"full_name":"Santagneli, Silvia","last_name":"Santagneli","first_name":"Silvia"},{"last_name":"Carcel","full_name":"Carcel, Carole","first_name":"Carole"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"},{"first_name":"Michel Wong Chi","last_name":"Man","full_name":"Man, Michel Wong Chi"},{"full_name":"Barud, Hernane S.","last_name":"Barud","first_name":"Hernane S."},{"full_name":"Ribeiro, Sidney J. L.","last_name":"Ribeiro","first_name":"Sidney J. L."}],"year":"2021","intvolume":"       125","page":"4498–4508","citation":{"ama":"Monteiro AS, Oliveira M, Santagneli S, et al. Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization Study. <i>Journal of Physical Chemistry C</i>. 2021;125(8):4498–4508. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">10.1021/acs.jpcc.0c09837</a>","ieee":"A. S. Monteiro <i>et al.</i>, “Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization Study,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 8, pp. 4498–4508, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">10.1021/acs.jpcc.0c09837</a>.","chicago":"Monteiro, Andreia S., Marcos Oliveira, Silvia Santagneli, Carole Carcel, Torsten Gutmann, Gerd Buntkowsky, Michel Wong Chi Man, Hernane S. Barud, and Sidney J. L. Ribeiro. “Modification of Bacterial Cellulose Membrane with 1,4-Bis(Triethoxysilyl)Benzene: A Thorough Physical–Chemical Characterization Study.” <i>Journal of Physical Chemistry C</i> 125, no. 8 (2021): 4498–4508. <a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">https://doi.org/10.1021/acs.jpcc.0c09837</a>.","bibtex":"@article{Monteiro_Oliveira_Santagneli_Carcel_Gutmann_Buntkowsky_Man_Barud_Ribeiro_2021, title={Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization Study}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">10.1021/acs.jpcc.0c09837</a>}, number={8}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Monteiro, Andreia S. and Oliveira, Marcos and Santagneli, Silvia and Carcel, Carole and Gutmann, Torsten and Buntkowsky, Gerd and Man, Michel Wong Chi and Barud, Hernane S. and Ribeiro, Sidney J. L.}, year={2021}, pages={4498–4508} }","mla":"Monteiro, Andreia S., et al. “Modification of Bacterial Cellulose Membrane with 1,4-Bis(Triethoxysilyl)Benzene: A Thorough Physical–Chemical Characterization Study.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 8, American Chemical Society, 2021, pp. 4498–4508, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">10.1021/acs.jpcc.0c09837</a>.","short":"A.S. Monteiro, M. Oliveira, S. Santagneli, C. Carcel, T. Gutmann, G. Buntkowsky, M.W.C. Man, H.S. Barud, S.J.L. Ribeiro, Journal of Physical Chemistry C 125 (2021) 4498–4508.","apa":"Monteiro, A. S., Oliveira, M., Santagneli, S., Carcel, C., Gutmann, T., Buntkowsky, G., Man, M. W. C., Barud, H. S., &#38; Ribeiro, S. J. L. (2021). Modification of Bacterial Cellulose Membrane with 1,4-Bis(triethoxysilyl)benzene: A Thorough Physical–Chemical Characterization Study. <i>Journal of Physical Chemistry C</i>, <i>125</i>(8), 4498–4508. <a href=\"https://doi.org/10.1021/acs.jpcc.0c09837\">https://doi.org/10.1021/acs.jpcc.0c09837</a>"},"publication_identifier":{"issn":["1932-7447"]},"issue":"8"},{"title":"Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals","doi":"10.1039/D0GC04054A","publisher":"The Royal Society of Chemistry","date_updated":"2026-02-17T16:15:12Z","author":[{"first_name":"Peiwen","last_name":"Liu","full_name":"Liu, Peiwen"},{"last_name":"Liu","full_name":"Liu, Huan","first_name":"Huan"},{"full_name":"Schäfer, Timmy","last_name":"Schäfer","first_name":"Timmy"},{"first_name":"Torsten","last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165"},{"first_name":"Holger","full_name":"Gibhardt, Holger","last_name":"Gibhardt"},{"full_name":"Qi, Houjuan","last_name":"Qi","first_name":"Houjuan"},{"full_name":"Tian, Lin","last_name":"Tian","first_name":"Lin"},{"full_name":"Zhang, Xizhou Cecily","last_name":"Zhang","first_name":"Xizhou Cecily"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"},{"full_name":"Zhang, Kai","last_name":"Zhang","first_name":"Kai"}],"date_created":"2026-02-07T16:01:08Z","volume":23,"year":"2021","citation":{"ama":"Liu P, Liu H, Schäfer T, et al. Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals. <i>Green Chemistry</i>. 2021;23(2):745–751. doi:<a href=\"https://doi.org/10.1039/D0GC04054A\">10.1039/D0GC04054A</a>","chicago":"Liu, Peiwen, Huan Liu, Timmy Schäfer, Torsten Gutmann, Holger Gibhardt, Houjuan Qi, Lin Tian, Xizhou Cecily Zhang, Gerd Buntkowsky, and Kai Zhang. “Unexpected Selective Alkaline Periodate Oxidation of Chitin for the Isolation of Chitin Nanocrystals.” <i>Green Chemistry</i> 23, no. 2 (2021): 745–751. <a href=\"https://doi.org/10.1039/D0GC04054A\">https://doi.org/10.1039/D0GC04054A</a>.","ieee":"P. Liu <i>et al.