[{"language":[{"iso":"eng"}],"extern":"1","keyword":["solid-state nmr","dynamic nuclear polarization","peptides","Biradicals","Spin labeling"],"user_id":"100715","_id":"63974","status":"public","abstract":[{"lang":"eng","text":"A versatile strategy for synthesizing tailored peptide based biradicals is presented. By labeling the protected amino acid hydroxyproline with PROXYL via the OH functionality and using this building block in solid phase peptide synthesis (SPPS), the obtained peptides become polarization agents for DNP enhanced solid-state NMR in biotolerant media. To analyze the effect of the radical position on the enhancement factor, three different biradicals are synthesized. The PROXYL spin-label is inserted in a collagen inspired artificial peptide sequence by binding through the OH group of the hydroxyproline moieties at specific position in the chain. This labeling strategy is universally applicable for any hydroxyproline position in a peptide sequence since solid-phase peptide synthesis is used to insert the building block. High performance liquid chromatography (HPLC) and mass spectrometry (MS) analyses show the successful introduction of the spin label in the peptide chain and electron paramagnetic resonance (EPR) spectroscopy confirms its activity. Dynamic nuclear polarization (DNP) enhanced solid-state nuclear magnetic resonance (NMR) experiments performed on frozen aqueous glycerol-d8 solutions containing these peptide radicals show significantly higher enhancement factors of up to 45 in 1H→13C cross polarization magic angle spinning (CP MAS) experiments compared to an analogous mono-radical peptide including this building block (ε ≈ 14). Compared to commercial biradicals such as AMUPol for which enhancement factors {\\textgreater} 100 have been obtained in the past and which have been optimized in their structure, the obtained enhancement up to 45 for our biradicals presents a significant progress in radical design."}],"publication":"Journal of Magnetic Resonance Open","type":"journal_article","doi":"10.1016/j.jmro.2024.100152","title":"Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media","volume":20,"author":[{"full_name":"Herr, Kevin","last_name":"Herr","first_name":"Kevin"},{"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","full_name":"Aussenac, Fabien","last_name":"Aussenac"},{"first_name":"Felix","last_name":"Kornemann","full_name":"Kornemann, Felix"},{"full_name":"Rosenberger, David","last_name":"Rosenberger","first_name":"David"},{"first_name":"Martin","full_name":"Brodrecht, Martin","last_name":"Brodrecht"},{"full_name":"Oliveira, Marcos","last_name":"Oliveira","first_name":"Marcos"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"}],"date_created":"2026-02-07T15:42:00Z","date_updated":"2026-02-17T16:17:22Z","page":"100152","intvolume":"        20","citation":{"bibtex":"@article{Herr_Höfler_Heise_Aussenac_Kornemann_Rosenberger_Brodrecht_Oliveira_Buntkowsky_Gutmann_2024, title={Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media}, volume={20}, DOI={<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>}, journal={Journal of Magnetic Resonance Open}, author={Herr, Kevin and Höfler, Mark V. and Heise, Henrike and Aussenac, Fabien and Kornemann, Felix and Rosenberger, David and Brodrecht, Martin and Oliveira, Marcos and Buntkowsky, Gerd and Gutmann, Torsten}, year={2024}, pages={100152} }","short":"K. Herr, M.V. Höfler, H. Heise, F. Aussenac, F. Kornemann, D. Rosenberger, M. Brodrecht, M. Oliveira, G. Buntkowsky, T. Gutmann, Journal of Magnetic Resonance Open 20 (2024) 100152.","mla":"Herr, Kevin, et al. “Biradicals Based on PROXYL Containing Building Blocks for Efficient Dynamic Nuclear Polarization in Biotolerant Media.” <i>Journal of Magnetic Resonance Open</i>, vol. 20, 2024, p. 100152, doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>.","apa":"Herr, K., Höfler, M. V., Heise, H., Aussenac, F., Kornemann, F., Rosenberger, D., Brodrecht, M., Oliveira, M., Buntkowsky, G., &#38; Gutmann, T. (2024). Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media. <i>Journal of Magnetic Resonance Open</i>, <i>20</i>, 100152. <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">https://doi.org/10.1016/j.jmro.2024.100152</a>","ama":"Herr K, Höfler MV, Heise H, et al. Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media. <i>Journal of Magnetic Resonance Open</i>. 2024;20:100152. doi:<a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>","chicago":"Herr, Kevin, Mark V. Höfler, Henrike Heise, Fabien Aussenac, Felix Kornemann, David Rosenberger, Martin Brodrecht, Marcos Oliveira, Gerd Buntkowsky, and Torsten Gutmann. “Biradicals Based on PROXYL Containing Building Blocks for Efficient Dynamic Nuclear Polarization in Biotolerant Media.” <i>Journal of Magnetic Resonance Open</i> 20 (2024): 100152. <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">https://doi.org/10.1016/j.jmro.2024.100152</a>.","ieee":"K. Herr <i>et al.</i>, “Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media,” <i>Journal of Magnetic Resonance Open</i>, vol. 20, p. 100152, 2024, doi: <a href=\"https://doi.org/10.1016/j.jmro.2024.100152\">10.1016/j.jmro.2024.100152</a>."},"year":"2024"},{"date_updated":"2026-02-17T16:17:19Z","author":[{"first_name":"Laura M.","full_name":"Hillscher, Laura M.","last_name":"Hillscher"},{"first_name":"Mark V.","last_name":"Höfler","full_name":"Höfler, Mark V."},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"first_name":"Cassia","last_name":"Lux","full_name":"Lux, Cassia"},{"full_name":"Clerkin, K. Uta","last_name":"Clerkin","first_name":"K. Uta"},{"first_name":"Gerhard","last_name":"Schwall","full_name":"Schwall, Gerhard"},{"full_name":"Villforth, Klaus","last_name":"Villforth","first_name":"Klaus"},{"full_name":"Schabel, Samuel","last_name":"Schabel","first_name":"Samuel"},{"first_name":"Markus","last_name":"Biesalski","full_name":"Biesalski, Markus"}],"date_created":"2026-02-07T15:42:23Z","volume":31,"title":"Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties","doi":"10.1007/s10570-024-05748-5","publication_identifier":{"issn":["0969-0239"]},"issue":"5","year":"2024","citation":{"ama":"Hillscher LM, Höfler MV, Gutmann T, et al. Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties. <i>Cellulose</i>. 2024;31(5):3067–3082. doi:<a href=\"https://doi.org/10.1007/s10570-024-05748-5\">10.1007/s10570-024-05748-5</a>","ieee":"L. M. Hillscher <i>et al.</i>, “Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties,” <i>Cellulose</i>, vol. 31, no. 5, pp. 3067–3082, 2024, doi: <a href=\"https://doi.org/10.1007/s10570-024-05748-5\">10.1007/s10570-024-05748-5</a>.","chicago":"Hillscher, Laura M., Mark V. Höfler, Torsten Gutmann, Cassia Lux, K. Uta Clerkin, Gerhard Schwall, Klaus Villforth, Samuel Schabel, and Markus Biesalski. “Influence of TEMPO-Oxidation on Pulp Fiber Chemistry, Morphology and Mechanical Paper Sheet Properties.” <i>Cellulose</i> 31, no. 5 (2024): 3067–3082. <a href=\"https://doi.org/10.1007/s10570-024-05748-5\">https://doi.org/10.1007/s10570-024-05748-5</a>.","apa":"Hillscher, L. M., Höfler, M. V., Gutmann, T., Lux, C., Clerkin, K. U., Schwall, G., Villforth, K., Schabel, S., &#38; Biesalski, M. (2024). Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties. <i>Cellulose</i>, <i>31</i>(5), 3067–3082. <a href=\"https://doi.org/10.1007/s10570-024-05748-5\">https://doi.org/10.1007/s10570-024-05748-5</a>","mla":"Hillscher, Laura M., et al. “Influence of TEMPO-Oxidation on Pulp Fiber Chemistry, Morphology and Mechanical Paper Sheet Properties.” <i>Cellulose</i>, vol. 31, no. 5, 2024, pp. 3067–3082, doi:<a href=\"https://doi.org/10.1007/s10570-024-05748-5\">10.1007/s10570-024-05748-5</a>.","short":"L.M. Hillscher, M.V. Höfler, T. Gutmann, C. Lux, K.U. Clerkin, G. Schwall, K. Villforth, S. Schabel, M. Biesalski, Cellulose 31 (2024) 3067–3082.","bibtex":"@article{Hillscher_Höfler_Gutmann_Lux_Clerkin_Schwall_Villforth_Schabel_Biesalski_2024, title={Influence of TEMPO-oxidation on pulp fiber chemistry, morphology and mechanical paper sheet properties}, volume={31}, DOI={<a href=\"https://doi.org/10.1007/s10570-024-05748-5\">10.1007/s10570-024-05748-5</a>}, number={5}, journal={Cellulose}, author={Hillscher, Laura M. and Höfler, Mark V. and Gutmann, Torsten and Lux, Cassia and Clerkin, K. Uta and Schwall, Gerhard and Villforth, Klaus and Schabel, Samuel and Biesalski, Markus}, year={2024}, pages={3067–3082} }"},"intvolume":"        31","page":"3067–3082","_id":"63975","user_id":"100715","extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"Cellulose","abstract":[{"text":"In this contribution, we report on the TEMPO-mediated oxidation of pulp fibers used in the general context of papermaking and for the future design of tailor-made paper in advanced applications. We focus in our studies on properties of TEMPO-oxidized pulp fibers to explain the characteristics of the paper made thereof. 13C solid-state NMR analysis reveals that in particular amorphous regions of the fibers are being chemically oxidized, while at the same time the crystalline regions of the fibers are not significantly affected. Investigation of the fiber morphology before and after oxidation shows that the fiber length is not changed, yet the fibers do exhibit an increase in width if in contact with water, which is attributed to an increase in fiber swelling. In addition, fibrillation decreases due to the oxidative removal of loosely bound fines and fibrils, rendering the surface of the resulting oxidized fibers much smoother in comparison to the original fibers. Finally, we observe that both, dry and wet tensile strengths are also higher for paper made of oxidized fibers, most likely due to cross linkable aldehyde groups formed during oxidation (i.e. hemiacetal bond formation in the sheet during thermal drying). Our results of the oxidation of paper fibers thus offer a systematic study helpful for the design of tailor-made paper useful in several applications where a fiber-modification with fiber-immobilized functional motifs is crucial, such as for example in paper-based microfluidic sensors (µPADs) or lab-on a chip-devices.","lang":"eng"}],"status":"public"},{"page":"e202401159","citation":{"ama":"Haro Mares N, Logrado M, Kergassner J, Zhang B, Gutmann T, Buntkowsky G. Solid-State NMR of Heterogeneous Catalysts. <i>ChemCatChem</i>. Published online 2024:e202401159. doi:<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>","chicago":"Haro Mares, Nadia, Millena Logrado, Jan Kergassner, Bingyu Zhang, Torsten Gutmann, and Gerd Buntkowsky. “Solid-State NMR of Heterogeneous Catalysts.” <i>ChemCatChem</i>, 2024, e202401159. <a href=\"https://doi.org/10.1002/cctc.202401159\">https://doi.org/10.1002/cctc.202401159</a>.","ieee":"N. Haro Mares, M. Logrado, J. Kergassner, B. Zhang, T. Gutmann, and G. Buntkowsky, “Solid-State NMR of Heterogeneous Catalysts,” <i>ChemCatChem</i>, p. e202401159, 2024, doi: <a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>.","bibtex":"@article{Haro Mares_Logrado_Kergassner_Zhang_Gutmann_Buntkowsky_2024, title={Solid-State NMR of Heterogeneous Catalysts}, DOI={<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>}, journal={ChemCatChem}, publisher={John Wiley &#38; Sons, Ltd}, author={Haro Mares, Nadia and Logrado, Millena and Kergassner, Jan and Zhang, Bingyu and Gutmann, Torsten and Buntkowsky, Gerd}, year={2024}, pages={e202401159} }","mla":"Haro Mares, Nadia, et al. “Solid-State NMR of Heterogeneous Catalysts.” <i>ChemCatChem</i>, John Wiley &#38; Sons, Ltd, 2024, p. e202401159, doi:<a href=\"https://doi.org/10.1002/cctc.202401159\">10.1002/cctc.202401159</a>.","short":"N. Haro Mares, M. Logrado, J. Kergassner, B. Zhang, T. Gutmann, G. Buntkowsky, ChemCatChem (2024) e202401159.","apa":"Haro Mares, N., Logrado, M., Kergassner, J., Zhang, B., Gutmann, T., &#38; Buntkowsky, G. (2024). Solid-State NMR of Heterogeneous Catalysts. <i>ChemCatChem</i>, e202401159. <a