Publication list

[125] Limprasart, W., Höfler, M. V., Kunzmann, N., Rösler, L., Herr, K., Breitzke, H., Gutmann, T.* Peptides as Model Systems for Biofunctionalizations of Cellulose – Synthesis and Structural Characterization by Advanced Solid-State NMR Techniques. J. Phys. Chem. C, (2023), accepted Manuscript ID: jp-2023-050685.R1

[124] Šić, E., Schutjajew, K., Haagen, U., Breitzke, H., Oschatz, M., Buntkowsky, G.*, Gutmann, T.* Electrochemical Sodium Storage in Hard Carbon Powder Electrodes Implemented in an Improved Cell Assembly: Insights from In-Situ and Ex-Situ Solid-State NMR. ChemSusChem, (2023), e202301300.
DOI: 10.1002/cssc.202301300

[123] Haro Mares, N., Brodrecht, M., Wissel, T., Döller, S. C., Rösler, L., Breitzke, H., Hoffmann, M., Gutmann, T.*, Buntkowsky, G.* Influence of APTES-Decorated Mesoporous Silica on the Dynamics of Ethylene Glycol Molecules – Insights from Variable Temperature 2H Solid-State NMR. J. Phys. Chem. C 127, (2023),
DOI: 10.1021/acs.jpcc.3c03671

[122] Döller, S. C., Brodrecht, M., Gutmann, T., Hoffmann, M., Buntkowsky, G.* Direct and Indirect DNP NMR Uncovers the Interplay of Surfactants with their Mesoporous Host Material. J. Phys. Chem. C 127, (2023), 12125–12134.
DOI: 10.1021/acs.jpcc.3c01946

[121] Schumacher, L., Pfeiffer, J., Shen, J., Gutmann, T., Breitzke, H., Buntkowsky, G., Hofmann, K., Hess, C.* Collaborative Mechanistic Effects between Vanadia and Titania during the Oxidative Dehydrogenation of Propane Investigated by Operando and Transient Spectroscopy. ACS Catalysis 13, (2023), 8139–8160.
DOI: 10.1021/acscatal.3c01404

[120] Šić, E., Rohrer, J.*, Ricohermoso, E., Albe, K., Ionescu, E., Riedel, R., Breitzke, H., Gutmann, T.*, Buntkowsky, G.* SiCO Ceramics as Storage Materials for Alkali Metals/Ions – Insights on Structure Moieties from Solid-State NMR and DFT Calculations. ChemSusChem, (2023), e202202241.
DOI: 10.1002/cssc.202202241

[119] Asanbaeva, N. B., Dobrynin, S. A., Morozov, D. A., Haro-Mares, H., Gutmann, T., Buntkowsky, G., Bagryanskaya, E. G.* An EPR Study on Highly Stable Nitroxyl-nitroxyl Biradicals for Dynamic Nuclear Polarization Applications at High Magnetic Fields. Molecules 28, (2023), 1926.
DOI: 10.3390/molecules28041926

[118] Hoffmann, M. M.*, Randall, N. P., Apak, M. H., Paddock, N. A., 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. J. Solut. Chem. 52, (2023), 685–707.
DOI: 10.1007/s10953-023-01265-4

[117] Höfler, M. V., Limprasart, W., Rösler, L., Fleckenstein, M., Brodrecht, M., Herr, K., Schäfer, J.-L., Biesalski, M., Breitzke, H., Gutmann, T.*, Fluorine Labeled N-Boc-L-Proline as Marker for Solid-State NMR Characterization of Biofunctionalizations on Paper Substrates. J.
Phys. Chem C 117, (2023), 3570–3578.
DOI: 10.1021/acs.jpcc.2c08370

[116] ] Krusenbaum, A., Kraus, F. J. L., Hutsch, S., Grätz, S., Höfler, M.
V., Gutmann, T., Borchardt, L.*, The Rapid Mechanochemical Synthesis of Microporous Covalent Triazine Networks: Elucidating the Role of Chlorinated Linkers by a Solvent‑free Approach. Adv. Sustain. Syst., (2023), 2200477.
DOI: 10.1002/adsu.202200477