</i>, “Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals,” <i>Green Chemistry</i>, vol. 23, no. 2, pp. 745–751, 2021, doi: <a href=\"https://doi.org/10.1039/D0GC04054A\">10.1039/D0GC04054A</a>.","apa":"Liu, P., Liu, H., Schäfer, T., Gutmann, T., Gibhardt, H., Qi, H., Tian, L., Zhang, X. C., Buntkowsky, G., &#38; Zhang, K. (2021). Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals. <i>Green Chemistry</i>, <i>23</i>(2), 745–751. <a href=\"https://doi.org/10.1039/D0GC04054A\">https://doi.org/10.1039/D0GC04054A</a>","bibtex":"@article{Liu_Liu_Schäfer_Gutmann_Gibhardt_Qi_Tian_Zhang_Buntkowsky_Zhang_2021, title={Unexpected selective alkaline periodate oxidation of chitin for the isolation of chitin nanocrystals}, volume={23}, DOI={<a href=\"https://doi.org/10.1039/D0GC04054A\">10.1039/D0GC04054A</a>}, number={2}, journal={Green Chemistry}, publisher={The Royal Society of Chemistry}, author={Liu, Peiwen and Liu, Huan and Schäfer, Timmy and Gutmann, Torsten and Gibhardt, Holger and Qi, Houjuan and Tian, Lin and Zhang, Xizhou Cecily and Buntkowsky, Gerd and Zhang, Kai}, year={2021}, pages={745–751} }","mla":"Liu, Peiwen, et al. “Unexpected Selective Alkaline Periodate Oxidation of Chitin for the Isolation of Chitin Nanocrystals.” <i>Green Chemistry</i>, vol. 23, no. 2, The Royal Society of Chemistry, 2021, pp. 745–751, doi:<a href=\"https://doi.org/10.1039/D0GC04054A\">10.1039/D0GC04054A</a>.","short":"P. Liu, H. Liu, T. Schäfer, T. Gutmann, H. Gibhardt, H. Qi, L. Tian, X.C. Zhang, G. Buntkowsky, K. Zhang, Green Chemistry 23 (2021) 745–751."},"intvolume":"        23","page":"745–751","issue":"2","language":[{"iso":"eng"}],"extern":"1","_id":"64015","user_id":"100715","abstract":[{"lang":"eng","text":"Periodate oxidation reaction occurring directly on chitin has been neglected in polysaccharide chemistry so far. Herein, we present the first direct alkaline periodate oxidation of chitin, which demonstrates at the same time a novel approach for the preparation of chitin nanocrystals (ChNCs). This oxidation is based on an unprecedented selective reaction of non-ordered domains of chitin by the dimeric orthoperiodate ions (H2I2O104−) as the major species in alkaline surroundings. Nearly 50 wt% of non-ordered regions are dissolved after sequential accelerated partial deacetylation, periodate oxidation and β-alkoxy fragmentation, which allows the isolation of up to 50 wt% of uniform anisotropic zwitterionic ChNCs."}],"status":"public","type":"journal_article","publication":"Green Chemistry"},{"status":"public","abstract":[{"text":"Three chiral dirhodium coordination polymers Rh2–Ln (n = 1–3) have been synthesized via ligand exchange between dirhodium trifluoroacetate Rh2(TFA)4 and differently sized chiral dicarboxylic acids derived from l-tert-leucine. SEM images indicate that the Rh2–Ln (n = 1–3) polymers have a lamellar structure. XPS data demonstrate that the oxidation state of rhodium in the dirhodium nodes is maintained during the synthesis of the polymers. The coordination polymers have been further characterized by FTIR, 1H → 13C CP MAS NMR and 19F MAS NMR spectroscopy to prove the formation of polymers via ligand exchange. Although the quantitative 19F MAS NMR spectra reveal incomplete ligand substitution in the coordination polymers, these catalysts show excellent activity and selectivity in the asymmetric cyclopropanation reaction between styrene and diazooxindole. In particular, the enantioselectivity has been significantly improved compared with previously designed dirhodium coordination polymers, which were synthesized from aromatic dicarboxylic acids derived from l-phenylalanine. Meanwhile, the dirhodium polymers can be easily recycled five times without significant reduction in their catalytic efficiency.","lang":"eng"}],"type":"journal_article","publication":"Catalysis Science & Technology","language":[{"iso":"eng"}],"extern":"1","user_id":"100715","_id":"64006","citation":{"ama":"Li Z, Rösler L, Wissel T, et al. Design and characterization of novel dirhodium coordination polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation. <i>Catalysis Science &#38; Technology</i>. 2021;11(10):3481–3492. doi:<a href=\"https://doi.org/10.1039/D1CY00109D\">10.1039/D1CY00109D</a>","chicago":"Li, Zhenzhong, Lorenz Rösler, Till Wissel, Hergen Breitzke, Kathrin Hofmann, Hans-Heinrich Limbach, Torsten Gutmann, and Gerd Buntkowsky. “Design and Characterization of Novel Dirhodium Coordination Polymers – the Impact of Ligand Size on Selectivity in Asymmetric Cyclopropanation.” <i>Catalysis Science &#38; Technology</i> 11, no. 10 (2021): 3481–3492. <a href=\"https://doi.org/10.1039/D1CY00109D\">https://doi.org/10.1039/D1CY00109D</a>.","ieee":"Z. Li <i>et al.