[{"year":"2024","page":"100152","intvolume":"        20","citation":{"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>","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>.","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>.","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>.","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>"},"date_updated":"2026-02-17T16:17:22Z","volume":20,"author":[{"first_name":"Kevin","last_name":"Herr","full_name":"Herr, Kevin"},{"first_name":"Mark V.","full_name":"Höfler, Mark V.","last_name":"Höfler"},{"first_name":"Henrike","last_name":"Heise","full_name":"Heise, Henrike"},{"last_name":"Aussenac","full_name":"Aussenac, Fabien","first_name":"Fabien"},{"last_name":"Kornemann","full_name":"Kornemann, Felix","first_name":"Felix"},{"last_name":"Rosenberger","full_name":"Rosenberger, David","first_name":"David"},{"last_name":"Brodrecht","full_name":"Brodrecht, Martin","first_name":"Martin"},{"last_name":"Oliveira","full_name":"Oliveira, Marcos","first_name":"Marcos"},{"first_name":"Gerd","last_name":"Buntkowsky","full_name":"Buntkowsky, Gerd"},{"id":"118165","full_name":"Gutmann, Torsten","last_name":"Gutmann","first_name":"Torsten"}],"date_created":"2026-02-07T15:42:00Z","title":"Biradicals based on PROXYL containing building blocks for efficient dynamic nuclear polarization in biotolerant media","doi":"10.1016/j.jmro.2024.100152","publication":"Journal of Magnetic Resonance Open","type":"journal_article","abstract":[{"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.","lang":"eng"}],"status":"public","_id":"63974","user_id":"100715","keyword":["solid-state nmr","dynamic nuclear polarization","peptides","Biradicals","Spin labeling"],"language":[{"iso":"eng"}],"extern":"1"},{"title":"Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands","doi":"10.1007/s00723-019-01115-x","date_updated":"2026-02-17T16:17:34Z","volume":50,"author":[{"first_name":"S.","last_name":"Hadjiali","full_name":"Hadjiali, S."},{"last_name":"Savka","full_name":"Savka, R.","first_name":"R."},{"first_name":"M.","last_name":"Plaumann","full_name":"Plaumann, M."},{"full_name":"Bommerich, U.","last_name":"Bommerich","first_name":"U."},{"full_name":"Bothe, S.","last_name":"Bothe","first_name":"S."},{"first_name":"Torsten","full_name":"Gutmann, Torsten","id":"118165","last_name":"Gutmann"},{"full_name":"Ratajczyk, T.","last_name":"Ratajczyk","first_name":"T."},{"full_name":"Bernarding, J.","last_name":"Bernarding","first_name":"J."},{"last_name":"Limbach","full_name":"Limbach, H. H.","first_name":"H. H."},{"first_name":"H.","full_name":"Plenio, H.","last_name":"Plenio"},{"full_name":"Buntkowsky, G.","last_name":"Buntkowsky","first_name":"G."}],"date_created":"2026-02-07T15:40:18Z","year":"2019","page":"895–902","intvolume":"        50","citation":{"apa":"Hadjiali, S., Savka, R., Plaumann, M., Bommerich, U., Bothe, S., Gutmann, T., Ratajczyk, T., Bernarding, J., Limbach, H. H., Plenio, H., &#38; Buntkowsky, G. (2019). Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. <i>Applied Magnetic Resonance</i>, <i>50</i>(7), 895–902. <a href=\"https://doi.org/10.1007/s00723-019-01115-x\">https://doi.org/10.1007/s00723-019-01115-x</a>","short":"S. Hadjiali, R. Savka, M. Plaumann, U. Bommerich, S. Bothe, T. Gutmann, T. Ratajczyk, J. Bernarding, H.H. Limbach, H. Plenio, G. Buntkowsky, Applied Magnetic Resonance 50 (2019) 895–902.","mla":"Hadjiali, S., et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” <i>Applied Magnetic Resonance</i>, vol. 50, no. 7, 2019, pp. 895–902, doi:<a href=\"https://doi.org/10.1007/s00723-019-01115-x\">10.1007/s00723-019-01115-x</a>.","bibtex":"@article{Hadjiali_Savka_Plaumann_Bommerich_Bothe_Gutmann_Ratajczyk_Bernarding_Limbach_Plenio_et al._2019, title={Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands}, volume={50}, DOI={<a href=\"https://doi.org/10.1007/s00723-019-01115-x\">10.1007/s00723-019-01115-x</a>}, number={7}, journal={Applied Magnetic Resonance}, author={Hadjiali, S. and Savka, R. and Plaumann, M. and Bommerich, U. and Bothe, S. and Gutmann, Torsten and Ratajczyk, T. and Bernarding, J. and Limbach, H. H. and Plenio, H. and et al.}, year={2019}, pages={895–902} }","ama":"Hadjiali S, Savka R, Plaumann M, et al. Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands. <i>Applied Magnetic Resonance</i>. 2019;50(7):895–902. doi:<a href=\"https://doi.org/10.1007/s00723-019-01115-x\">10.1007/s00723-019-01115-x</a>","chicago":"Hadjiali, S., R. Savka, M. Plaumann, U. Bommerich, S. Bothe, Torsten Gutmann, T. Ratajczyk, et al. “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands.” <i>Applied Magnetic Resonance</i> 50, no. 7 (2019): 895–902. <a href=\"https://doi.org/10.1007/s00723-019-01115-x\">https://doi.org/10.1007/s00723-019-01115-x</a>.","ieee":"S. Hadjiali <i>et al.</i>, “Substituent Influences on the NMR Signal Amplification of Ir Complexes with Heterocyclic Carbene Ligands,” <i>Applied Magnetic Resonance</i>, vol. 50, no. 7, pp. 895–902, 2019, doi: <a href=\"https://doi.org/10.1007/s00723-019-01115-x\">10.1007/s00723-019-01115-x</a>."},"publication_identifier":{"issn":["1613-7507"]},"issue":"7","keyword":["dynamic nuclear-polarization","hyperpolarization","enhancement","hydrogen induced polarization","olefin-metathesis catalysts","parahydrogen-induced polarization","peptides","Physics","sabre","spectroscopy"],"extern":"1","language":[{"iso":"eng"}],"_id":"63969","user_id":"100715","abstract":[{"lang":"eng","text":"A number of Ir-N-heterocyclic carbene (Ir-NHC) complexes with asymmetric N-heterocyclic carbene (NHC) ligands have been prepared and examined for signal amplification by reversible exchange (SABRE). Pyridine was chosen as model compound for hyperpolarization experiments. This substrate was examined in a solvent mixture using several Ir-NHC complexes, which differ in their NHC ligands. The SABRE polarization was created at 6mT and the H-1 nuclear magnetic resonancesignals were detected at 7T. We show that asymmetric NHC ligands, because of their favorable chemistry, can adapt the SABREactive complexes to different chemical scenarios."}],"status":"public","publication":"Applied Magnetic Resonance","type":"journal_article"}]