] König, J., Gutmann, T., Buntkowsky, G., Köckerling, M.*, Strong Cluster Supported Brønsted Acids: Hexanuclear Niobium Cluster Compounds with Protonated Crown Ether Cations: (Crown-H)2[Nb6Cli12Xa6] (X = Cl or
Br) and the Intermediate [Nb6Cl16(H2O)2]⋅4(dioxane). Inorg. Chem. 61, (2022), 15983-15990.
DOI: 10.1021/acs.inorgchem.2c02279

[114] Buntkowsky, G.*, Gutmann, T., PASADENA NMR, Nat. Catal. 5 (2022), 848-849.
DOI: 10.1038/s41929-022-00890-4

[113] Döller, S. C., Gutmann, T., Hoffmann, M., Buntkowsky, G.*, A Case Study on the Influence of Hydrophilicity on the Signal Enhancement by Dynamic Nuclear Polarization. Solid-state NMR 122, (2022), 101829.
DOI: 10.1016/j.ssnmr.2022.101829

[112] Asanbaeva, N. B., Gurskaya, L. Y., Polienko, Y. F., Rybalova, T., V., Kazantsev, M. S., Dmitriev, A. A., Gritsan, N. P., Haro-Mares, N., Gutmann, T., Buntkowsky, G., Tretyakov, E. V., Bagryanskaya, E. G.*, Effects of Spiro-Cyclohexane Substitution of Nitroxyl Biradicals on Dynamic Nuclear Polarization. Molecules 27, (2022), 3252.
DOI: 10.3390/molecules27103252

[111] Rösler, L., Höfler, M. V., Breitzke, H., Wissel, T., Herr, K., Heise, H., Gutmann, T.*, Buntkowsky, G.*, Dirhodium complex immobilization on modified cellulose for highly selective heterogeneous cyclopropanation reactions. Cellulose 29, (2022), 6283-6299.
DOI: 10.1007/s10570-022-04654-y

[110] Sic, E., Melzi d'Eril, M., Schutjajew, K., Graczyk-Zajac, M., Breitzke, H., Riedel, R., Oschatz, M., Gutmann, T*, Buntkowsky, G.*, SiCN Ceramics as Electrode Materials for Sodium/Sodium Ion Cells – Insights from 23Na In-situ Solid-State NMR. Batter. Supercaps 5, (2022), e202200066.
DOI: 10.1002/batt.202200066

[109] Dey, S., Kargin, D., Höfler, M. V., Szathmári, B., Bruhn, C., Gutmann, T., Kelemen, Z.*, Pietschnig, R.*, Oligo- and Polymerization of Phospha[2]Ferrocenophanes to one dimensional phosphorus chains with ferrocenylene handles. Polymer 242, (2022), 124589.
DOI: 10.1016/j.polymer.2022.124589

[108] Hoffmann, M. M.*, Kealy, J. D., Gutmann, T., Buntkowsky, G.* Densities, Viscosities, and Self-Diffusion Coefficients of Several Polyethylene Glycols. J. Chem. Eng. Data 67, (2022), 88-103.
DOI: 10.1021/acs.jced.1c00759

[107] Dey, S., Roesler, F., Höfler, M. V., Bruhn, C., Gutmann, T.*, Pietschnig, R.* Synthesis, Structure and Cu-Acetylide Coordination of an Unsymmetrically Substituted Bulky dppf-Analog. Eur. J. Inorg. Chem. 2022, (2022), e202100939.
DOI: 10.1002/ejic.202100939

[106] Krusenbaum, A., Geisler, J., Kraus, F. J. L., Grätz, S., Höfler, M. V., Gutmann, T., Borchardt, L.* The Mechanochemical Friedel Crafts Polymerization as a Solvent-free Cross-linking Approach towards Microporous Polymers. J. Polym. Sci. 60, (2022), 62-71.
DOI: 10.1002/pol.20210606

[105] Buntkowsky, G.*, Döller, S., Haro-Mares, N., Gutmann, T., Hoffmann, M., Solid-state NMR studies of non-ionic surfactants confined in mesoporous silica. Z. Phys. Chem. 236, (2022), 939-960.
DOI: 10.1515/zpch-2021-3132