</i>, “Design and characterization of novel dirhodium coordination polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation,” <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 10, pp. 3481–3492, 2021, doi: <a href=\"https://doi.org/10.1039/D1CY00109D\">10.1039/D1CY00109D</a>.","apa":"Li, Z., Rösler, L., Wissel, T., Breitzke, H., Hofmann, K., Limbach, H.-H., Gutmann, T., &#38; Buntkowsky, G. (2021). Design and characterization of novel dirhodium coordination polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation. <i>Catalysis Science &#38; Technology</i>, <i>11</i>(10), 3481–3492. <a href=\"https://doi.org/10.1039/D1CY00109D\">https://doi.org/10.1039/D1CY00109D</a>","bibtex":"@article{Li_Rösler_Wissel_Breitzke_Hofmann_Limbach_Gutmann_Buntkowsky_2021, title={Design and characterization of novel dirhodium coordination polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation}, volume={11}, DOI={<a href=\"https://doi.org/10.1039/D1CY00109D\">10.1039/D1CY00109D</a>}, number={10}, journal={Catalysis Science &#38; Technology}, publisher={The Royal Society of Chemistry}, author={Li, Zhenzhong and Rösler, Lorenz and Wissel, Till and Breitzke, Hergen and Hofmann, Kathrin and Limbach, Hans-Heinrich and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={3481–3492} }","mla":"Li, Zhenzhong, et al. “Design and Characterization of Novel Dirhodium Coordination Polymers – the Impact of Ligand Size on Selectivity in Asymmetric Cyclopropanation.” <i>Catalysis Science &#38; Technology</i>, vol. 11, no. 10, The Royal Society of Chemistry, 2021, pp. 3481–3492, doi:<a href=\"https://doi.org/10.1039/D1CY00109D\">10.1039/D1CY00109D</a>.","short":"Z. Li, L. Rösler, T. Wissel, H. Breitzke, K. Hofmann, H.-H. Limbach, T. Gutmann, G. Buntkowsky, Catalysis Science &#38; Technology 11 (2021) 3481–3492."},"page":"3481–3492","intvolume":"        11","year":"2021","issue":"10","publication_identifier":{"issn":["2044-4753"]},"doi":"10.1039/D1CY00109D","title":"Design and characterization of novel dirhodium coordination polymers – the impact of ligand size on selectivity in asymmetric cyclopropanation","author":[{"full_name":"Li, Zhenzhong","last_name":"Li","first_name":"Zhenzhong"},{"first_name":"Lorenz","last_name":"Rösler","full_name":"Rösler, Lorenz"},{"first_name":"Till","last_name":"Wissel","full_name":"Wissel, Till"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Kathrin","last_name":"Hofmann","full_name":"Hofmann, Kathrin"},{"last_name":"Limbach","full_name":"Limbach, Hans-Heinrich","first_name":"Hans-Heinrich"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"date_created":"2026-02-07T15:55:39Z","volume":11,"date_updated":"2026-02-17T16:15:33Z","publisher":"The Royal Society of Chemistry"},{"doi":"10.1016/j.jcou.2021.101682","title":"Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes","author":[{"first_name":"Zhenzhong","full_name":"Li, Zhenzhong","last_name":"Li"},{"full_name":"Rösler, Lorenz","last_name":"Rösler","first_name":"Lorenz"},{"first_name":"Till","last_name":"Wissel","full_name":"Wissel, Till"},{"full_name":"Breitzke, Hergen","last_name":"Breitzke","first_name":"Hergen"},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"date_created":"2026-02-07T15:55:18Z","volume":52,"date_updated":"2026-02-17T16:15:35Z","citation":{"short":"Z. Li, L. Rösler, T. Wissel, H. Breitzke, T. Gutmann, G. Buntkowsky, Journal of CO2 Utilization 52 (2021) 101682.","mla":"Li, Zhenzhong, et al. “Immobilization of a Chiral Dirhodium Catalyst on SBA-15 via Click-Chemistry: Application in the Asymmetric Cyclopropanation of 3-Diazooxindole with Aryl Alkenes.” <i>Journal of CO2 Utilization</i>, vol. 52, 2021, p. 101682, doi:<a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">10.1016/j.jcou.2021.101682</a>.","bibtex":"@article{Li_Rösler_Wissel_Breitzke_Gutmann_Buntkowsky_2021, title={Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes}, volume={52}, DOI={<a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">10.1016/j.jcou.2021.101682</a>}, journal={Journal of CO2 Utilization}, author={Li, Zhenzhong and Rösler, Lorenz and Wissel, Till and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={101682} }","apa":"Li, Z., Rösler, L., Wissel, T., Breitzke, H., Gutmann, T., &#38; Buntkowsky, G. (2021). Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes. <i>Journal of CO2 Utilization</i>, <i>52</i>, 101682. <a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">https://doi.org/10.1016/j.jcou.2021.101682</a>","ieee":"Z. Li, L. Rösler, T. Wissel, H. Breitzke, T. Gutmann, and G. Buntkowsky, “Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes,” <i>Journal of CO2 Utilization</i>, vol. 52, p. 101682, 2021, doi: <a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">10.1016/j.jcou.2021.101682</a>.","chicago":"Li, Zhenzhong, Lorenz Rösler, Till Wissel, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “Immobilization of a Chiral Dirhodium Catalyst on SBA-15 via Click-Chemistry: Application in the Asymmetric Cyclopropanation of 3-Diazooxindole with Aryl Alkenes.” <i>Journal of CO2 Utilization</i> 52 (2021): 101682. <a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">https://doi.org/10.1016/j.jcou.2021.101682</a>.","ama":"Li Z, Rösler L, Wissel T, Breitzke H, Gutmann T, Buntkowsky G. Immobilization of a chiral dirhodium catalyst on SBA-15 via click-chemistry: Application in the asymmetric cyclopropanation of 3-diazooxindole with aryl alkenes. <i>Journal of CO2 Utilization</i>. 2021;52:101682. doi:<a href=\"https://doi.org/10.1016/j.jcou.2021.101682\">10.1016/j.jcou.2021.101682</a>"},"page":"101682","intvolume":"        52","year":"2021","language":[{"iso":"eng"}],"extern":"1","keyword":["immobilized catalyst","asymmetric cyclopropanation","Chiral dirhodium"],"user_id":"100715","_id":"64005","status":"public","abstract":[{"text":"A novel immobilized chiral dirhodium catalyst, Rh2(S-PTTL)3(S-PTTL-linker)∼SBA-15 (8), has been prepared via click reaction of azide-groups on functionalized SBA-15 with the dirhodium complex Rh2(S-PTTL)3(S-PTTL-alkyne) (6) containing an alkyne moiety. During the synthesis of this complex, one chiral ligand of the parent Rh2(S-PTTL)4 catalyst is exchanged with an analogous chiral ligand system containing an alkyne moiety, which to a great extent maintains the intrinsic catalytic performance of the catalyst. The heterogeneous dirhodium catalyst is characterized by FT-IR and 13C solid-state NMR to validate the successful immobilization. The catalytic performance of the heterogeneous catalyst 8 is investigated in the asymmetric cyclopropanation of 3-diazooxindole with different aryl alkenes that form spiro-cyclopropyloxindoles which serve as precursors for pharmaceuticals. The resulting heterogeneous catalyst shows high catalytic activity and significant enantioselectivity. Importantly, it can be readily recovered and reused at least four times without significant loss of its catalytic performance.","lang":"eng"}],"type":"journal_article","publication":"Journal of CO2 Utilization"},{"issue":"18","citation":{"apa":"Klintuch, D., Höfler, M. V., Wissel, T., Bruhn, C., Gutmann, T., &#38; Pietschnig, R. (2021). Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids. <i>Inorganic Chemistry</i>, <i>60</i>(18), 14263–14274. <a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">https://doi.org/10.1021/acs.inorgchem.1c01775</a>","short":"D. Klintuch, M.V. Höfler, T. Wissel, C. Bruhn, T. Gutmann, R. Pietschnig, Inorganic Chemistry 60 (2021) 14263–14274.","mla":"Klintuch, Dieter, et al. “Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids.” <i>Inorganic Chemistry</i>, vol. 60, no. 18, American Chemical Society, 2021, pp. 14263–14274, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">10.1021/acs.inorgchem.1c01775</a>.","bibtex":"@article{Klintuch_Höfler_Wissel_Bruhn_Gutmann_Pietschnig_2021, title={Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids}, volume={60}, DOI={<a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">10.1021/acs.inorgchem.1c01775</a>}, number={18}, journal={Inorganic Chemistry}, publisher={American Chemical Society}, author={Klintuch, Dieter and Höfler, Mark V. and Wissel, Till and Bruhn, Clemens and Gutmann, Torsten and Pietschnig, Rudolf}, year={2021}, pages={14263–14274} }","chicago":"Klintuch, Dieter, Mark V. Höfler, Till Wissel, Clemens Bruhn, Torsten Gutmann, and Rudolf Pietschnig. “Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids.” <i>Inorganic Chemistry</i> 60, no. 18 (2021): 14263–14274. <a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">https://doi.org/10.1021/acs.inorgchem.1c01775</a>.","ieee":"D. Klintuch, M. V. Höfler, T. Wissel, C. Bruhn, T. Gutmann, and R. Pietschnig, “Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids,” <i>Inorganic Chemistry</i>, vol. 60, no. 18, pp. 14263–14274, 2021, doi: <a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">10.1021/acs.inorgchem.1c01775</a>.","ama":"Klintuch D, Höfler MV, Wissel T, Bruhn C, Gutmann T, Pietschnig R. Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids. <i>Inorganic Chemistry</i>. 2021;60(18):14263–14274. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.1c01775\">10.1021/acs.inorgchem.1c01775</a>"},"intvolume":"        60","page":"14263–14274","year":"2021","author":[{"full_name":"Klintuch, Dieter","last_name":"Klintuch","first_name":"Dieter"},{"full_name":"Höfler, Mark V.","last_name":"Höfler","first_name":"Mark V."