href=\"https://doi.org/10.1002/cctc.202401159\">https://doi.org/10.1002/cctc.202401159</a>"},"year":"2024","publication_identifier":{"issn":["1867-3880"]},"doi":"10.1002/cctc.202401159","title":"Solid-State NMR of Heterogeneous Catalysts","author":[{"last_name":"Haro Mares","full_name":"Haro Mares, Nadia","first_name":"Nadia"},{"first_name":"Millena","full_name":"Logrado, Millena","last_name":"Logrado"},{"first_name":"Jan","last_name":"Kergassner","full_name":"Kergassner, Jan"},{"first_name":"Bingyu","full_name":"Zhang, Bingyu","last_name":"Zhang"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_created":"2026-02-07T15:40:38Z","publisher":"John Wiley & Sons, Ltd","date_updated":"2026-02-17T16:17:30Z","status":"public","abstract":[{"text":"Abstract Recent advances in solid-state nuclear magnetic resonance (NMR) spectroscopy, combined with dynamic nuclear polarization (DNP), quantum chemical DFT calculations, and gas-phase NMR spectroscopy investigating the structure and reactivity of heterogeneous catalysts are reviewed. The investigated catalysts range from classical mononuclear catalysts, like immobilized derivates of Wilkinson’s catalysts over binuclear catalysts such as the dirhodium paddlewheel catalyst to catalytic nanoparticles, employing various support materials, such as mesoporous silica gels, coordination polymers, and biomaterials such as cellulose.","lang":"eng"}],"publication":"ChemCatChem","type":"journal_article","language":[{"iso":"eng"}],"extern":"1","keyword":["solid-state nmr","heterogeneous catalysis","dynamic nuclear polarization","Nanocatalysis","Surface-reactions"],"user_id":"100715","_id":"63970"},{"abstract":[{"lang":"eng","text":"Abstract In this work, we report on an improved cell assembly of cylindrical electrochemical cells for 23Na in-situ solid-state NMR (ssNMR) investigations. The cell set-up is suitable for using powder electrode materials. Reproducibility of our cell assembly is analyzed by preparing two cells containing hard carbon (HC) powder as working electrode and sodium metal as reference electrode. Electrochemical storage properties of HC powder electrode derived from carbonization of sustainable cellulose are studied by ssNMR. 23Na in-situ ssNMR monitors the sodiation/desodiation of a Na{\\textbar}NaPF6{\\textbar}HC cell (cell 1) over a period of 22?days, showing high cell stability. After the galvanostatic process, the HC powder material is investigated by high resolution 23Na ex-situ MAS NMR. The formation of ionic sodium species in different chemical environments is obtained. Subsequently, a second Na{\\textbar}NaPF6{\\textbar}HC cell (cell 2) is sodiated for 11?days achieving a capacity of 220?mAh/g. 23Na ex-situ MAS NMR measurements of the HC powder material extracted from this cell clearly indicate the presence of quasi-metallic sodium species next to ionic sodium species. This observation of quasi-metallic sodium species is discussed in terms of the achieved capacity of the cell as well as of side reactions of sodium in this electrode material."}],"status":"public","publication":"Chemsuschem","type":"journal_article","keyword":["solid-state nmr","hard carbon","electrochemical cells","in-situ characterization","sodium"],"extern":"1","language":[{"iso":"eng"}],"_id":"64045","user_id":"100715","year":"2023","page":"e202301300","intvolume":"        17","citation":{"apa":"Šić, E., Schutjajew, K., Haagen, U., Breitzke, H., Oschatz, M., Buntkowsky, G., &#38; Gutmann, T. (2023). Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR. <i>Chemsuschem</i>, <i>17</i>, e202301300. <a href=\"https://doi.org/10.1002/cssc.202301300\">https://doi.org/10.1002/cssc.202301300</a>","mla":"Šić, Edina, et al. “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR.” <i>Chemsuschem</i>, vol. 17, John Wiley &#38; Sons, Ltd, 2023, p. e202301300, doi:<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>.","short":"E. Šić, K. Schutjajew, U. Haagen, H. Breitzke, M. Oschatz, G. Buntkowsky, T. Gutmann, Chemsuschem 17 (2023) e202301300.","bibtex":"@article{Šić_Schutjajew_Haagen_Breitzke_Oschatz_Buntkowsky_Gutmann_2023, title={Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR}, volume={17}, DOI={<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>}, journal={Chemsuschem}, publisher={John Wiley &#38; Sons, Ltd}, author={Šić, Edina and Schutjajew, Konstantin and Haagen, Ulrich and Breitzke, Hergen and Oschatz, Martin and Buntkowsky, Gerd and Gutmann, Torsten}, year={2023}, pages={e202301300} }","ama":"Šić E, Schutjajew K, Haagen U, et al. Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR. <i>Chemsuschem</i>. 2023;17:e202301300. doi:<a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>","chicago":"Šić, Edina, Konstantin Schutjajew, Ulrich Haagen, Hergen Breitzke, Martin Oschatz, Gerd Buntkowsky, and Torsten Gutmann. “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR.” <i>Chemsuschem</i> 17 (2023): e202301300. <a href=\"https://doi.org/10.1002/cssc.202301300\">https://doi.org/10.1002/cssc.202301300</a>.","ieee":"E. Šić <i>et al.</i>, “Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR,” <i>Chemsuschem</i>, vol. 17, p. e202301300, 2023, doi: <a href=\"https://doi.org/10.1002/cssc.202301300\">10.1002/cssc.202301300</a>."},"publication_identifier":{"issn":["1864-5631"]},"title":"Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR","doi":"10.1002/cssc.202301300","date_updated":"2026-02-17T16:13:10Z","publisher":"John Wiley & Sons, Ltd","volume":17,"author":[{"full_name":"Šić, Edina","last_name":"Šić","first_name":"Edina"},{"first_name":"Konstantin","full_name":"Schutjajew, Konstantin","last_name":"Schutjajew"},{"first_name":"Ulrich","last_name":"Haagen","full_name":"Haagen, Ulrich"},{"full_name":"Breitzke, Hergen","last_name":"Breitzke","first_name":"Hergen"},{"first_name":"Martin","last_name":"Oschatz","full_name":"Oschatz, Martin"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"}],"date_created":"2026-02-07T16:12:13Z"},{"publisher":"John Wiley & Sons, Ltd","date_updated":"2026-02-17T16:13:11Z","date_created":"2026-02-07T16:11:46Z","author":[{"first_name":"Edina","last_name":"Šić","full_name":"Šić, Edina"},{"first_name":"Jochen","last_name":"Rohrer","full_name":"Rohrer, Jochen"},{"last_name":"Ricohermoso","full_name":"Ricohermoso, Emmanuel","first_name":"Emmanuel"},{"full_name":"Albe, Karsten","last_name":"Albe","first_name":"Karsten"},{"full_name":"Ionescu, Emmanuel","last_name":"Ionescu","first_name":"Emmanuel"},{"first_name":"Ralf","last_name":"Riedel","full_name":"Riedel, Ralf"},{"first_name":"Hergen","full_name":"Breitzke, Hergen","last_name":"Breitzke"},{"first_name":"Torsten","id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"}],"volume":16,"title":"SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations","doi":"10.1002/cssc.202202241","publication_identifier":{"issn":["1864-5631"]},"year":"2023","citation":{"chicago":"Šić, Edina, Jochen Rohrer, Emmanuel Ricohermoso, Karsten Albe, Emmanuel Ionescu, Ralf Riedel, Hergen Breitzke, Torsten Gutmann, and Gerd Buntkowsky. “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations.” <i>Chemsuschem</i> 16 (2023): e202202241. <a href=\"https://doi.org/10.1002/cssc.202202241\">https://doi.org/10.1002/cssc.202202241</a>.","ieee":"E. Šić <i>et al.</i>, “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations,” <i>Chemsuschem</i>, vol. 16, p. e202202241, 2023, doi: <a href=\"https://doi.org/10.1002/cssc.202202241\">10.1002/cssc.202202241</a>.","ama":"Šić E, Rohrer J, Ricohermoso E, et al. SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations. <i>Chemsuschem</i>. 2023;16:e202202241. doi:<a href=\"https://doi.org/10.1002/cssc.202202241\">10.1002/cssc.202202241</a>","apa":"Šić, E., Rohrer, J., Ricohermoso, E., Albe, K., Ionescu, E., Riedel, R., Breitzke, H., Gutmann, T., &#38; Buntkowsky, G. (2023). SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations. <i>Chemsuschem</i>, <i>16</i>, e202202241. <a href=\"https://doi.org/10.1002/cssc.202202241\">https://doi.org/10.1002/cssc.202202241</a>","short":"E. Šić, J. Rohrer, E. Ricohermoso, K. Albe, E. Ionescu, R. Riedel, H. Breitzke, T. Gutmann, G. Buntkowsky, Chemsuschem 16 (2023) e202202241.","bibtex":"@article{Šić_Rohrer_Ricohermoso_Albe_Ionescu_Riedel_Breitzke_Gutmann_Buntkowsky_2023, title={SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations}, volume={16}, DOI={<a href=\"https://doi.org/10.1002/cssc.202202241\">10.1002/cssc.202202241</a>}, journal={Chemsuschem}, publisher={John Wiley &#38; Sons, Ltd}, author={Šić, Edina and Rohrer, Jochen and Ricohermoso, Emmanuel and Albe, Karsten and Ionescu, Emmanuel and Riedel, Ralf and Breitzke, Hergen and Gutmann, Torsten and Buntkowsky, Gerd}, year={2023}, pages={e202202241} }","mla":"Šić, Edina, et al. “SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT Calculations.” <i>Chemsuschem</i>, vol. 16, John Wiley &#38; Sons, Ltd, 2023, p. e202202241, doi:<a href=\"https://doi.org/10.1002/cssc.202202241\">10.1002/cssc.202202241</a>."},"page":"e202202241","intvolume":"        16","_id":"64044","user_id":"100715","keyword":["NMR spectroscopy","Ceramics","defects","density functional calculations","EPR spectroscopy"],"extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"Chemsuschem","abstract":[{"text":"Abstract Polymer-derived silicon oxycarbide ceramics (SiCO) have been considered as potential anode materials for lithium- and sodium-ion batteries. To understand their electrochemical storage behavior, detailed insights into structural sites present in SiCO are required. In this work, the study of local structures in SiCO ceramics containing different amounts of carbon is presented. 13C and 29Si solid-state MAS?NMR spectroscopy combined with DFT calculations, atomistic modeling, and EPR investigations, suggest significant changes in the local structures of SiCO ceramics even by small changes in the material composition. The provided findings on SiCO structures will contribute to the research field of polymer-derived ceramics, especially to understand electrochemical storage processes of alkali metal/ions such as Na/Na+ inside such networks in the future.","lang":"eng"}],"status":"public"},{"year":"2023","citation":{"mla":"Schumacher, Leon, et al. “Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies.” <i>ACS Catalysis</i>, vol. 13, no. 12, American Chemical Society, 2023, pp. 8139–8160, doi:<a href=\"https://doi.org/10.1021/acscatal.3c01404\">10.1021/acscatal.3c01404</a>.","bibtex":"@article{Schumacher_Pfeiffer_Shen_Gutmann_Breitzke_Buntkowsky_Hofmann_Hess_2023, title={Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies}, volume={13}, DOI={<a href=\"https://doi.org/10.1021/acscatal.3c01404\">10.1021/acscatal.3c01404</a>}, number={12}, journal={ACS Catalysis}, publisher={American Chemical Society}, author={Schumacher, Leon and Pfeiffer, Johannes and Shen, Jun and Gutmann, Torsten and Breitzke, Hergen and Buntkowsky, Gerd and Hofmann, Kathrin and Hess, Christian}, year={2023}, pages={8139–8160} }","short":"L. Schumacher, J. Pfeiffer, J. Shen, T. Gutmann, H. Breitzke, G. Buntkowsky, K. Hofmann, C. Hess, ACS Catalysis 13 (2023) 8139–8160.","apa":"Schumacher, L., Pfeiffer, J., Shen, J., Gutmann, T., Breitzke, H., Buntkowsky, G., Hofmann, K., &#38; Hess, C. (2023). Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies. <i>ACS Catalysis</i>, <i>13</i>(12), 8139–8160. <a href=\"https://doi.org/10.1021/acscatal.3c01404\">https://doi.org/10.1021/acscatal.3c01404</a>","ieee":"L. Schumacher <i>et al.</i>, “Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies,” <i>ACS Catalysis</i>, vol. 13, no. 12, pp. 8139–8160, 2023, doi: <a href=\"https://doi.org/10.1021/acscatal.3c01404\">10.1021/acscatal.3c01404</a>.","chicago":"Schumacher, Leon, Johannes Pfeiffer, Jun Shen, Torsten Gutmann, Hergen Breitzke, Gerd Buntkowsky, Kathrin Hofmann, and Christian Hess. “Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies.” <i>ACS Catalysis</i> 13, no. 12 (2023): 8139–8160. <a href=\"https://doi.org/10.1021/acscatal.3c01404\">https://doi.org/10.1021/acscatal.3c01404</a>.","ama":"Schumacher L, Pfeiffer J, Shen J, et al. Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies. <i>ACS Catalysis</i>. 2023;13(12):8139–8160. doi:<a href=\"https://doi.org/10.1021/acscatal.3c01404\">10.1021/acscatal.3c01404</a>"},"intvolume":"        13","page":"8139–8160","issue":"12","title":"Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopies","doi":"10.1021/acscatal.3c01404","date_updated":"2026-02-17T16:13:23Z","publisher":"American Chemical Society","date_created":"2026-02-07T16:09:39Z","author":[{"last_name":"Schumacher","full_name":"Schumacher, Leon","first_name":"Leon"},{"last_name":"Pfeiffer","full_name":"Pfeiffer, Johannes","first_name":"Johannes"},{"last_name":"Shen","full_name":"Shen, Jun","first_name":"Jun"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"},{"first_name":"Kathrin","last_name":"Hofmann","full_name":"Hofmann, Kathrin"},{"first_name":"Christian","last_name":"Hess","full_name":"Hess, Christian"}],"volume":13,"abstract":[{"lang":"eng","text":"The oxidative dehydrogenation (ODH) of propane is of great technical importance, and supported VOx catalysts have shown promising properties for the reaction. One of the most prominent and active supports is titania, which exhibits a high activity but many questions regarding the catalyst system are still in debate. In this study, we elucidate the mechanism of the propane ODH reaction over VOx/TiO2, using P25 and ALD (atomic layer deposition) synthesized TiO2/SBA-15 as a support, with X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), 51V solid-state (ss)NMR, operando multiwavelength Raman, operando UV–vis, and transient IR spectroscopies. Bare titania shows a small conversion, leading to carbon formation, and the reaction occurs at the interface between anatase and rutile. In comparison, in VOx/TiO2 catalysts, the activity shifts from titania to vanadia sites. UV-Raman spectroscopy and structural characterization data revealed the reaction to involve preferentially the V═O bonds of dimeric species rather than doubly bridged V–O–V bonds, which leads to higher propene selectivities. The active vanadium site shows a nuclearity-dependent behavior; that is, at higher loadings, when oligomeric vanadia is present, it shifts from V═O bonds to linear V–O–V bonds in oligomers, leading to less selective oxidation due to the better reducibility. Our operando/transient spectroscopic results demonstrate the direct participation of the titania support in the reaction by influencing the degree of vanadia oligomerization and enabling rapid hydrogen transfer from propane to vanadia via Ti–OH groups on anatase, accelerating the rate-determining step of the initial C–H bond breakage. The broader applicability of the results is confirmed by the behavior of the ALD-synthesized sample, which resembles that of P25. Our results highlight the detailed level of mechanistic understanding accessible from multiple spectroscopic approaches, which can be readily transferred to other materials and/or reactions. The oxidative dehydrogenation (ODH) of propane is of great technical importance, and supported VOx catalysts have shown promising properties for the reaction. One of the most prominent and active supports is titania, which exhibits a high activity but many questions regarding the catalyst system are still in debate. In this study, we elucidate the mechanism of the propane ODH reaction over VOx/TiO2, using P25 and ALD (atomic layer deposition) synthesized TiO2/SBA-15 as a support, with X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), 51V solid-state (ss)NMR, operando multiwavelength Raman, operando UV–vis, and transient IR spectroscopies. Bare titania shows a small conversion, leading to carbon formation, and the reaction occurs at the interface between anatase and rutile. In comparison, in VOx/TiO2 catalysts, the activity shifts from titania to vanadia sites. UV-Raman spectroscopy and structural characterization data revealed the reaction to involve preferentially the V═O bonds of dimeric species rather than doubly bridged V–O–V bonds, which leads to higher propene selectivities. The active vanadium site shows a nuclearity-dependent behavior; that is, at higher loadings, when oligomeric vanadia is present, it shifts from V═O bonds to linear V–O–V bonds in oligomers, leading to less selective oxidation due to the better reducibility. Our operando/transient spectroscopic results demonstrate the direct participation of the titania support in the reaction by influencing the degree of vanadia oligomerization and enabling rapid hydrogen transfer from propane to vanadia via Ti–OH groups on anatase, accelerating the rate-determining step of the initial C–H bond breakage. The broader applicability of the results is confirmed by the behavior of the ALD-synthesized sample, which resembles that of P25. Our results highlight the detailed level of mechanistic understanding accessible from multiple spectroscopic approaches, which can be readily transferred to other materials and/or reactions."}],"status":"public","type":"journal_article","publication":"ACS Catalysis","extern":"1","language":[{"iso":"eng"}],"_id":"64040","user_id":"100715"},{"volume":127,"date_created":"2026-02-07T15:56:43Z","author":[{"last_name":"Limprasart","full_name":"Limprasart, Waranya","first_name":"Waranya"},{"first_name":"Mark Valentin","last_name":"Höfler","full_name":"Höfler, Mark Valentin"},{"last_name":"Kunzmann","full_name":"Kunzmann, Nico","first_name":"Nico"},{"full_name":"Rösler, Lorenz","last_name":"Rösler","first_name":"Lorenz"},{"first_name":"Kevin","full_name":"Herr, Kevin","last_name":"Herr"},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"}],"date_updated":"2026-02-17T16:15:27Z","publisher":"American Chemical Society","doi":"10.1021/acs.jpcc.3c05068","title":"Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques","issue":"45","publication_identifier":{"issn":["1932-7447"]},"intvolume":"       127","page":"22129–22138","citation":{"apa":"Limprasart, W., Höfler, M. V., Kunzmann, N., Rösler, L., Herr, K., Breitzke, H., &#38; Gutmann, T. (2023). Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques. <i>The Journal of Physical Chemistry C</i>, <i>127</i>(45), 22129–22138. <a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">https://doi.org/10.1021/acs.jpcc.3c05068</a>","short":"W. Limprasart, M.V. Höfler, N. Kunzmann, L. Rösler, K. Herr, H. Breitzke, T. Gutmann, The Journal of Physical Chemistry C 127 (2023) 22129–22138.","mla":"Limprasart, Waranya, et al. “Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques.” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 45, American Chemical Society, 2023, pp. 22129–22138, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">10.1021/acs.jpcc.3c05068</a>.","bibtex":"@article{Limprasart_Höfler_Kunzmann_Rösler_Herr_Breitzke_Gutmann_2023, title={Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques}, volume={127}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">10.1021/acs.jpcc.3c05068</a>}, number={45}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Limprasart, Waranya and Höfler, Mark Valentin and Kunzmann, Nico and Rösler, Lorenz and Herr, Kevin and Breitzke, Hergen and Gutmann, Torsten}, year={2023}, pages={22129–22138} }","ieee":"W. Limprasart <i>et al.</i>, “Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques,” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 45, pp. 22129–22138, 2023, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">10.1021/acs.jpcc.3c05068</a>.","chicago":"Limprasart, Waranya, Mark Valentin Höfler, Nico Kunzmann, Lorenz Rösler, Kevin Herr, Hergen Breitzke, and Torsten Gutmann. “Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques.” <i>The Journal of Physical Chemistry C</i> 127, no. 45 (2023): 22129–22138. <a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">https://doi.org/10.1021/acs.jpcc.3c05068</a>.","ama":"Limprasart W, Höfler MV, Kunzmann N, et al. Peptides as Model Systems for Biofunctionalizations of Cellulose─Synthesis and Structural Characterization by Advanced Solid-State Nuclear Magnetic Resonance Techniques. <i>The Journal of Physical Chemistry C</i>. 2023;127(45):22129–22138. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c05068\">10.1021/acs.jpcc.3c05068</a>"},"year":"2023","user_id":"100715","_id":"64008","extern":"1","language":[{"iso":"eng"}],"publication":"The Journal of Physical Chemistry C","type":"journal_article","status":"public","abstract":[{"lang":"eng","text":"The tailored design of bioactive materials based on cellulose or paper is still a challenging task. It requires detailed knowledge of the structure and interaction of the biofunctionalization with the carrier material at the nanoscale. In this work, the small peptide sequence Acetyl-Pro-Ala-Phe-Gly-OH (peptide 1) that can serve as a model for biofunctionalization is synthesized via solid-phase peptide synthesis, purified, and characterized by high-performance liquid chromatography (HPLC) and mass spectrometry (MS). The as-obtained peptide is bound to microcrystalline cellulose (MCC) via a wet chemical approach. Quantification of the peptide on the MCC carrier is performed by replacing l-proline (Pro) in the peptide sequence by 4-fluoro-l-proline (Pro(19F)) (peptide 2) and applying 19F magic angle spinning nuclear magnetic resonance (MAS NMR). Detailed characterization of the model system is provided by using 1H → 13C cross-polarization magic angle spinning (CP MAS NMR) combined with dynamic nuclear polarization (DNP) to enhance sensitivity. Analysis of the binding of the peptide on MCC necessitates the replacement of l-glycine (Gly) in the sequence by 13C-labeled l-glycine (Gly(13C)) (peptide 3). DNP-enhanced 13C–13C correlation experiments carried out with dipolar assisted rotational resonance (DARR) are then used to analyze the proximity between the model peptide and the MCC carrier. The strength of the dipolar coupling is estimated from the DNP-enhanced 1H → 13C CP MAS double-quantum rotational resonance (DQrotres) experiment. The obtained dipolar coupling between the 13C═O carbon of peptide 3 and the C6 carbon of the cellulose is equal to a carbon–carbon distance of about two C–O bond lengths, which strongly suggests the binding of significant amounts of the peptide on MCC via an ester bond. The tailored design of bioactive materials based on cellulose or paper is still a challenging task. It requires detailed knowledge of the structure and interaction of the biofunctionalization with the carrier material at the nanoscale. In this work, the small peptide sequence Acetyl-Pro-Ala-Phe-Gly-OH (peptide 1) that can serve as a model for biofunctionalization is synthesized via solid-phase peptide synthesis, purified, and characterized by high-performance liquid chromatography (HPLC) and mass spectrometry (MS). The as-obtained peptide is bound to microcrystalline cellulose (MCC) via a wet chemical approach. Quantification of the peptide on the MCC carrier is performed by replacing l-proline (Pro) in the peptide sequence by 4-fluoro-l-proline (Pro(19F)) (peptide 2) and applying 19F magic angle spinning nuclear magnetic resonance (MAS NMR). Detailed characterization of the model system is provided by using 1H → 13C cross-polarization magic angle spinning (CP MAS NMR) combined with dynamic nuclear polarization (DNP) to enhance sensitivity. Analysis of the binding of the peptide on MCC necessitates the replacement of l-glycine (Gly) in the sequence by 13C-labeled l-glycine (Gly(13C)) (peptide 3). DNP-enhanced 13C–13C correlation experiments carried out with dipolar assisted rotational resonance (DARR) are then used to analyze the proximity between the model peptide and the MCC carrier. The strength of the dipolar coupling is estimated from the DNP-enhanced 1H → 13C CP MAS double-quantum rotational resonance (DQrotres) experiment. The obtained dipolar coupling between the 13C═O carbon of peptide 3 and the C6 carbon of the cellulose is equal to a carbon–carbon distance of about two C–O bond lengths, which strongly suggests the binding of significant amounts of the peptide on MCC via an ester bond."