[104] Döller, S. C., Brodrecht, M., Haro Mares, N., Breitzke, H., Gutmann, T., Hoffmann, M., Buntkowsky, G.* Deuterium NMR Studies of the Solid-Liquid Phase Transition of Octanol-d17 Confined in SBA-15. J. Phys. Chem C 125, (2021), 25155–25164.
DOI: 10.1021/acs.jpcc.1c05873

[103] Höfler, M. V., Hoinka, N., Schäfer, T., Horn, M., Aussenac, F., Fuhrmann-Lieker, T.*, Gutmann, T.*, Light Amplification Materials based on Biopolymers doped with Dye Molecules – Structural Insights from 15N and 13C Solid state Dynamic Nuclear Polarization. J. Phys. Chem C 125, (2021), 21550–21558.
DOI: 10.1021/acs.jpcc.1c06737

[102] Klintuch, D., Höfler, M., Wissel, T., Bruhn, C., Gutmann, T.*, Pietschnig, R.* Trifunctional silyl groups as anchoring units in the preparation of luminescent phosphole-silica hybrids. Inorg. Chem. 60, (2021), 14263–14274.
DOI: 10.1021/acs.inorgchem.1c01775

[101] Li, Z., Rösler, L., Wissel, T., Breitzke, H., Gutmann, T.*, Buntkowsky, G.* Immobilization of a Chiral Dirhodium Catalyst on SBA-15 via Click-Chemistry: Application in the Asymmetric Cyclopropanation of 3-Diazooxindole with Aryl Alkenes. J. CO2 Util. 52, (2021), 101682. DOI: 10.1016/j.jcou.2021.101682

[100] Venel, F., Nagashima, H., Rankin, A. G. M., Anquetil, C., Klimavicius, V., Gutmann, T., Buntkowsky, G., Derenne, S., Lafon, O.,* Huguet, A., Pourpoint, F.* Characterization of functional groups in estuarine dissolved organic matter by DNP-enhanced 15N and 13C solid-state NMR. Chem. Phys. Chem. 22, (2021), 1907-1913.
DOI: 10.1002/cphc.202100334

[99] Herr, K., Fleckenstein, M., Brodrecht, M., Höfler, M., Gutmann, T., Reggelin, M.*, Buntkowsky, G.* A Novel Strategy for Site Selective Spin-Labeling to Investigate Bioactive Entities by DNP and EPR Spectroscopy. Sci. Rep.11, (2021), 13714.
DOI: 10.1038/s41598-021-92975-6

[98] de Oliveira Jr, M., Herr, K., Brodrecht, M., Haro-Mares, N., Wissel, T., Klimavicius, V., Breitzke, H., Gutmann, T., Buntkowsky, G.* Solvent-free dynamic nuclear polarization enhancements in organically modified mesoporous silica. Phys. Chem. Chem. Phys. 23, (2021), 12559-12568.
DOI: 10.1039/D1CP00985K

[97] Rothermel, N., Limbach, H.-H., del Rosal, I., Poteau, R.*, Mencia, G., Chaudret, B., Buntkowsky, G.*, Gutmann, T.* Surface reactions of ammonia on ruthenium nanoparticles revealed by 15N and 13C solid-state NMR. Catal. Sci. Technol. 11, (2021), 4509 – 4520.
DOI: 10.1039/D0CY02476G

[96] Hoffmann, M. M.*, Horowitz, R. H., Gutmann, T., Buntkowsky, G.* Densities, Viscosities and Self-Diffusion Coefficients of Ethylene Glycol Oligomers. J. Chem. Eng. Data 66, (2021), 2480–2500.
DOI: 10.1021/acs.jced.1c00101

[95] Pietruschka, D., Kumari, B., Buntkowsky, G., Gutmann, T.*, Mollenhauer, D.* On the mechanism of Heterogenization of Dirhodium Catalysts: Insights from DFT calculations. Inorg. Chem. 60, (2021), 6239–6248.
DOI: 10.1021/acs.inorgchem.0c03712