},{"full_name":"Wissel, Till","last_name":"Wissel","first_name":"Till"},{"first_name":"Clemens","full_name":"Bruhn, Clemens","last_name":"Bruhn"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"last_name":"Pietschnig","full_name":"Pietschnig, Rudolf","first_name":"Rudolf"}],"date_created":"2026-02-07T15:47:54Z","volume":60,"publisher":"American Chemical Society","date_updated":"2026-02-17T16:16:17Z","doi":"10.1021/acs.inorgchem.1c01775","title":"Trifunctional Silyl Groups as Anchoring Units in the Preparation of Luminescent Phosphole–Silica Hybrids","type":"journal_article","publication":"Inorganic Chemistry","status":"public","abstract":[{"text":"A synthetic strategy to β-silylphospholes with three methoxy, ethoxy, chloro, hydrido, or phenyl substituents at silicon has been developed, starting from trimethoxy, triethoxy, or triphenyl silyl substituted phenyl phosphanides and 1,4-diphenyl-1,3-butadiyne. These trifunctional silylphospholes were attached to the surface of uniform spheric silica particles (15 μm) and, for comparison, to a polyhedral silsesquioxane (POSS)–trisilanol as a molecular model to explore their luminescent properties in comparison with the free phospholes. Density functional theory calculations were performed to investigate any electronic perturbation of the phosphole system by the trifunctional silyl anchoring unit. For the immobilized phospholes, cross-polarization magic-angle-spinning NMR measurements (13C, 29Si, and 31P) were carried out to explore the bonding situation to the silica surface. Thermogravimetric analysis and X-ray photoelectron spectroscopy measurements were performed to approximate the amount of phospholes covering the silica surface. Identity and purity of all novel phospholes have been established with standard techniques (multinuclear NMR, mass spectrometry, and elemental analysis) and X-ray diffraction for the POSS derivative.","lang":"eng"}],"user_id":"100715","_id":"63993","extern":"1","language":[{"iso":"eng"}]},{"user_id":"100715","_id":"63992","language":[{"iso":"eng"}],"extern":"1","publication":"Journal of Physical Chemistry C","type":"journal_article","status":"public","abstract":[{"text":"Solid-state NMR combined with dynamic nuclear polarization (DNP NMR) is used to study hydration processes in tricalcium silicate (Ca3SiO5, abbreviated as C3S) samples. The studied C3S samples have experienced early stage hydration (1–30 h) and slow aging (9 years) processes. The appearance of Q3 and Q4 lines in the 29Si MAS and 1H → 29Si CP MAS NMR spectra obtained for partly hydrated C3S samples indicated the formation of amorphous silica which corresponds to their carbonation, which was corroborated by complementary FTIR data. Significant DNP signal enhancements obtained for the studied samples allowed to further investigate the C3S carbonation process in detail employing the 1H → 29Si CP MAS FSLG HETCOR technique. Finally, DNP enhanced 1H → 13C CP MAS and 1H → 13C CP MAS FSLG HETCOR techniques enabled to directly observe the formation of carbonate moieties in partly hydrated C3S samples.","lang":"eng"}],"volume":125,"date_created":"2026-02-07T15:47:39Z","author":[{"full_name":"Klimavicius, Vytautas","last_name":"Klimavicius","first_name":"Vytautas"},{"first_name":"Harald","full_name":"Hilbig, Harald","last_name":"Hilbig"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_updated":"2026-02-17T16:16:25Z","publisher":"American Chemical Society","doi":"10.1021/acs.jpcc.0c10382","title":"Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy","issue":"13","publication_identifier":{"issn":["1932-7447"]},"page":"7321–7328","intvolume":"       125","citation":{"apa":"Klimavicius, V., Hilbig, H., Gutmann, T., &#38; Buntkowsky, G. (2021). Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy. <i>Journal of Physical Chemistry C</i>, <i>125</i>(13), 7321–7328. <a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">https://doi.org/10.1021/acs.jpcc.0c10382</a>","mla":"Klimavicius, Vytautas, et al. “Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, American Chemical Society, 2021, pp. 7321–7328, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">10.1021/acs.jpcc.0c10382</a>.","short":"V. Klimavicius, H. Hilbig, T. Gutmann, G. Buntkowsky, Journal of Physical Chemistry C 125 (2021) 7321–7328.","bibtex":"@article{Klimavicius_Hilbig_Gutmann_Buntkowsky_2021, title={Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">10.1021/acs.jpcc.0c10382</a>}, number={13}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Klimavicius, Vytautas and Hilbig, Harald and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={7321–7328} }","chicago":"Klimavicius, Vytautas, Harald Hilbig, Torsten Gutmann, and Gerd Buntkowsky. “Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy.” <i>Journal of Physical Chemistry C</i> 125, no. 13 (2021): 7321–7328. <a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">https://doi.org/10.1021/acs.jpcc.0c10382</a>.","ieee":"V. Klimavicius, H. Hilbig, T. Gutmann, and G. Buntkowsky, “Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 13, pp. 7321–7328, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">10.1021/acs.jpcc.0c10382</a>.","ama":"Klimavicius V, Hilbig H, Gutmann T, Buntkowsky G. Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy. <i>Journal of Physical Chemistry C</i>. 2021;125(13):7321–7328. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.0c10382\">10.1021/acs.jpcc.0c10382</a>"},"year":"2021"},{"language":[{"iso":"eng"}],"extern":"1","user_id":"100715","_id":"63982","status":"public","abstract":[{"text":"Polyethylene glycol (PEG) is gaining interest as an alternative green solvent in chemical synthesis and processing. This report presents density and viscosity data from 293.15 K to 358.15 K as well as self-diffusion coefficient data from 298.15 K to 358.15 K for oligomers of PEG from di- to nonaethylene glycol. The results were obtained by extrapolation from measurement series where water, the most common impurity in PEGs, was intentionally added in several increments. The obtained results are carefully compared to literature data, which are widely available only for density and viscosity, and only for the lower oligomers. Densities are found to be linearly dependent on temperatures for all studied oligomers. The temperature dependence of viscosity and self-diffusion coefficients show only slight deviations from the Arrhenius equation over the investigated temperature range. The activation energies obtained from the viscosity data agree well with the activation energies from the self-diffusion coefficient data and appear to be linearly dependent with respect to the number of ethylene oxide repeat units in the PEG oligomer. This linearity combined with the observation that the pre-exponential factor appears to be the same for all studied oligomers may serve as a tool to estimate viscosities and self-diffusion coefficients for higher oligomers within the investigated temperature range. The densities of the oligomers all fall within a rather narrow range without a clear trend in homologous series.","lang":"eng"}],"publication":"Journal of Chemical and Engineering Data","type":"journal_article","doi":"10.1021/acs.jced.1c00101","title":"Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers","volume":66,"date_created":"2026-02-07T15:44:34Z","author":[{"last_name":"Hoffmann","full_name":"Hoffmann, Markus M.","first_name":"Markus M."},{"first_name":"Rachel H.","last_name":"Horowitz","full_name":"Horowitz, Rachel H."},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"}],"publisher":"American Chemical Society","date_updated":"2026-02-17T16:16:55Z","page":"2480–2500","intvolume":"        66","citation":{"ama":"Hoffmann MM, Horowitz RH, Gutmann T, Buntkowsky G. Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers. <i>Journal of Chemical and Engineering Data</i>. 2021;66(6):2480–2500. doi:<a href=\"https://doi.org/10.1021/acs.jced.1c00101\">10.1021/acs.jced.1c00101</a>","ieee":"M. M. Hoffmann, R. H. Horowitz, T. Gutmann, and G. Buntkowsky, “Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers,” <i>Journal of Chemical and Engineering Data</i>, vol. 66, no. 6, pp. 2480–2500, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jced.1c00101\">10.1021/acs.jced.1c00101</a>.","chicago":"Hoffmann, Markus M., Rachel H. Horowitz, Torsten Gutmann, and Gerd Buntkowsky. “Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers.” <i>Journal of Chemical and Engineering Data</i> 66, no. 6 (2021): 2480–2500. <a href=\"https://doi.org/10.1021/acs.jced.1c00101\">https://doi.org/10.1021/acs.jced.1c00101</a>.","bibtex":"@article{Hoffmann_Horowitz_Gutmann_Buntkowsky_2021, title={Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers}, volume={66}, DOI={<a href=\"https://doi.org/10.1021/acs.jced.1c00101\">10.1021/acs.jced.1c00101</a>}, number={6}, journal={Journal of Chemical and Engineering Data}, publisher={American Chemical Society}, author={Hoffmann, Markus M. and Horowitz, Rachel H. and Gutmann, Torsten and Buntkowsky, Gerd}, year={2021}, pages={2480–2500} }","short":"M.M. Hoffmann, R.H. Horowitz, T. Gutmann, G. Buntkowsky, Journal of Chemical and Engineering Data 66 (2021) 2480–2500.","mla":"Hoffmann, Markus M., et al. “Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers.” <i>Journal of Chemical and Engineering Data</i>, vol. 66, no. 6, American Chemical