}]},{"page":"2200477","citation":{"mla":"Krusenbaum, Annika, et al. “The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach.” <i>Advanced Sustainable Systems</i>, 2023, p. 2200477, doi:<a href=\"https://doi.org/10.1002/adsu.202200477\">10.1002/adsu.202200477</a>.","bibtex":"@article{Krusenbaum_Kraus_Hutsch_Grätz_Höfler_Gutmann_Borchardt_2023, title={The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach}, DOI={<a href=\"https://doi.org/10.1002/adsu.202200477\">10.1002/adsu.202200477</a>}, journal={Advanced Sustainable Systems}, author={Krusenbaum, Annika and Kraus, Fabien Joel Leon and Hutsch, Stefanie and Grätz, Sven and Höfler, Mark Valentin and Gutmann, Torsten and Borchardt, Lars}, year={2023}, pages={2200477} }","short":"A. Krusenbaum, F.J.L. Kraus, S. Hutsch, S. Grätz, M.V. Höfler, T. Gutmann, L. Borchardt, Advanced Sustainable Systems (2023) 2200477.","apa":"Krusenbaum, A., Kraus, F. J. L., Hutsch, S., Grätz, S., Höfler, M. V., Gutmann, T., &#38; Borchardt, L. (2023). The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach. <i>Advanced Sustainable Systems</i>, 2200477. <a href=\"https://doi.org/10.1002/adsu.202200477\">https://doi.org/10.1002/adsu.202200477</a>","chicago":"Krusenbaum, Annika, Fabien Joel Leon Kraus, Stefanie Hutsch, Sven Grätz, Mark Valentin Höfler, Torsten Gutmann, and Lars Borchardt. “The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach.” <i>Advanced Sustainable Systems</i>, 2023, 2200477. <a href=\"https://doi.org/10.1002/adsu.202200477\">https://doi.org/10.1002/adsu.202200477</a>.","ieee":"A. Krusenbaum <i>et al.</i>, “The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach,” <i>Advanced Sustainable Systems</i>, p. 2200477, 2023, doi: <a href=\"https://doi.org/10.1002/adsu.202200477\">10.1002/adsu.202200477</a>.","ama":"Krusenbaum A, Kraus FJL, Hutsch S, et al. The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach. <i>Advanced Sustainable Systems</i>. Published online 2023:2200477. doi:<a href=\"https://doi.org/10.1002/adsu.202200477\">10.1002/adsu.202200477</a>"},"year":"2023","date_created":"2026-02-07T15:51:19Z","author":[{"first_name":"Annika","last_name":"Krusenbaum","full_name":"Krusenbaum, Annika"},{"first_name":"Fabien Joel Leon","full_name":"Kraus, Fabien Joel Leon","last_name":"Kraus"},{"last_name":"Hutsch","full_name":"Hutsch, Stefanie","first_name":"Stefanie"},{"full_name":"Grätz, Sven","last_name":"Grätz","first_name":"Sven"},{"first_name":"Mark Valentin","last_name":"Höfler","full_name":"Höfler, Mark Valentin"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"first_name":"Lars","full_name":"Borchardt, Lars","last_name":"Borchardt"}],"date_updated":"2026-02-17T16:15:58Z","doi":"10.1002/adsu.202200477","title":"The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent-Free Approach","publication":"Advanced Sustainable Systems","type":"journal_article","status":"public","abstract":[{"text":"Abstract The mechanochemical synthesis of porous covalent triazine networks (CTNs), exhibiting theoretically ideal C/N ratios and high specific surface areas, is presented. Employing this solvent-free approach allows to minimize the ecological impact of the synthesis by bypassing hazardous wastes, while simultaneously observing the reactions between the individual starting materials separately for the first time. Especially the role of dichloromethane needs to be reconsidered, functioning as a linker between the nitrogen-containing node cyanuric chloride and the aromatic monomer 1,3,5-triphenylbenzene, as proven by X-ray photoelectron spectroscopy and 1H → 13C Cross-Polarization magic-angle-spinning nuclear magnetic resonance spectroscopy. This results in a drastic enhancement of the reaction rate, reducing the synthesis time down to 1 minute. Additionally, this linkage over a C1 bridge enables the incorporation of nitrogen into already synthesized polymers by post polymerization functionalization. The variation of the synthesis building blocks, namely the linker, node, and monomer, results in a variety of nitrogen-containing polymers with specific surface areas of up to 1500 m2 g−1. Therefore, the presented approach is capable to target the synthesis of various CTNs with a minimal use of chlorinated linker, rendering the concept as a sustainable alternative to the classical solution-based synthesis.","lang":"eng"}],"user_id":"100715","_id":"63998","extern":"1","language":[{"iso":"eng"}]},{"type":"journal_article","publication":"Journal of Solution Chemistry","status":"public","abstract":[{"text":"This study is seeking a better understanding of polyethylene glycol (PEG) as a solvent to promote its use in chemical synthesis. The effect of adding two solutes of interest, 2,2,6,6-tetramethylpiperidinyloxyl (TEMPO) and 5-tert-butylisophthalic acid (5-TBIPA) to PEG200 (average molar weight of 200 g·mol−1) on the solution density, viscosity, and self-diffusion coefficients is monitored in a temperature range of 298.15–358.15 K to deduce how these solutes interact with the PEG200 solvent. The effect of water, the most common impurity in PEGs, is also monitored and found to be nearly negligibly small. Addition of (5-TBIPA) increases solution density and viscosity. Combined with the observation that 5-TBIPA consistently self-diffuses at about half the rate as PEG200 at all investigated experimental conditions, this suggests strong attractive solute–solvent interactions likely through hydrogen bonding interactions. In contrast, addition of TEMPO causes lower solution densities and viscosities suggesting that the solute–solvent interactions of TEMPO lead to an overall weakening of the intermolecular interactions present compared to neat PEG200. Inspection of the viscosity and self-diffusion temperature dependence reveals slight deviations from the Arrhenius equation. Interestingly, the activation energies obtained from the viscosity and the self-diffusion data are essentially identical in values suggesting that the same dynamic processes and thus the same activation barriers govern translational motion and momentum transfer in these PEG200 solutions.","lang":"eng"}],"user_id":"100715","_id":"63984","extern":"1","language":[{"iso":"eng"}],"issue":"6","citation":{"chicago":"Hoffmann, Markus M., Nathaniel P. Randall, Miray H. Apak, Nathaniel A. Paddock, Torsten Gutmann, and Gerd Buntkowsky. “Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient.” <i>Journal of Solution Chemistry</i> 52, no. 6 (2023): 685–707. <a href=\"https://doi.org/10.1007/s10953-023-01265-4\">https://doi.org/10.1007/s10953-023-01265-4</a>.","ieee":"M. M. Hoffmann, N. P. Randall, M. H. Apak, N. A. Paddock, T. Gutmann, and G. Buntkowsky, “Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient,” <i>Journal of Solution Chemistry</i>, vol. 52, no. 6, pp. 685–707, 2023, doi: <a href=\"https://doi.org/10.1007/s10953-023-01265-4\">10.1007/s10953-023-01265-4</a>.","ama":"Hoffmann MM, Randall NP, Apak MH, Paddock NA, Gutmann T, Buntkowsky G. Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient. <i>Journal of Solution Chemistry</i>. 2023;52(6):685–707. doi:<a href=\"https://doi.org/10.1007/s10953-023-01265-4\">10.1007/s10953-023-01265-4</a>","bibtex":"@article{Hoffmann_Randall_Apak_Paddock_Gutmann_Buntkowsky_2023, title={Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient}, volume={52}, DOI={<a href=\"https://doi.org/10.1007/s10953-023-01265-4\">10.1007/s10953-023-01265-4</a>}, number={6}, journal={Journal of Solution Chemistry}, author={Hoffmann, Markus M. and Randall, Nathaniel P. and Apak, Miray H. and Paddock, Nathaniel A. and Gutmann, Torsten and Buntkowsky, Gerd}, year={2023}, pages={685–707} }","mla":"Hoffmann, Markus M., et al. “Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient.” <i>Journal of Solution Chemistry</i>, vol. 52, no. 6, 2023, pp. 685–707, doi:<a href=\"https://doi.org/10.1007/s10953-023-01265-4\">10.1007/s10953-023-01265-4</a>.","short":"M.M. Hoffmann, N.P. Randall, M.H. Apak, N.A. Paddock, T. Gutmann, G. Buntkowsky, Journal of Solution Chemistry 52 (2023) 685–707.","apa":"Hoffmann, M. M., Randall, N. P., Apak, M. H., Paddock, N. A., Gutmann, T., &#38; Buntkowsky, G. (2023). Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient. <i>Journal of Solution Chemistry</i>, <i>52</i>(6), 685–707. <a href=\"https://doi.org/10.1007/s10953-023-01265-4\">https://doi.org/10.1007/s10953-023-01265-4</a>"},"page":"685–707","intvolume":"        52","year":"2023","author":[{"last_name":"Hoffmann","full_name":"Hoffmann, Markus M.","first_name":"Markus M."},{"first_name":"Nathaniel P.","full_name":"Randall, Nathaniel P.","last_name":"Randall"},{"first_name":"Miray H.","last_name":"Apak","full_name":"Apak, Miray H."},{"last_name":"Paddock","full_name":"Paddock, Nathaniel A.","first_name":"Nathaniel A."},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"date_created":"2026-02-07T15:45:09Z","volume":52,"date_updated":"2026-02-17T16:16:51Z","doi":"10.1007/s10953-023-01265-4","title":"Solute–Solvent Interactions of 2,2,6,6-Tetramethylpiperidinyloxyl and 5-Tert-Butylisophthalic Acid in Polyethylene Glycol as Observed by Measurements of Density, Viscosity, and Self-Diffusion Coefficient"},{"user_id":"100715","_id":"63987","language":[{"iso":"eng"}],"extern":"1","publication":"Journal of Physical Chemistry C","type":"journal_article","status":"public","abstract":[{"text":"An efficient approach employing 4-dimethylaminopyridine and 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride as the coupling reagent is presented, which enables the functionalization of cotton linter paper substrates with the 19F spin label N-boc-cis-4-fluoro-l-proline. This spin label can be easily quantified by 19F magic angle spinning (MAS) NMR experiments to determine its loading on paper substrates. During the functionalization, the spin label stays intact, as confirmed by the 1H–19F heterocorrelation (1H → 19F CP MAS FSLG HETCOR) experiments. In combination with dynamic nuclear polarization (19F MAS DNP), the N-boc-cis-4-fluoro-l-proline spin label allows us to inspect 1 μmol/g and even lower molecule loadings on paper substrates, providing a highly sensitive local probe to analyze the structure of biofunctionalizations at the nanoscale on paper substrates in the future. An efficient approach employing 4-dimethylaminopyridine and 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride as the coupling reagent is presented, which enables the functionalization of cotton linter paper substrates with the 19F spin label N-boc-cis-4-fluoro-l-proline. This spin label can be easily quantified by 19F magic angle spinning (MAS) NMR experiments to determine its loading on paper substrates. During the functionalization, the spin label stays intact, as confirmed by the 1H–19F heterocorrelation (1H → 19F CP MAS FSLG HETCOR) experiments. In combination with dynamic nuclear polarization (19F MAS DNP), the N-boc-cis-4-fluoro-l-proline spin label allows us to inspect 1 μmol/g and even lower molecule loadings on paper substrates, providing a highly sensitive local probe to analyze the structure of biofunctionalizations at the nanoscale on paper substrates in the future.","lang":"eng"}],"volume":127,"date_created":"2026-02-07T15:46:14Z","author":[{"first_name":"Mark V.","full_name":"Höfler, Mark V.","last_name":"Höfler"},{"first_name":"Waranya","full_name":"Limprasart, Waranya","last_name":"Limprasart"},{"first_name":"Lorenz","last_name":"Rösler","full_name":"Rösler, Lorenz"},{"first_name":"Max","full_name":"Fleckenstein, Max","last_name":"Fleckenstein"},{"first_name":"Martin","last_name":"Brodrecht","full_name":"Brodrecht, Martin"},{"first_name":"Kevin","last_name":"Herr","full_name":"Herr, Kevin"},{"first_name":"Jan-Lukas","last_name":"Schäfer","full_name":"Schäfer, Jan-Lukas"},{"full_name":"Biesalski, Markus","last_name":"Biesalski","first_name":"Markus"},{"full_name":"Breitzke, Hergen","last_name":"Breitzke","first_name":"Hergen"},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"}],"publisher":"American Chemical Society","date_updated":"2026-02-17T16:16:46Z","title":"Fluorine-Labeled N-Boc-l-proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates","issue":"7","publication_identifier":{"issn":["1932-7447"]},"intvolume":"       127","page":"3570–3578","citation":{"apa":"Höfler, M. V., Limprasart, W., Rösler, L., Fleckenstein, M., Brodrecht, M., Herr, K., Schäfer, J.