[94] van der Zwan, K., Riedel, W., Aussenac, F., Reiter, C., Kreger, K., Schmidt, H.-W., Risse, T., Gutmann, T.*, Senker, J.* 19F MAS DNP for Probing Molecules in Nanomolar Concentrations: Direct Polarization as Key for NMR Spectra without Solvent and Matrix Signals. J. Phys. Chem. C 125, (2021), 7287−7296.
DOI: 10.1021/acs.jpcc.1c01167

[93] Klimavicius, V., Hilbig, H., Gutmann, T.*, Buntkowsky, G.* Direct Observation of Carbonate Formation in Partly Hydrated Tricalcium Silicate by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy. J. Phys. Chem. C 125, (2021), 7321−7328. DOI: 10.1021/acs.jpcc.0c10382

[92] Srour, M., Hadjiali, S., Brunnengräber, K., Weidler, H., Xu, Y., Breitzke, H., Gutmann, T.*, Buntkowsky, G.* A Novel Wilkinson’s Type Silica Supported Polymer Catalyst – Insights from solid-state NMR and hyperpolarization techniques. J. Phys. Chem. C 125, (2021), 125, 7178−7187.
DOI: 10.1021/acs.jpcc.1c00112

[91] Li, Z., Rösler, L., Wissel, T., Breitzke, H., Hofmann, K., Limbach, H.-H., Gutmann, T.*, Gerd Buntkowsky*. Design and Characterization of Novel Dirhodium Coordination Polymers – The Impact of Ligand Size on Selectivity in Asymmetric Cyclopropanation. Catal. Sci. Technol., (2021),
DOI: 10.1039/D1CY00109D

[90] Monteiro, A. S., de Oliveira Jr., M., Santagneli, S., Carcel, C., Gutmann, T., Buntkowsky, G., Chi Man, M. W., Barud, H. S., Ribeiro. S. J. L.* Modification of Bacterial Cellulose Membrane with 1,4-bis(triethoxysilyl)benzene: A thorough physical-chemical characterization study. J. Phys. Chem. C 125, (2021), 4498–4508.

[89] Liu, P., Liu, H., Schäfer, T., Gutmann, T., Gibhardt, H., Qi, H., Tian, L., Zhang, X. C., Buntkowsky, G., Zhang, K.*, Unexpected Selective Alkaline Periodate Oxidation of Chitin for the Isolation of Chitin Nanocrystals. Green Chemistry 23, (2021), 745-751.
DOI: 10.1039/D0GC04054A

[88] Ratajczyk, T.*, Buntkowsky, G., Gutmann, T., Fedorczyk, B., Mames, A., Pietrzak, M., Puzio, Z., Szkudlarek, P. G. Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors. Chem. Bio. Chem., (2020), 855-860. DOI:10.1002/cbic.202000711

[87] Grätz, S., de Olivera Jr., M., Gutmann, T.*, Borchardt, L.*, A comprehensive approach for the Characterization of Porous Polymers by 13C and 15N Dynamic Nuclear Polarization NMR Spectroscopy. Phys. Chem. Chem. Phys., (2020), 23307-23314.
DOI: 10.1039/D0CP04010J

[86] Hoffmann, M.*, Too, M., Vogel, M., Gutmann, T., Buntkowsky, G. Breakdown of the Stokes-Einstein Equation for Solutions of Water in Oil Reverse Micelles. J. Phys. Chem. B, (2020), 124, 9115–9125.
DOI: 10.1021/acs.jpcb.0c06124

[85] Li, Z., Rösler, L., Herr, K., Brodrecht, M., Breitzke, H., Hofmann, K., Limbach, H.-H., Gutmann, T.*, Buntkowsky, G.* Dirhodium Coordination Polymers for Asymmetric Cyclopropanation of Diazooxindoles with Olefins: Synthesis and Spectroscopic Analysis. ChemPlusChem 85, (2020), 1737-1746.
DOI: 10.1002/cplu.202000421