Society, 2021, pp. 2480–2500, doi:<a href=\"https://doi.org/10.1021/acs.jced.1c00101\">10.1021/acs.jced.1c00101</a>.","apa":"Hoffmann, M. M., Horowitz, R. H., Gutmann, T., &#38; Buntkowsky, G. (2021). Densities, Viscosities, and Self-Diffusion Coefficients of Ethylene Glycol Oligomers. <i>Journal of Chemical and Engineering Data</i>, <i>66</i>(6), 2480–2500. <a href=\"https://doi.org/10.1021/acs.jced.1c00101\">https://doi.org/10.1021/acs.jced.1c00101</a>"},"year":"2021","issue":"6"},{"abstract":[{"text":"13C and 15N solid-state nuclear magnetic resonance (NMR) combined with dynamic nuclear polarization (DNP) is used to investigate the structure of dye-doped biopolymer-based materials that can be used in amplified spontaneous emission (ASE) experiments. By comparing calligraphic paper prepared from cellulose and scaffolds prepared from chitosan as substrates, differences in the interactions of the carrier material with the dye molecule Calcofluor White are obtained. These are most probably induced by structural changes of the carrier material due to its interaction with water forming hydrogen bonds. Such structural differences may explain the obtained variation of the emission wavelength of Calcofluor White doped on these substrates in ASE experiments.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Journal of Physical Chemistry C","language":[{"iso":"eng"}],"extern":"1","_id":"63986","user_id":"100715","year":"2021","citation":{"apa":"Höfler, M. V., Hoinka, N., Schäfer, T., Horn, M., Aussenac, F., Fuhrmann-Lieker, T., &#38; Gutmann, T. (2021). Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization. <i>Journal of Physical Chemistry C</i>, <i>125</i>(39), 21550–21558. <a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">https://doi.org/10.1021/acs.jpcc.1c06737</a>","bibtex":"@article{Höfler_Hoinka_Schäfer_Horn_Aussenac_Fuhrmann-Lieker_Gutmann_2021, title={Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization}, volume={125}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">10.1021/acs.jpcc.1c06737</a>}, number={39}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Höfler, Mark V. and Hoinka, Nicolai and Schäfer, Timmy and Horn, Marilia and Aussenac, Fabien and Fuhrmann-Lieker, Thomas and Gutmann, Torsten}, year={2021}, pages={21550–21558} }","mla":"Höfler, Mark V., et al. “Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization.” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 39, American Chemical Society, 2021, pp. 21550–21558, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">10.1021/acs.jpcc.1c06737</a>.","short":"M.V. Höfler, N. Hoinka, T. Schäfer, M. Horn, F. Aussenac, T. Fuhrmann-Lieker, T. Gutmann, Journal of Physical Chemistry C 125 (2021) 21550–21558.","chicago":"Höfler, Mark V., Nicolai Hoinka, Timmy Schäfer, Marilia Horn, Fabien Aussenac, Thomas Fuhrmann-Lieker, and Torsten Gutmann. “Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization.” <i>Journal of Physical Chemistry C</i> 125, no. 39 (2021): 21550–21558. <a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">https://doi.org/10.1021/acs.jpcc.1c06737</a>.","ieee":"M. V. Höfler <i>et al.</i>, “Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization,” <i>Journal of Physical Chemistry C</i>, vol. 125, no. 39, pp. 21550–21558, 2021, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">10.1021/acs.jpcc.1c06737</a>.","ama":"Höfler MV, Hoinka N, Schäfer T, et al. Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization. <i>Journal of Physical Chemistry C</i>. 2021;125(39):21550–21558. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.1c06737\">10.1021/acs.jpcc.1c06737</a>"},"intvolume":"       125","page":"21550–21558","publication_identifier":{"issn":["1932-7447"]},"issue":"39","title":"Light Amplification Materials Based on Biopolymers Doped with Dye Molecules—Structural Insights from 15N and 13C Solid-State Dynamic Nuclear Polarization","doi":"10.1021/acs.jpcc.1c06737","publisher":"American Chemical Society","date_updated":"2026-02-17T16:16:48Z","author":[{"last_name":"Höfler","full_name":"Höfler, Mark V.","first_name":"Mark V."