-L., Biesalski, M., Breitzke, H., &#38; Gutmann, T. (2023). Fluorine-Labeled N-Boc-l-proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates. <i>Journal of Physical Chemistry C</i>, <i>127</i>(7), 3570–3578.","short":"M.V. Höfler, W. Limprasart, L. Rösler, M. Fleckenstein, M. Brodrecht, K. Herr, J.-L. Schäfer, M. Biesalski, H. Breitzke, T. Gutmann, Journal of Physical Chemistry C 127 (2023) 3570–3578.","mla":"Höfler, Mark V., et al. “Fluorine-Labeled N-Boc-l-Proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates.” <i>Journal of Physical Chemistry C</i>, vol. 127, no. 7, American Chemical Society, 2023, pp. 3570–3578.","bibtex":"@article{Höfler_Limprasart_Rösler_Fleckenstein_Brodrecht_Herr_Schäfer_Biesalski_Breitzke_Gutmann_2023, title={Fluorine-Labeled N-Boc-l-proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates}, volume={127}, number={7}, journal={Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Höfler, Mark V. and Limprasart, Waranya and Rösler, Lorenz and Fleckenstein, Max and Brodrecht, Martin and Herr, Kevin and Schäfer, Jan-Lukas and Biesalski, Markus and Breitzke, Hergen and Gutmann, Torsten}, year={2023}, pages={3570–3578} }","chicago":"Höfler, Mark V., Waranya Limprasart, Lorenz Rösler, Max Fleckenstein, Martin Brodrecht, Kevin Herr, Jan-Lukas Schäfer, Markus Biesalski, Hergen Breitzke, and Torsten Gutmann. “Fluorine-Labeled N-Boc-l-Proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates.” <i>Journal of Physical Chemistry C</i> 127, no. 7 (2023): 3570–3578.","ieee":"M. V. Höfler <i>et al.</i>, “Fluorine-Labeled N-Boc-l-proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates,” <i>Journal of Physical Chemistry C</i>, vol. 127, no. 7, pp. 3570–3578, 2023.","ama":"Höfler MV, Limprasart W, Rösler L, et al. Fluorine-Labeled N-Boc-l-proline as a Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates. <i>Journal of Physical Chemistry C</i>. 2023;127(7):3570–3578."},"year":"2023"},{"author":[{"first_name":"Nadia B.","last_name":"Haro Mares","full_name":"Haro Mares, Nadia B."},{"last_name":"Brodrecht","full_name":"Brodrecht, Martin","first_name":"Martin"},{"first_name":"Till","full_name":"Wissel, Till","last_name":"Wissel"},{"last_name":"Döller","full_name":"Döller, Sonja C.","first_name":"Sonja C."},{"full_name":"Rösler, Lorenz","last_name":"Rösler","first_name":"Lorenz"},{"first_name":"Hergen","full_name":"Breitzke, Hergen","last_name":"Breitzke"},{"first_name":"Markus M.","full_name":"Hoffmann, Markus M.","last_name":"Hoffmann"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"date_created":"2026-02-07T15:40:57Z","volume":127,"publisher":"American Chemical Society","date_updated":"2026-02-17T16:17:28Z","doi":"10.1021/acs.jpcc.3c03671","title":"Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR","issue":"39","publication_identifier":{"issn":["1932-7447"]},"citation":{"chicago":"Haro Mares, Nadia B., Martin Brodrecht, Till Wissel, Sonja C. Döller, Lorenz Rösler, Hergen Breitzke, Markus M. Hoffmann, Torsten Gutmann, and Gerd Buntkowsky. “Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR.” <i>The Journal of Physical Chemistry C</i> 127, no. 39 (2023): 19735–19746. <a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">https://doi.org/10.1021/acs.jpcc.3c03671</a>.","ieee":"N. B. Haro Mares <i>et al.</i>, “Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR,” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 39, pp. 19735–19746, 2023, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">10.1021/acs.jpcc.3c03671</a>.","ama":"Haro Mares NB, Brodrecht M, Wissel T, et al. Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR. <i>The Journal of Physical Chemistry C</i>. 2023;127(39):19735–19746. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">10.1021/acs.jpcc.3c03671</a>","bibtex":"@article{Haro Mares_Brodrecht_Wissel_Döller_Rösler_Breitzke_Hoffmann_Gutmann_Buntkowsky_2023, title={Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR}, volume={127}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">10.1021/acs.jpcc.3c03671</a>}, number={39}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Haro Mares, Nadia B. and Brodrecht, Martin and Wissel, Till and Döller, Sonja C. and Rösler, Lorenz and Breitzke, Hergen and Hoffmann, Markus M. and Gutmann, Torsten and Buntkowsky, Gerd}, year={2023}, pages={19735–19746} }","short":"N.B. Haro Mares, M. Brodrecht, T. Wissel, S.C. Döller, L. Rösler, H. Breitzke, M.M. Hoffmann, T. Gutmann, G. Buntkowsky, The Journal of Physical Chemistry C 127 (2023) 19735–19746.","mla":"Haro Mares, Nadia B., et al. “Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR.” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 39, American Chemical Society, 2023, pp. 19735–19746, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">10.1021/acs.jpcc.3c03671</a>.","apa":"Haro Mares, N. B., Brodrecht, M., Wissel, T., Döller, S. C., Rösler, L., Breitzke, H., Hoffmann, M. M., Gutmann, T., &#38; Buntkowsky, G. (2023). Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules─Insights from Variable Temperature 2H Solid-State NMR. <i>The Journal of Physical Chemistry C</i>, <i>127</i>(39), 19735–19746. <a href=\"https://doi.org/10.1021/acs.jpcc.3c03671\">https://doi.org/10.1021/acs.jpcc.3c03671</a>"},"intvolume":"       127","page":"19735–19746","year":"2023","user_id":"100715","_id":"63971","extern":"1","language":[{"iso":"eng"}],"type":"journal_article","publication":"The Journal of Physical Chemistry C","status":"public","abstract":[{"text":"The physicochemical effects of decorating pore walls of high surface area materials with functional groups are not sufficiently understood, despite the use of these materials in a multitude of applications such as catalysis, separations, or drug delivery. In this study, the influence of 3-amino-propyl triethoxysilane (APTES)-modified SBA-15 on the dynamics of deuterated ethylene glycol (EG-d4) is inspected by comparing three systems: EG-d4 in the bulk phase (sample 1), EG-d4 confined in SBA-15 (sample 2), and EG-d4 confined in SBA-15 modified with APTES (sample 3). The phase behavior (i.e., melting, crystallization, glass formation, etc.) of EG-d4 in these three systems is studied by differential scanning calorimetry. Through line shape analysis of the 2H solid-state NMR (2H ssNMR) spectra of the three systems recorded at different temperatures, two signal patterns, (i) a Lorentzian (liquid-like) and (ii) a Pake pattern (solid-like), are identified from which the distribution of activation energies for the dynamic processes is calculated employing a two-phase model. The physicochemical effects of decorating pore walls of high surface area materials with functional groups are not sufficiently understood, despite the use of these materials in a multitude of applications such as catalysis, separations, or drug delivery. In this study, the influence of 3-amino-propyl triethoxysilane (APTES)-modified SBA-15 on the dynamics of deuterated ethylene glycol (EG-d4) is inspected by comparing three systems: EG-d4 in the bulk phase (sample 1), EG-d4 confined in SBA-15 (sample 2), and EG-d4 confined in SBA-15 modified with APTES (sample 3). The phase behavior (i.e., melting, crystallization, glass formation, etc.) of EG-d4 in these three systems is studied by differential scanning calorimetry. Through line shape analysis of the 2H solid-state NMR (2H ssNMR) spectra of the three systems recorded at different temperatures, two signal patterns, (i) a Lorentzian (liquid-like) and (ii) a Pake pattern (solid-like), are identified from which the distribution of activation energies for the dynamic processes is calculated employing a two-phase model.","lang":"eng"}]},{"_id":"63946","user_id":"100715","extern":"1","language":[{"iso":"eng"}],"publication":"The Journal of Physical Chemistry C","type":"journal_article","abstract":[{"text":"Two different mesoporous silica materials (SBA-15 and MCM 41) were impregnated with four different, commercially available surfactants, namely, E5, PEG 200, C10E6, and Triton X-100. Differential scanning calorimetry was employed to confirm the confinement of the surfactants in the pores of their host materials. Dynamic nuclear polarization enhanced solid state 13C magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were recorded for these materials, showing that both the direct as well as the indirect polarization transfer pathways are active for the carbons of the polyethylene glycol moieties of the surfactants. The presence of the indirect polarization pathway implies the presence of molecular motion with correlation times faster than the inverse Larmor frequency of the observed signals. The intensities of the signals were determined, and an approach based on relative intensities was employed to ensure comparability throughout the samples. From these data, the interactions of the surfactants with the pore walls could be determined. Additionally, a model describing the surfactants’ arrangement in the pores was developed. It was concluded that all carbons of the hydrophilic surfactants, E5 and PEG 200, interact with the silica walls in a similar fashion, leading to similar polarization transfer pathway patterns for all observed signals. For the amphiphilic surfactants C10E6 and Triton X-100, the terminal hydroxyl group mediates the majority of the interactions with the pore walls and the polarizing agent. Two different mesoporous silica materials (SBA-15 and MCM 41) were impregnated with four different, commercially available surfactants, namely, E5, PEG 200, C10E6, and Triton X-100. Differential scanning calorimetry was employed to confirm the confinement of the surfactants in the pores of their host materials. Dynamic nuclear polarization enhanced solid state 13C magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra were recorded for these materials, showing that both the direct as well as the indirect polarization transfer pathways are active for the carbons of the polyethylene glycol moieties of the surfactants. The presence of the indirect polarization pathway implies the presence of molecular motion with correlation times faster than the inverse Larmor frequency of the observed signals. The intensities of the signals were determined, and an approach based on relative intensities was employed to ensure comparability throughout the samples. From these data, the interactions of the surfactants with the pore walls could be determined. Additionally, a model describing the surfactants’ arrangement in the pores was developed. It was concluded that all carbons of the hydrophilic surfactants, E5 and PEG 200, interact with the silica walls in a similar fashion, leading to similar polarization transfer pathway patterns for all observed signals. For the amphiphilic surfactants C10E6 and Triton X-100, the terminal hydroxyl group mediates the majority of the interactions with the pore walls and the polarizing agent.","lang":"eng"}],"status":"public","publisher":"American Chemical Society","date_updated":"2026-02-17T16:18:30Z","volume":127,"date_created":"2026-02-07T09:12:13Z","author":[{"last_name":"Döller","full_name":"Döller, Sonja C.","first_name":"Sonja C."