[84] Schäfer, T., Buntkowsky, G.*, Gutmann, T.* Solid-State NMR as versatile tool to identify the main chemical components of epoxy-based thermosets. ACS Omega, (2020), 5412-5420.
DOI: 10.1021/acsomega.9b04482

[83] Hoffmann, M.*, Bothe, S., Brodrecht, M., Klimavicius, V., Haro-Mares, N., Gutmann, T.* Buntkowsky, G.* Direct and Indirect Dynamic Nuclear Polarization Transfer Observed in Mesoporous Materials Impregnated with Nonionic Surfactant Solutions of Polar Polarizing Agents. J. Phys. Chem C, (2020), 5145-5156.
DOI: 10.1021/acs.jpcc.9b1050

[82] Groszewicz, P. B., Mendes, P., Kumari, B., Lins, J., Biesalski, M., Gutmann, T.*, Buntkowsky, G.* N-Hydroxysuccinimide-activated esters as a functionalization agent for amino cellulose: synthesis and solid-state NMR characterization. Cellulose 27, (2020), 1239–1254.
DOI: 10.1007/s10570-019-02864-5

[81] de Oliveira Jr, M., Seeburg, D., Weiss, J., Wohlrab, S., Buntkowsky, G.*, Bentrup, U.*, Gutmann, T.* Structural characterization of vanadium environments in MCM-41 molecular sieve catalysts by solid state 51V NMR. Catal. Sci. Technol. 9, (2019), 6180–6190.
DOI: 10.1039/C9CY01410A

[80] Kumari, B., Brodrecht, B., Gutmann, T., Breitzke, H.*, Buntkowsky,G.* Efficient Referencing of FSLG-CPMAS-HETCOR Spectra using 2D 1H MAS FSLG. App. Magn. Reson. 50, (2019), 1399-1407.
DOI: 10.1007/s00723-019-01156-2

[79] Sato, K*, Hirao, R., Timofeev, I., Krumkacheva, O., Zaytseva, E., Rogozhnikova, O., Tormyshev, V. M., Trukhin, D., Bagryanskaya, E.*, Gutmann, T., Klimavicius, V., Buntkowsky, G., Kenji Sugisaki, Nakazawa, S., Matsuoka, H., Toyota, K., Shiomi, D., Takui, T.* Trityl-Aryl-Nitroxide-Based Genuinely g Engineered Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations. J. Phys. Chem A, (2019), 7507-7517.
DOI: 10.1021/acs.jpca.9b07169

[78] Neumann, S., Gutmann, T., Buntkowsky, G., Paul, S., Thiele, G., Sievers, H., Bäumer, M., Kunz, S.* Insights into the Reaction Mechanism and Particle Size Effects of CO Oxidation over Supported Pt Nanoparticles Catalysts. J. Catal. 377, (2019), 662-672.
DOI: 10.1016/j.jcat.2019.07.049

[77] Nguyen, K., Kutzscher, C., Ehrling, S., Senkovska, I., Bon. V., de Oliveira Jr., M., Gutmann, T., Buntkowsky, G., Kaskel, S.* Insights into the Role of Zirconium in Proline Functionalized Metal-Organic Frameworks attaining high Enantio- and Diastereoselectivity. J. Catal. 377, (2019), 41-50.
DOI: 10.1016/j.jcat.2019.07.003

[76] Klimavicius, V., Neumann, S., Kunz, S., Gutmann, T.*, Buntkowsky, G.* Room temperature CO oxidation catalysed by supported Pt nanoparticles revealed by solid-state NMR and DNP spectroscopy. Catal. Sci. Technol. 9, (2019), 3743–3752.
DOI: 10.1039/c9cy00684b

[75] Brodrecht, M., Herr, K., Bothe, S., de Oliveira Jr., M., Gutmann, T., Buntkowsky, G.* Efficient building-blocks for solid state peptide synthesis of spin-labeled peptides for EPR and DNP applications. Chem. Phys. Chem. 20, (2019), 1475-1487.
DOI: 10.1002/cphc.201900211

[74] Brodrecht, M., Kumari, B., Thankamony, A. S. L., Breitzke, H., Gutmann, T.*, Buntkowsky*, G., Structural insights into peptides bound to the surface of silica nanopores, Chem. Eur. J., (2019), 5214-5221.
DOI: 10.1002/chem.201805480

[73] Hadjiali, S., Savka, R., Plaumann, M., Bommerich, U., Bothe, S., Gutmann, T., Ratajczyk, T., Bernarding, J., Limbach, H.-H., Plenio, H., Buntkowsky, G.*, Substituent influences on the NMR signal amplification of Ir complexes with heterocyclic carbene ligands, Appl. Magn. Reson., (2019), 895–902.