},{"full_name":"Hoinka, Nicolai","last_name":"Hoinka","first_name":"Nicolai"},{"full_name":"Schäfer, Timmy","last_name":"Schäfer","first_name":"Timmy"},{"last_name":"Horn","full_name":"Horn, Marilia","first_name":"Marilia"},{"last_name":"Aussenac","full_name":"Aussenac, Fabien","first_name":"Fabien"},{"last_name":"Fuhrmann-Lieker","full_name":"Fuhrmann-Lieker, Thomas","first_name":"Thomas"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"}],"date_created":"2026-02-07T15:45:54Z","volume":125},{"_id":"63973","user_id":"100715","extern":"1","language":[{"iso":"eng"}],"publication":"Scientific Reports","type":"journal_article","abstract":[{"text":"A novel specific spin-labeling strategy for bioactive molecules is presented for eptifibatide (integrilin) an antiplatelet aggregation inhibitor, which derives from the venom of certain rattlesnakes. By specifically labeling the disulfide bridge this molecule becomes accessible for analytical techniques such as Electron Paramagnetic Resonance (EPR) and solid state Dynamic Nuclear Polarization (DNP). The necessary spin-label was synthesized and inserted into the disulfide bridge of eptifibatide via reductive followed by insertion by a double Michael addition under physiological conditions. This procedure is universally applicable for disulfide containing biomolecules and is expected to preserve their tertiary structure with minimal change due to the small size of the label and restoring of the previous disulfide connection. HPLC and MS analysis show the successful introduction of the spin label and EPR spectroscopy confirms its activity. DNP-enhanced solid state NMR experiments show signal enhancement factors of up to 19 in 13C CP MAS experiments which corresponds to time saving factors of up to 361. This clearly shows the high potential of our new spin labeling strategy for the introduction of site selective radical spin labels into biomolecules and biosolids without compromising its conformational integrity for structural investigations employing solid-state DNP or advanced EPR techniques.","lang":"eng"}],"status":"public","date_updated":"2026-02-17T16:17:24Z","volume":11,"date_created":"2026-02-07T15:41:36Z","author":[{"full_name":"Herr, Kevin","last_name":"Herr","first_name":"Kevin"},{"full_name":"Fleckenstein, Max","last_name":"Fleckenstein","first_name":"Max"},{"first_name":"Martin","full_name":"Brodrecht, Martin","last_name":"Brodrecht"},{"full_name":"Höfler, Mark V.","last_name":"Höfler","first_name":"Mark V."},{"last_name":"Heise","full_name":"Heise, Henrike","first_name":"Henrike"},{"first_name":"Fabien","last_name":"Aussenac","full_name":"Aussenac, Fabien"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"last_name":"Reggelin","full_name":"Reggelin, Michael","first_name":"Michael"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"title":"A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy","doi":"10.1038/s41598-021-92975-6","issue":"1","year":"2021","intvolume":"        11","page":"13714","citation":{"ieee":"K. Herr <i>et al.</i>, “A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy,” <i>Scientific Reports</i>, vol. 11, no. 1, p. 13714, 2021, doi: <a href=\"https://doi.org/10.1038/s41598-021-92975-6\">10.1038/s41598-021-92975-6</a>.","chicago":"Herr, Kevin, Max Fleckenstein, Martin Brodrecht, Mark V. Höfler, Henrike Heise, Fabien Aussenac, Torsten Gutmann, Michael Reggelin, and Gerd Buntkowsky. “A Novel Strategy for Site Selective Spin-Labeling to Investigate Bioactive Entities by DNP and EPR Spectroscopy.” <i>Scientific Reports</i> 11, no. 1 (2021): 13714. <a href=\"https://doi.org/10.1038/s41598-021-92975-6\">https://doi.org/10.1038/s41598-021-92975-6</a>.","ama":"Herr K, Fleckenstein M, Brodrecht M, et al. A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy. <i>Scientific Reports</i>. 2021;11(1):13714. doi:<a href=\"https://doi.org/10.1038/s41598-021-92975-6\">10.1038/s41598-021-92975-6</a>","apa":"Herr, K., Fleckenstein, M., Brodrecht, M., Höfler, M. V., Heise, H., Aussenac, F., Gutmann, T., Reggelin, M., &#38; Buntkowsky, G. (2021). A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy. <i>Scientific Reports</i>, <i>11</i>(1), 13714. <a href=\"https://doi.org/10.1038/s41598-021-92975-6\">https://doi.org/10.1038/s41598-021-92975-6</a>","short":"K. Herr, M. Fleckenstein, M. Brodrecht, M.V. Höfler, H. Heise, F. Aussenac, T. Gutmann, M. Reggelin, G. Buntkowsky, Scientific Reports 11 (2021) 13714.","mla":"Herr, Kevin, et al. “A Novel Strategy for Site Selective Spin-Labeling to Investigate Bioactive Entities by DNP and EPR Spectroscopy.” <i>Scientific Reports</i>, vol. 11, no. 1, 2021, p. 13714, doi:<a href=\"https://doi.org/10.1038/s41598-021-92975-6\">10.1038/s41598-021-92975-6</a>.","bibtex":"@article{Herr_Fleckenstein_Brodrecht_Höfler_Heise_Aussenac_Gutmann_Reggelin_Buntkowsky_2021, title={A novel strategy for site selective spin-labeling to investigate bioactive entities by DNP and EPR spectroscopy}, volume={11}, DOI={<a href=\"https://doi.org/10.1038/s41598-021-92975-6\">10.1038/s41598-021-92975-6</a>}, number={1}, journal={Scientific Reports}, author={Herr, Kevin and Fleckenstein, Max and Brodrecht, Martin and Höfler, Mark V. and Heise, Henrike and Aussenac, Fabien and Gutmann, Torsten and Reggelin, Michael and Buntkowsky, Gerd}, year={2021}, pages={13714} }"}}]