},{"full_name":"Brodrecht, Martin","last_name":"Brodrecht","first_name":"Martin"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"first_name":"Markus","last_name":"Hoffmann","full_name":"Hoffmann, Markus"},{"full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky","first_name":"Gerd"}],"title":"Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material","doi":"10.1021/acs.jpcc.3c01946","publication_identifier":{"issn":["1932-7447"]},"issue":"25","year":"2023","page":"12125–12134","intvolume":"       127","citation":{"apa":"Döller, S. C., Brodrecht, M., Gutmann, T., Hoffmann, M., &#38; Buntkowsky, G. (2023). Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material. <i>The Journal of Physical Chemistry C</i>, <i>127</i>(25), 12125–12134. <a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">https://doi.org/10.1021/acs.jpcc.3c01946</a>","short":"S.C. Döller, M. Brodrecht, T. Gutmann, M. Hoffmann, G. Buntkowsky, The Journal of Physical Chemistry C 127 (2023) 12125–12134.","mla":"Döller, Sonja C., et al. “Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material.” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 25, American Chemical Society, 2023, pp. 12125–12134, doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">10.1021/acs.jpcc.3c01946</a>.","bibtex":"@article{Döller_Brodrecht_Gutmann_Hoffmann_Buntkowsky_2023, title={Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material}, volume={127}, DOI={<a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">10.1021/acs.jpcc.3c01946</a>}, number={25}, journal={The Journal of Physical Chemistry C}, publisher={American Chemical Society}, author={Döller, Sonja C. and Brodrecht, Martin and Gutmann, Torsten and Hoffmann, Markus and Buntkowsky, Gerd}, year={2023}, pages={12125–12134} }","ama":"Döller SC, Brodrecht M, Gutmann T, Hoffmann M, Buntkowsky G. Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material. <i>The Journal of Physical Chemistry C</i>. 2023;127(25):12125–12134. doi:<a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">10.1021/acs.jpcc.3c01946</a>","ieee":"S. C. Döller, M. Brodrecht, T. Gutmann, M. Hoffmann, and G. Buntkowsky, “Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material,” <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 25, pp. 12125–12134, 2023, doi: <a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">10.1021/acs.jpcc.3c01946</a>.","chicago":"Döller, Sonja C., Martin Brodrecht, Torsten Gutmann, Markus Hoffmann, and Gerd Buntkowsky. “Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with Their Mesoporous Host Material.” <i>The Journal of Physical Chemistry C</i> 127, no. 25 (2023): 12125–12134. <a href=\"https://doi.org/10.1021/acs.jpcc.3c01946\">https://doi.org/10.1021/acs.jpcc.3c01946</a>."}},{"publication_identifier":{"issn":["1420-3049"]},"issue":"4","year":"2023","page":"1926","intvolume":"        28","citation":{"bibtex":"@article{Asanbaeva_Dobrynin_Morozov_Haro-Mares_Gutmann_Buntkowsky_Bagryanskaya_2023, title={An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields}, volume={28}, DOI={<a href=\"https://doi.org/10.3390/molecules28041926\">10.3390/molecules28041926</a>}, number={4}, journal={Molecules}, author={Asanbaeva, Nargiz B. and Dobrynin, Sergey A. and Morozov, Denis A. and Haro-Mares, Nadia and Gutmann, Torsten and Buntkowsky, Gerd and Bagryanskaya, Elena G.}, year={2023}, pages={1926} }","mla":"Asanbaeva, Nargiz B., et al. “An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields.” <i>Molecules</i>, vol. 28, no. 4, 2023, p. 1926, doi:<a href=\"https://doi.org/10.3390/molecules28041926\">10.3390/molecules28041926</a>.","short":"N.B. Asanbaeva, S.A. Dobrynin, D.A. Morozov, N. Haro-Mares, T. Gutmann, G. Buntkowsky, E.G. Bagryanskaya, Molecules 28 (2023) 1926.","apa":"Asanbaeva, N. B., Dobrynin, S. A., Morozov, D. A., Haro-Mares, N., Gutmann, T., Buntkowsky, G., &#38; Bagryanskaya, E. G. (2023). An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields. <i>Molecules</i>, <i>28</i>(4), 1926. <a href=\"https://doi.org/10.3390/molecules28041926\">https://doi.org/10.3390/molecules28041926</a>","ama":"Asanbaeva NB, Dobrynin SA, Morozov DA, et al. An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields. <i>Molecules</i>. 2023;28(4):1926. doi:<a href=\"https://doi.org/10.3390/molecules28041926\">10.3390/molecules28041926</a>","chicago":"Asanbaeva, Nargiz B., Sergey A. Dobrynin, Denis A. Morozov, Nadia Haro-Mares, Torsten Gutmann, Gerd Buntkowsky, and Elena G. Bagryanskaya. “An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields.” <i>Molecules</i> 28, no. 4 (2023): 1926. <a href=\"https://doi.org/10.3390/molecules28041926\">https://doi.org/10.3390/molecules28041926</a>.","ieee":"N. B. Asanbaeva <i>et al.</i>, “An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields,” <i>Molecules</i>, vol. 28, no. 4, p. 1926, 2023, doi: <a href=\"https://doi.org/10.3390/molecules28041926\">10.3390/molecules28041926</a>."},"date_updated":"2026-02-20T08:12:12Z","volume":28,"author":[{"first_name":"Nargiz B.","full_name":"Asanbaeva, Nargiz B.","last_name":"Asanbaeva"},{"full_name":"Dobrynin, Sergey A.","last_name":"Dobrynin","first_name":"Sergey A."},{"first_name":"Denis A.","full_name":"Morozov, Denis A.","last_name":"Morozov"},{"full_name":"Haro-Mares, Nadia","last_name":"Haro-Mares","first_name":"Nadia"},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"},{"full_name":"Bagryanskaya, Elena G.","last_name":"Bagryanskaya","first_name":"Elena G."}],"date_created":"2026-02-07T08:57:19Z","title":"An EPR Study on Highly Stable Nitroxyl-Nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields","doi":"10.3390/molecules28041926","publication":"Molecules","type":"journal_article","status":"public","_id":"63922","user_id":"100715","extern":"1","language":[{"iso":"eng"}]},{"year":"2022","intvolume":"         5","page":"e202200066","citation":{"apa":"Sic, E., Melzi d’Eril, M., Schutjajew, K., Graczyk-Zajac, M. J., Breitzke, H., Riedel, R., Oschatz, M., Gutmann, T., &#38; Buntkowsky, G. (2022). SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR. <i>Batteries and Supercaps</i>, <i>5</i>, e202200066. <a href=\"https://doi.org/10.1002/batt.202200066\">https://doi.org/10.1002/batt.202200066</a>","mla":"Sic, Edina, et al. “SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR.” <i>Batteries and Supercaps</i>, vol. 5, 2022, p. e202200066, doi:<a href=\"https://doi.org/10.1002/batt.202200066\">10.1002/batt.202200066</a>.","short":"E. Sic, M. Melzi d’Eril, K. Schutjajew, M.J. Graczyk-Zajac, H. Breitzke, R. Riedel, M. Oschatz, T. Gutmann, G. Buntkowsky, Batteries and Supercaps 5 (2022) e202200066.","bibtex":"@article{Sic_Melzi d’Eril_Schutjajew_Graczyk-Zajac_Breitzke_Riedel_Oschatz_Gutmann_Buntkowsky_2022, title={SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR}, volume={5}, DOI={<a href=\"https://doi.org/10.1002/batt.202200066\">10.1002/batt.202200066</a>}, journal={Batteries and Supercaps}, author={Sic, Edina and Melzi d’Eril, Marco and Schutjajew, Konstantin and Graczyk-Zajac, Magdalena J. and Breitzke, Hergen and Riedel, Ralf and Oschatz, Martin and Gutmann, Torsten and Buntkowsky, Gerd}, year={2022}, pages={e202200066} }","ieee":"E. Sic <i>et al.</i>, “SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR,” <i>Batteries and Supercaps</i>, vol. 5, p. e202200066, 2022, doi: <a href=\"https://doi.org/10.1002/batt.202200066\">10.1002/batt.202200066</a>.","chicago":"Sic, Edina, Marco Melzi d’Eril, Konstantin Schutjajew, Magdalena J. Graczyk-Zajac, Hergen Breitzke, Ralf Riedel, Martin Oschatz, Torsten Gutmann, and Gerd Buntkowsky. “SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR.” <i>Batteries and Supercaps</i> 5 (2022): e202200066. <a href=\"https://doi.org/10.1002/batt.202200066\">https://doi.org/10.1002/batt.202200066</a>.","ama":"Sic E, Melzi d’Eril M, Schutjajew K, et al. SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR. <i>Batteries and Supercaps</i>. 2022;5:e202200066. doi:<a href=\"https://doi.org/10.1002/batt.202200066\">10.1002/batt.202200066</a>"},"title":"SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells Insights from 23Na In-Situ Solid-State NMR","doi":"10.1002/batt.202200066","date_updated":"2026-02-17T16:13:15Z","volume":5,"author":[{"full_name":"Sic, Edina","last_name":"Sic","first_name":"Edina"},{"last_name":"Melzi d’Eril","full_name":"Melzi d’Eril, Marco","first_name":"Marco"},{"first_name":"Konstantin","last_name":"Schutjajew","full_name":"Schutjajew, Konstantin"},{"full_name":"Graczyk-Zajac, Magdalena J.","last_name":"Graczyk-Zajac","first_name":"Magdalena J."},{"last_name":"Breitzke","full_name":"Breitzke, Hergen","first_name":"Hergen"},{"first_name":"Ralf","full_name":"Riedel, Ralf","last_name":"Riedel"},{"first_name":"Martin","full_name":"Oschatz, Martin","last_name":"Oschatz"},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"first_name":"Gerd","full_name":"Buntkowsky, Gerd","last_name":"Buntkowsky"}],"date_created":"2026-02-07T16:10:25Z","abstract":[{"text":"Abstract Polymer-derived silicon carbonitride ceramic (SiCN) is used as an electrode material to prepare cylindrical sodium/sodium ion cells for solid-state NMR investigations. During galvanostatic cycling structural changes of the environment of sodium/sodium ions are investigated by applying 23Na in-situ solid-state NMR. Changes of the signals assigned to sodium metal, intercalated sodium cation and sodium cation originating from the electrolyte are monitored as well as the occurrence of an additional signal in the region of metallic sodium. The intensity of this additional signal changes periodically with the cycling process indicating the reversibility of structures formed and deformed during the galvanostatic cycling. To identify interactions of sodium/sodium ions with the SiCN electrode materials, the cycled SiCN material is studied by 23Na ex-situ MAS NMR at high spinning rates of 20 and 50 kHz to obtain appropriate spectral resolution.","lang":"eng"}],"status":"public","publication":"Batteries and Supercaps","type":"journal_article","extern":"1","language":[{"iso":"eng"}],"_id":"64042","user_id":"100715"},{"title":"Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions","doi":"10.1007/s10570-022-04654-y","date_updated":"2026-02-17T16:13:54Z","author":[{"full_name":"Roesler, L.","last_name":"Roesler","first_name":"L."},{"first_name":"M. V.","full_name":"Hoefler, M. V.","last_name":"Hoefler"},{"first_name":"H.","full_name":"Breitzke, H.","last_name":"Breitzke"},{"first_name":"T.","full_name":"Wissel, T.","last_name":"Wissel"},{"first_name":"K.","last_name":"Herr","full_name":"Herr, K."},{"last_name":"Heise","full_name":"Heise, H.","first_name":"H."},{"last_name":"Gutmann","full_name":"Gutmann, Torsten","id":"118165","first_name":"Torsten"},{"full_name":"Buntkowsky, G.","last_name":"Buntkowsky","first_name":"G."}],"date_created":"2026-02-07T16:06:07Z","volume":29,"year":"2022","citation":{"ama":"Roesler L, Hoefler MV, Breitzke H, et al. Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions. <i>Cellulose</i>. 2022;29(11):6283–6299. doi:<a href=\"https://doi.org/10.1007/s10570-022-04654-y\">10.1007/s10570-022-04654-y</a>","ieee":"L. Roesler <i>et al.</i>, “Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions,” <i>Cellulose</i>, vol. 29, no. 11, pp. 6283–6299, 2022, doi: <a href=\"https://doi.org/10.1007/s10570-022-04654-y\">10.1007/s10570-022-04654-y</a>.","chicago":"Roesler, L., M. V. Hoefler, H. Breitzke, T. Wissel, K. Herr, H. Heise, Torsten Gutmann, and G. Buntkowsky. “Dirhodium Complex Immobilization on Modified Cellulose for Highly Selective Heterogeneous Cyclopropanation Reactions.” <i>Cellulose</i> 29, no. 11 (2022): 6283–6299. <a href=\"https://doi.org/10.1007/s10570-022-04654-y\">https://doi.org/10.1007/s10570-022-04654-y</a>.","mla":"Roesler, L., et al. “Dirhodium Complex Immobilization on Modified Cellulose for Highly Selective Heterogeneous Cyclopropanation Reactions.” <i>Cellulose</i>, vol. 29, no. 11, 2022, pp. 6283–6299, doi:<a href=\"https://doi.org/10.1007/s10570-022-04654-y\">10.1007/s10570-022-04654-y</a>.","short":"L. Roesler, M.V. Hoefler, H. Breitzke, T. Wissel, K. Herr, H. Heise, T. Gutmann, G. Buntkowsky, Cellulose 29 (2022) 6283–6299.","bibtex":"@article{Roesler_Hoefler_Breitzke_Wissel_Herr_Heise_Gutmann_Buntkowsky_2022, title={Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions}, volume={29}, DOI={<a href=\"https://doi.org/10.1007/s10570-022-04654-y\">10.1007/s10570-022-04654-y</a>}, number={11}, journal={Cellulose}, author={Roesler, L. and Hoefler, M. V. and Breitzke, H. and Wissel, T. and Herr, K. and Heise, H. and Gutmann, Torsten and Buntkowsky, G.