[72] Rothermel, N., Röther, T., Ayvalı, T., Martínez-Prieto, L. M., Philippot, K., Limbach, H.-H., Chaudret, B.*, Gutmann, T.*, Buntkowsky, G.*, Reactions of D2 with 1,4-Bis(diphenylphosphino)butane stabilized Metal Nanoparticles – A combined gas-phase NMR, GC-MS and solid-state NMR Study, Chem. Cat. Chem. 11, (2019), 1465-1471.
DOI: 10.1002/cctc.201801981R1

[71] Gutmann, T.*, Groszewicz, P., Buntkowsky, G.*, Solid-state NMR of nanocrystals. Annual Reports on NMR Spectroscopy, (2019), 1-82.
DOI: 10.1016/bs.arnmr.2018.12.001

[70] Schäfer, T., Vowinkel, S., Breitzke, H., Gallei, M., Gutmann, T.*, Selective DNP Signal Amplification to Probe Structures of Core-Shell Polymer Hybrid Nanoparticles. J. Phys. Chem. C 123, (2019), 644-652.
DOI: 10.1021/acs.jpcc.8b07969

[69] Dagys, L., Klimavicius, V., Gutmann, T., Buntkowsky, G., Balevicius, V.*, Quasi-Equilibria and Polarization Transfer Between Adjacent and Remote Spins: 1H–13C CP MAS Kinetics in Glycine. J. Phys. Chem. A 45, (2018), 8938-8947.
DOI: 10.1021/acs.jpca.8b0903

[68] Vowinkel, S., Boehm, A., Schäfer, T., Gutmann, T., Ionescu, E., Gallei, M.*, Preceramic Core-Shell Particles for the Preparation of Hybrid Colloidal Crystal Films by Melt-Shear Organization and Conversion into Porous Ceramics. Materials and Design 160, (2018), 926-935
DOI: 10.1016/j.matdes.2018.10.032

[67] Brodrecht, M., Breitzke, H., Gutmann, T., Buntkowsky, G.*, Bio-functionalization of nano channels by direct in-pore solid phase peptide synthesis. Chem. Eur. J. 24, (2018), 17814-17822
DOI: 10.1002/chem.201804065

[66] Liu, J., Xu, Y., Groszewicz, P., Brodrecht, M., Fasel,C., Hofmann, K., Tan, X., Gutmann, T.*, Buntkowsky, G.*, Novel Dirhodium Coordination Polymers: The Impact of Side Chains on Cyclopropanation, Catal. Sci. Technol. 8, (2018), 5190-5200.
DOI: 10.1039/C8CY01493K

[65] Liu, P., Pang, B., Tian, L., Schäfer, T., Gutmann, T., Liu, H., Volkert, C. A., Buntkowsky, G., Zhang, K.*, Efficient, self-terminating isolation of cellulose nanocrystals via periodate oxidation in Pickering emulsions, ChemSusChem 11, (2018), 3581-3585.
DOI: 10.1002/cssc.201801678

[64] Cao, Y., Zhao, L., Gutmann, T., Xu, Y., Dong, L., Buntkowsky, G.*, Gao, F.*, Getting Insights Into the Influence of Crystal Plane Effect of Shaped Ceria on Their Catalytic Performances, J. Phys. Chem. C 122, (2018), 20402-20409.
DOI: 10.1021/acs.jpcc.8b06138