}, year={2022}, pages={6283–6299} }","apa":"Roesler, L., Hoefler, M. V., Breitzke, H., Wissel, T., Herr, K., Heise, H., Gutmann, T., &#38; Buntkowsky, G. (2022). Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions. <i>Cellulose</i>, <i>29</i>(11), 6283–6299. <a href=\"https://doi.org/10.1007/s10570-022-04654-y\">https://doi.org/10.1007/s10570-022-04654-y</a>"},"intvolume":"        29","page":"6283–6299","publication_identifier":{"issn":["0969-0239"]},"issue":"11","language":[{"iso":"eng"}],"extern":"1","_id":"64030","user_id":"100715","abstract":[{"text":"A novel, efficient approach for the functionalization of microcrystalline cellulose (MCC) is presented. The as-obtained material allows the immobilization of chiral dirhodium catalysts preserving their enantioselectivity in asymmetric cyclopropanation reactions. As model, microcrystalline cellulose is modified with a polyethylene glycol derived linker, and Rh-2(S-DOSP)(4) is grafted on the material to produce a heterogeneous catalyst. SEM images at different stages of the immobilization show an unchanging uniform morphology, providing constantly good separation characteristics. The modification of the cellulose material with the polyethylene derived linker and the immobilization process are monitored using DNP enhanced H-1 -{\\textgreater} C-13 CP MAS NMR, quantitative F-19 MAS NMR, TGA and ICP-OES analysis, confirming the success of the immobilization as well as the stability of bonds between the used linker molecule and the cellulose material. Finally, the evaluation of the produced catalyst is demonstrated in the asymmetric cyclopropanation reaction between styrene and methyl(E)-2-diazo-4-phenylbut-3-enoate showing excellent enantioselectivity with an ee of nearly 90% over a wide temperature range as well as good recyclability characteristics in four consecutive catalysis cycles.","lang":"eng"}],"status":"public","type":"journal_article","publication":"Cellulose"},{"abstract":[{"text":"Six cluster salts which consist of hexanuclear cluster anions [Nb6Cl12iX6a]2– (X = Cl or Br) and protonated crown ether molecules (15-crown-5 (15cr5) and 12-crown-4 (12cr4)) or crown ether-stabilized oxonium cations as well as one compound consisting of neutral cluster units, [Nb6Cl16(H2O)2]·4 dioxane, were synthesized in good to high yields. The single-crystal X-ray structures of six of these compounds were determined. The cation/anion ratios and the bond distances confirm in all cases oxidized cluster cores with 14 cluster-based electrons. The cations of the cluster salts are either sandwich-type dimers of the formula [(15cr5)H]22+ or [(15cr5)(H3O)]22+ with the protons or oxonium ions embedded in between the crown ether rings or monomeric units in the case of [(12cr4)H]+. 1H NMR investigations show that the cluster salts are strong Brønsted acids. The fact that the cluster core of [Nb6Cl16(H2O)2]·4 dioxane is oxidized but still carries water ligands indicates that within the multi-step reaction sequence of the formation of the cluster-supported acids, the oxidation step happens much faster than the ligand exchange steps. Temperature-dependent 2H MAS NMR spectra of deuterium-exchanged [(15cr5)H]2[Nb6Cl18]·2 CHCl3 are indicative of dynamic processes of the hydrogen-bonded protons within the crown ether molecule. Six cluster salts which consist of hexanuclear cluster anions [Nb6Cl12iX6a]2– (X = Cl or Br) and protonated crown ether molecules (15-crown-5 (15cr5) and 12-crown-4 (12cr4)) or crown ether-stabilized oxonium cations as well as one compound consisting of neutral cluster units, [Nb6Cl16(H2O)2]·4 dioxane, were synthesized in good to high yields. The single-crystal X-ray structures of six of these compounds were determined. The cation/anion ratios and the bond distances confirm in all cases oxidized cluster cores with 14 cluster-based electrons. The cations of the cluster salts are either sandwich-type dimers of the formula [(15cr5)H]22+ or [(15cr5)(H3O)]22+ with the protons or oxonium ions embedded in between the crown ether rings or monomeric units in the case of [(12cr4)H]+. 1H NMR investigations show that the cluster salts are strong Brønsted acids. The fact that the cluster core of [Nb6Cl16(H2O)2]·4 dioxane is oxidized but still carries water ligands indicates that within the multi-step reaction sequence of the formation of the cluster-supported acids, the oxidation step happens much faster than the ligand exchange steps. Temperature-dependent 2H MAS NMR spectra of deuterium-exchanged [(15cr5)H]2[Nb6Cl18]·2 CHCl3 are indicative of dynamic processes of the hydrogen-bonded protons within the crown ether molecule.","lang":"eng"}],"status":"public","publication":"Inorganic Chemistry","type":"journal_article","language":[{"iso":"eng"}],"extern":"1","_id":"63994","user_id":"100715","year":"2022","page":"15983–15990","intvolume":"        61","citation":{"apa":"Koenig, J., Gutmann, T., Buntkowsky, G., &#38; Koeckerling, M. (2022). Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 dioxane. <i>Inorganic Chemistry</i>, <i>61</i>(40), 15983–15990.","mla":"Koenig, Jonas, et al. “Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 Dioxane.” <i>Inorganic Chemistry</i>, vol. 61, no. 40, American Chemical Society, 2022, pp. 15983–15990.","short":"J. Koenig, T. Gutmann, G. Buntkowsky, M. Koeckerling, Inorganic Chemistry 61 (2022) 15983–15990.","bibtex":"@article{Koenig_Gutmann_Buntkowsky_Koeckerling_2022, title={Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 dioxane}, volume={61}, number={40}, journal={Inorganic Chemistry}, publisher={American Chemical Society}, author={Koenig, Jonas and Gutmann, Torsten and Buntkowsky, Gerd and Koeckerling, Martin}, year={2022}, pages={15983–15990} }","ama":"Koenig J, Gutmann T, Buntkowsky G, Koeckerling M. Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 dioxane. <i>Inorganic Chemistry</i>. 2022;61(40):15983–15990.","ieee":"J. Koenig, T. Gutmann, G. Buntkowsky, and M. Koeckerling, “Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 dioxane,” <i>Inorganic Chemistry</i>, vol. 61, no. 40, pp. 15983–15990, 2022.","chicago":"Koenig, Jonas, Torsten Gutmann, Gerd Buntkowsky, and Martin Koeckerling. “Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 Dioxane.” <i>Inorganic Chemistry</i> 61, no. 40 (2022): 15983–15990."},"issue":"40","title":"Strong Cluster-Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cl12iX6a] (X = Cl or Br) and the Intermediate [Nb6Cl16(H2O)2]·4 dioxane","date_updated":"2026-02-17T16:16:07Z","publisher":"American Chemical Society","volume":61,"date_created":"2026-02-07T15:48:14Z","author":[{"last_name":"Koenig","full_name":"Koenig, Jonas","first_name":"Jonas"},{"last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten","first_name":"Torsten"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"},{"first_name":"Martin","last_name":"Koeckerling","full_name":"Koeckerling, Martin"}]},{"publication":"Journal of Polymer Science","type":"journal_article","status":"public","abstract":[{"text":"Abstract Herein we report the mechanochemical Friedel-Crafts alkylation of 1,3,5-triphenylbenzene (TPB) with two organochloride cross-linking agents, dichloromethane (DCM) and chloroform (CHCl3), respectively. During a thorough milling parameter evaluation, the DCM-linked polymers were found to be flexible and extremely sensitive toward parameter changes, which even enables the synthesis of a polymer with a SSABET of 1670 m2/g, on par with the solution-based reference. Contrary, CHCl3-linked polymers are exhibiting a rigid structure, with a high porosity that is widely unaffected by parameter changes. As a result, a polymer with a SSABET of 1280 m2/g could be generated in as little as 30 minutes, outperforming the reported literature analogue in terms of synthesis time and SSABET. To underline the environmental benefits of our fast and solvent-free synthesis approach, the green metrics are discussed, revealing an enhancement of the mass intensity, mass productivity and the E-factor, as well as of synthesis time and the work-up in comparison to the classical synthesis. Therefore, the mechanochemical polymerization is presented as a versatile tool, enabling the generation of highly porous polymers within short reaction times, with a minimal use of chlorinated cross-linker and with the possibility of a post polymerization modification.","lang":"eng"}],"user_id":"100715","_id":"63997","extern":"1","language":[{"iso":"eng"}],"issue":"1","intvolume":"        60","page":"62–71","citation":{"ieee":"A. Krusenbaum <i>et al.</i>, “The mechanochemical Friedel-Crafts polymerization as a solvent-free cross-linking approach toward microporous polymers,” <i>Journal of Polymer Science</i>, vol. 60, no. 1, pp. 62–71, 2022, doi: <a href=\"https://doi.org/10.1002/pol.20210606\">10.1002/pol.20210606</a>.","chicago":"Krusenbaum, Annika, Jonathan Geisler, Fabien Joel Leon Kraus, Sven Grätz, Mark Valentin Höfler, Torsten Gutmann, and Lars Borchardt. “The Mechanochemical Friedel-Crafts Polymerization as a Solvent-Free Cross-Linking Approach toward Microporous Polymers.” <i>Journal of Polymer Science</i> 60, no. 1 (2022): 62–71. <a href=\"https://doi.org/10.1002/pol.20210606\">https://doi.org/10.1002/pol.20210606</a>.","ama":"Krusenbaum A, Geisler J, Kraus FJL, et al. The mechanochemical Friedel-Crafts polymerization as a solvent-free cross-linking approach toward microporous polymers. <i>Journal of Polymer Science</i>. 2022;60(1):62–71. doi:<a href=\"https://doi.org/10.1002/pol.20210606\">10.1002/pol.20210606</a>","apa":"Krusenbaum, A., Geisler, J., Kraus, F. J. L., Grätz, S., Höfler, M. V., Gutmann, T., &#38; Borchardt, L. (2022). The mechanochemical Friedel-Crafts polymerization as a solvent-free cross-linking approach toward microporous polymers. <i>Journal of Polymer Science</i>, <i>60</i>(1), 62–71. <a href=\"https://doi.org/10.1002/pol.20210606\">https://doi.org/10.1002/pol.20210606</a>","mla":"Krusenbaum, Annika, et al. “The Mechanochemical Friedel-Crafts Polymerization as a Solvent-Free Cross-Linking Approach toward Microporous Polymers.” <i>Journal of Polymer Science</i>, vol. 60, no. 1, 2022, pp. 62–71, doi:<a href=\"https://doi.org/10.1002/pol.20210606\">10.1002/pol.20210606</a>.","bibtex":"@article{Krusenbaum_Geisler_Kraus_Grätz_Höfler_Gutmann_Borchardt_2022, title={The mechanochemical Friedel-Crafts polymerization as a solvent-free cross-linking approach toward microporous polymers}, volume={60}, DOI={<a href=\"https://doi.org/10.1002/pol.20210606\">10.1002/pol.20210606</a>}, number={1}, journal={Journal of Polymer Science}, author={Krusenbaum, Annika and Geisler, Jonathan and Kraus, Fabien Joel Leon and Grätz, Sven and Höfler, Mark Valentin and Gutmann, Torsten and Borchardt, Lars}, year={2022}, pages={62–71} }","short":"A. Krusenbaum, J. Geisler, F.J.L. Kraus, S. Grätz, M.V. Höfler, T. Gutmann, L. Borchardt, Journal of Polymer Science 60 (2022) 62–71."},"year":"2022","volume":60,"author":[{"last_name":"Krusenbaum","full_name":"Krusenbaum, Annika","first_name":"Annika"},{"first_name":"Jonathan","full_name":"Geisler, Jonathan","last_name":"Geisler"},{"full_name":"Kraus, Fabien Joel Leon","last_name":"Kraus","first_name":"Fabien Joel Leon"},{"full_name":"Grätz, Sven","last_name":"Grätz","first_name":"Sven"},{"full_name":"Höfler, Mark Valentin","last_name":"Höfler","first_name":"Mark Valentin"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"last_name":"Borchardt","full_name":"Borchardt, Lars","first_name":"Lars"}],"date_created":"2026-02-07T15:50:44Z","date_updated":"2026-02-17T16:16:01Z","doi":"10.1002/pol.20210606","title":"The mechanochemical Friedel-Crafts polymerization as a solvent-free cross-linking approach toward microporous polymers"},{"language":[{"iso":"eng"}],"extern":"1","_id":"63983","user_id":"100715","abstract":[{"lang":"eng","text":"Polyethylene glycol (PEG) is increasingly used as an alternative green chemical solvent. New experimental measurements on density, viscosity, and self-diffusion coefficient are presented for PEG200, PEG400, and several binary mixtures of tri- and hexaethylene glycol covering a temperature range from 298.15 to 358.15 K. Because PEGs are polydisperse, the exact compositions of PEG200 from six different vendors are analytically determined and found to be comparable. Thus, only two of the most differing PEG200 samples are further examined. The effects of water as the most common impurity on densities, viscosities, and self-diffusion coefficients are inspected as well as the results of the “dry” samples obtained by extrapolation to zero water content. The obtained results are carefully compared to the available literature data. The temperature dependence of these physical properties is investigated and found to be linear for density, while viscosity and self-diffusion coefficients follow the Arrhenius law. Attempts to calculate the properties of the binary mixtures and PEG200 samples from the mole fraction weighted average of the physical properties of the mixture components result in reasonable agreement. Agreement between calculated and measured molar volumes is within measurement uncertainty. Agreement of calculated and measured viscosities is mostly within a few percent but increases with decreasing temperature (largest viscosities) reaching values of up to 15%. Similarly, calculated and measured self-diffusion coefficients mostly agree within 20%, which is near the measurement uncertainty, but overestimates increase to 30% for the highest temperatures (largest self-diffusion coefficients)."}],"status":"public","type":"journal_article","publication":"Journal of Chemical and Engineering Data","title":"Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols","doi":"10.1021/acs.jced.1c00759","date_updated":"2026-02-17T16:16:54Z","publisher":"American Chemical Society","author":[{"first_name":"Markus M.","full_name":"Hoffmann, Markus M.","last_name":"Hoffmann"},{"first_name":"Joseph D.","last_name":"Kealy","full_name":"Kealy, Joseph D."},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd","first_name":"Gerd"}],"date_created":"2026-02-07T15:44:52Z","volume":67,"year":"2022","citation":{"apa":"Hoffmann, M. M., Kealy, J. D., Gutmann, T., &#38; Buntkowsky, G. (2022). Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols. <i>Journal of Chemical and Engineering Data</i>, <i>67</i>(1), 88–103. <a href=\"https://doi.org/10.1021/acs.jced.1c00759\">https://doi.org/10.1021/acs.jced.1c00759</a>","short":"M.M. Hoffmann, J.D. Kealy, T. Gutmann, G. Buntkowsky, Journal of Chemical and Engineering Data 67 (2022) 88–103.","mla":"Hoffmann, Markus M., et al. “Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols.” <i>Journal of Chemical and Engineering Data</i>, vol. 67, no. 1, American Chemical Society, 2022, pp. 88–103, doi:<a href=\"https://doi.org/10.1021/acs.jced.1c00759\">10.1021/acs.jced.1c00759</a>.","bibtex":"@article{Hoffmann_Kealy_Gutmann_Buntkowsky_2022, title={Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols}, volume={67}, DOI={<a href=\"https://doi.org/10.1021/acs.jced.1c00759\">10.1021/acs.jced.1c00759</a>}, number={1}, journal={Journal of Chemical and Engineering Data}, publisher={American Chemical Society}, author={Hoffmann, Markus M. and Kealy, Joseph D. and Gutmann, Torsten and Buntkowsky, Gerd}, year={2022}, pages={88–103} }","ieee":"M. M. Hoffmann, J. D. Kealy, T. Gutmann, and G. Buntkowsky, “Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols,” <i>Journal of Chemical and Engineering Data</i>, vol. 67, no. 1, pp. 88–103, 2022, doi: <a href=\"https://doi.org/10.1021/acs.jced.1c00759\">10.1021/acs.jced.1c00759</a>.","chicago":"Hoffmann, Markus M., Joseph D. Kealy, Torsten Gutmann, and Gerd Buntkowsky. “Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols.” <i>Journal of Chemical and Engineering Data</i> 67, no. 1 (2022): 88–103. <a href=\"https://doi.org/10.1021/acs.jced.1c00759\">https://doi.org/10.1021/acs.jced.1c00759</a>.","ama":"Hoffmann MM, Kealy JD, Gutmann T, Buntkowsky G. Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols. <i>Journal of Chemical and Engineering Data</i>. 2022;67(1):88–103. doi:<a href=\"https://doi.org/10.1021/acs.jced.1c00759\">10.1021/acs.jced.1c00759</a>"},"page":"88–103","intvolume":"        67","issue":"1"},{"type":"journal_article","publication":"Solid State Nuclear Magnetic Resonance","status":"public","abstract":[{"lang":"eng","text":"In this work, the behavior of four different commercially available polarizing agents is investigated employing the non-ionic model surfactant 1-octanol as analyte. A relative method for the comparison of the proportion of the direct and indirect polarization transfer pathways is established, allowing a direct comparison of the polarization efficacy for different radicals and different parts of the 1-octanol molecule despite differences in radical concentration or sample amount. With this approach, it could be demonstrated that the hydrophilicity is a key factor in the way polarization is transferred from the polarizing agent to the analyte. These findings are confirmed by the determination of buildup times Tb, illustrating that the choice of polarizing agent plays an essential role in ensuring an optimal polarization transfer and therefore the maximum amount of enhancement possible for DNP enhanced NMR measurements."}],"user_id":"100715","_id":"63948","language":[{"iso":"eng"}],"extern":"1","keyword":["DNP NMR","Dynamics","Low temperature NMR","Octanol","Solid state NMR","Surfactants"],"citation":{"mla":"Döller, Sonja C., et al. “A Case Study on the Influence of Hydrophilicity on the Signal Enhancement by Dynamic Nuclear Polarization.” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 122, 2022, p. 101829.","bibtex":"@article{Döller_Gutmann_Hoffmann_Buntkowsky_2022, title={A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization}, volume={122}, journal={Solid State Nuclear Magnetic Resonance}, author={Döller, Sonja C. and Gutmann, Torsten and Hoffmann, Markus and Buntkowsky, Gerd}, year={2022}, pages={101829} }","short":"S.C. Döller, T. Gutmann, M. Hoffmann, G. Buntkowsky, Solid State Nuclear Magnetic Resonance 122 (2022) 101829.","apa":"Döller, S. C., Gutmann, T., Hoffmann, M., &#38; Buntkowsky, G. (2022). A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization. <i>Solid State Nuclear Magnetic Resonance</i>, <i>122</i>, 101829.","ama":"Döller SC, Gutmann T, Hoffmann M, Buntkowsky G. A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization. <i>Solid State Nuclear Magnetic Resonance</i>. 2022;122:101829.","ieee":"S. C. Döller, T. Gutmann, M. Hoffmann, and G. Buntkowsky, “A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization,” <i>Solid State Nuclear Magnetic Resonance</i>, vol. 122, p. 101829, 2022.","chicago":"Döller, Sonja C., Torsten Gutmann, Markus Hoffmann, and Gerd Buntkowsky. “A Case Study on the Influence of Hydrophilicity on the Signal Enhancement by Dynamic Nuclear Polarization.” <i>Solid State Nuclear Magnetic Resonance</i> 122 (2022): 101829."},"page":"101829","intvolume":"       122","year":"2022","author":[{"last_name":"Döller","full_name":"Döller, Sonja C.","first_name":"Sonja C."},{"full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann","first_name":"Torsten"},{"last_name":"Hoffmann","full_name":"Hoffmann, Markus","first_name":"Markus"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"}],"date_created":"2026-02-07T09:13:08Z","volume":122,"date_updated":"2026-02-17T16:18:26Z","title":"A case study on the influence of hydrophilicity on the signal enhancement by dynamic nuclear polarization"},{"language":[{"iso":"eng"}],"extern":"1","_id":"63944","user_id":"100715","abstract":[{"text":"Abstract The donor properties of a set of bulky ferrocene based bisphosphanes (Fe(C5H4PMes2)2 and (C5H4PMes2)Fe(C5H4PtBu2 with Mes= mesityl and tBu=tert-butyl) were probed by exploring the NMR parameters of the corresponding selenophosphoranes amended by cyclovoltammetry. The ligand properties were explored in the complexation of copper phenylacetylide which is relevant as intermediate in the Cu(I) catalyzed CO2 addition to phenylacetylene. Owing to the poor solubility of the resulting complexes their characterization was performed with solid state NMR spectroscopy amended by IR spectroscopy, mass spectrometry and elemental analysis. Remarkably, these complexes feature luminescent properties, albeit with limited quantum yield.","lang":"eng"}],"status":"public","type":"journal_article","publication":"European Journal of Inorganic Chemistry","title":"Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog","doi":"10.1002/ejic.202100939","date_updated":"2026-02-17T16:18:34Z","date_created":"2026-02-07T09:11:00Z","author":[{"full_name":"Dey, Subhayan","last_name":"Dey","first_name":"Subhayan"},{"full_name":"Roesler, Fabian","last_name":"Roesler","first_name":"Fabian"},{"first_name":"Mark V.","full_name":"Höfler, Mark V.","last_name":"Höfler"},{"first_name":"Clemens","last_name":"Bruhn","full_name":"Bruhn, Clemens"},{"first_name":"Torsten","last_name":"Gutmann","id":"118165","full_name":"Gutmann, Torsten"},{"first_name":"Rudolf","full_name":"Pietschnig, Rudolf","last_name":"Pietschnig"}],"volume":2022,"year":"2022","citation":{"ama":"Dey S, Roesler F, Höfler MV, Bruhn C, Gutmann T, Pietschnig R. Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog. <i>European Journal of Inorganic Chemistry</i>. 2022;2022(3):e202100939. doi:<a href=\"https://doi.org/10.1002/ejic.202100939\">10.1002/ejic.202100939</a>","ieee":"S. Dey, F. Roesler, M. V. Höfler, C. Bruhn, T. Gutmann, and R. Pietschnig, “Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog,” <i>European Journal of Inorganic Chemistry</i>, vol. 2022, no. 3, p. e202100939, 2022, doi: <a href=\"https://doi.org/10.1002/ejic.202100939\">10.1002/ejic.202100939</a>.","chicago":"Dey, Subhayan, Fabian Roesler, Mark V. Höfler, Clemens Bruhn, Torsten Gutmann, and Rudolf Pietschnig. “Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky Dppf-Analog.” <i>European Journal of Inorganic Chemistry</i> 2022, no. 3 (2022): e202100939. <a href=\"https://doi.org/10.1002/ejic.202100939\">https://doi.org/10.1002/ejic.202100939</a>.","apa":"Dey, S., Roesler, F., Höfler, M. V., Bruhn, C., Gutmann, T., &#38; Pietschnig, R. (2022). Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog. <i>European Journal of Inorganic Chemistry</i>, <i>2022</i>(3), e202100939. <a href=\"https://doi.org/10.1002/ejic.202100939\">https://doi.org/10.1002/ejic.202100939</a>","short":"S. Dey, F. Roesler, M.V. Höfler, C. Bruhn, T. Gutmann, R. Pietschnig, European Journal of Inorganic Chemistry 2022 (2022) e202100939.","mla":"Dey, Subhayan, et al. “Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky Dppf-Analog.” <i>European Journal of Inorganic Chemistry</i>, vol. 2022, no. 3, 2022, p. e202100939, doi:<a href=\"https://doi.org/10.1002/ejic.202100939\">10.1002/ejic.202100939</a>.","bibtex":"@article{Dey_Roesler_Höfler_Bruhn_Gutmann_Pietschnig_2022, title={Synthesis, Structure and Cu-Phenylacetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog}, volume={2022}, DOI={<a href=\"https://doi.org/10.1002/ejic.202100939\">10.1002/ejic.202100939</a>}, number={3}, journal={European Journal of Inorganic Chemistry}, author={Dey, Subhayan and Roesler, Fabian and Höfler, Mark V. and Bruhn, Clemens and Gutmann, Torsten and Pietschnig, Rudolf}, year={2022}, pages={e202100939} }"},"page":"e202100939","intvolume":"      2022","issue":"3"}]