[63] Kumari, B., Brodrecht, M., Breitzke, H., Werner, M., Grünberg, B., Limbach, H.-H., Forg, S., Sanjon, E., Drossel, B., Gutmann, T.*, Buntkowsky, G.*, Mixtures of Alcohols and Water Confined in Mesoporous Silica- A Combined Solid-State NMR and Molecular Dynamic Simulation Study, J. Phys. Chem. C 122, (2018), 19540-19550.
DOI: 10.1021/acs.jpcc.8b04745

[62] Rothermel, N., Bouzouita, D., Röther, T., Rosal del, I., Tricard, S., Poteau, R., Gutmann, T.*, Chaudret, B.*, Limbach, H.-H.*, Buntkowsky, G.*, Surprising Differences of Alkane C-H Activation catalyzed by Ruthenium Nanoparticles: Complex Surface-Substrate Recognition?, Chem. Cat. Chem. 10, (2018), 4243 – 4247.
DOI: 10.1002/cctc.201801022R1

[61] Bothe, S., Nowag, J., Klimavičius, V., Hoffmann, M., Troitskaya, T., Amosov, E., Tormyshev, V., Kirilyuk, I., Taratayko, A., Kuzhelev, A., Parkhomenko, D., Bagryanskaya, E.*, Gutmann, T.*, Buntkowsky, G.*, Novel Biradicals for Direct Excitation Highfield Dynamic Nuclear Polarization, J. Phys. Chem. C 122, (2018), 11422-11432.
DOI: 10.1021/acs.jpcc.8b02570

[60] Hoffmann, M.*, Bothe, S., Gutmann, T., Buntkowsky, G., Combining Freezing Point Depression and Self-Diffusion Data for Characterizing Aggregation, J. Phys. Chem. B 122, (2018), 4913-4921.
DOI: 10.1021/acs.jpcb.8b03456

[59] Azim, M. M.*, Pensado, A., Kirchner, B., Gutmann, T., Groszewicz, P.B., Buntkowsky, G., Stark, A.∗, Ionothermal synthesis of crystalline microporous aluminophosphates: Systematic study on the conditions affecting the framework type, Micropor. Mesopor. Mat. 266, (2018), 204-213.
DOI: 10.1016/j.micromeso.2018.02.053

[58] Kumari, B., John, D., Hoffmann, P., Spende, A., Toimil-Molares, M. E., Trautmann, C., Hess, C., Ruff, P., Schulze, M., Stark, R., Buntkowsky, G.*, Andrieu-Brunsen, A., Gutmann, T.*, Surface enhanced DNP assisted solid-state NMR of functionalized SiO2 coated Polycarbonate Membranes, Z. Phys. Chem., (2018),
DOI: 10.1515/zpch-2017-1032

[57] Limbach, H.-H.*, Pery, T., Rothermel, N., Chaudret, B., Gutmann, T., Buntkowsky, G., Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchange, Phys. Chem. Chem. Phys. 20, (2018), 10697-10712.
DOI: 10.1039/c7cp07770j

[56] Brodrecht, M., Kumari, B., Breitzke, H., Gutmann, T., Buntkowsky, G.*, Chemically Modified Silica Materials as Model Systems for the Characterization of Water-Surface Interactions, Z. Phys. Chem., (2018),
DOI: 10.1515/zpch-2017-1059

[55] Bothe, S., Hoffmann, M.*, Gutmann, T.*, Buntkowsky, G.*, Comparative Study of the Magnetic Field Depend Signal Enhancement in Solid-State Dynamic Nuclear Polarization Experiments, J. Phys. Chem. C 121, (2017), 27089−27097.
DOI: 10.1021/acs.jpcc.7b07967

[54] Vowinkel, S., Paul, S., Gutmann, T., Gallei, M.*, Free-Standing and Self-Crosslinkable Hybrid Films by Core-Shell Particle Design and Processing, Nanomaterials 7, (2017), 390.
DOI: 10.3390/nano7110390

[53] Hoffmann, M.*, Bothe, S., Gutmann, T.*, Buntkowsky, G.*, Unusual Local Molecular Motions in the Solid State Detected by Dynamic Nuclear Polarization Enhanced NMR Spectroscopy, J. Phys. Chem. C 121, (2017), 22948-22957.
DOI: 10.1021/acs.jpcc.7b07965

[52] Thankamony, A. S. L., Knoche, S., Bothe, S., Drochner, A., Jagtap, A. P., Sigurdsson, S., Vogel, H., Etzold, B. J. M., Gutmann, T.*, Buntkowsky, G.*, Characterization of V-Mo-W Mixed Oxide Catalyst Surface Species by 51V Solid-State Dynamic Nuclear Polarization NMR, J. Phys. Chem. C 121, (2017), 20857-20864.
DOI: 10.1021/acs.jpcc.7b06761

[51] Wang, Y., Groszewicz, P., Rosenfeldt, S., Schmidt, H., Volkert, C. A., Vana, P., Gutmann, T., Buntkowsky, G., Zhang, K.*, Thermo-reversible self-assembly of perfluorinated core-coronas cellulose-nanoparticles in dry state, Adv. Mater., (2017), 1702473.
DOI: 10.1002/adma.201702473

[50] Liu, J., Groszewicz, P., Wen, Q., Thankamony, A. S. L., Zhang, B., Kunz, U., Sauer, G., Xu, Y., Gutmann, T.*, Buntkowsky, G.*, Revealing Structure Reactivity Relationships in Heterogenized Dirhodium Catalysts by Solid State NMR Techniques, J. Phys. Chem. C 121, (2017), 17409-17416.
DOI: 10.1021/acs.jpcc.7b06807.

[49] Ahrem, L., Scholz, G., Gutmann, T.*, Calvo, B., Buntkowsky, G., Kemnitz, E.*, Direct Observation of Coordinatively Unsaturated Sites on the Surface of a Fluoride-Doped Alumina Catalyst, J. Phys. Chem. C 121, (2017), 12206−12213.
DOI: 10.1021/acs.jpcc.7b02535

[48] Gutmann, T.*, Buntkowsky, G.*, Solid-state NMR Studies of Supported Transition Metal Catalysts and Nanoparticles, in Modern Magnetic Resonance, Springer International Publishing AG, Cham, G. A. Webb (ed.), (2017), 1-21.
DOI 10.1007/978-3-319-28275-6_39-1

[47] Gutmann, T.*, Kumari, B., Zhao, L., Breitzke, H.; Schöttner, S., Rüttiger, C., Gallei, M.*, DNP Signal Amplification as Sensitive Probe for Specific Functionalization of Complex Paper Substrates, J. Phys. Chem. C 121, (2017), 3896-3903.
DOI: 10.1021/acs.jpcc.6b11751

[46] Hoffmann, M.*, Bothe, S., Gutmann, T.*, Hartmann, F., Reggelin, M., Buntkowsky, G.*, Directly vs. Indirectly Enhanced 13C in Dynamic Nuclear Polarization Magic Angle Spinning NMR Experiments of Nonionic Surfactant Systems, J. Phys. Chem. C 121, (2017), 2418-2424.
DOI: 10.1021/acs.jpcc.6b13087

[45] Dubois, C., Herzog, N., Rüttiger, C., Geissler, A., Grange, E., Kunz, U., Kleebe, H.-J., Biesalski, M., Meckel, T., Gutmann, T., Gallei, M., Andrieu-Brunsen, A.*, Fluid Flow Programming in Paper-Derived Silica-Polymer Hybrids, Langmuir 33, (2017), 332–339.
DOI: 10.1021/acs.langmuir.6b03839

[44] Gutmann, T., Alkhagani, S., Rothermel, N., Limbach, H.-H., Breitzke, H., Buntkowsky, G.*, 31P-Solid-State NMR Characterization and Catalytic Hydrogenation Tests of Novel heterogenized Iridium-Catalysts, Z. Phys. Chem. 231, (2017), 653–669.
DOI: 10.1515/zpch-2016-0837

[43] Liu, J., Fasel, C., Braga-Groszewicza, P., Rothermel, N., Thankamony, A. S., Sauer, G., Xu, Y.*, Gutmann, T.*, Buntkowsky, G.*, Heterogeneous Self-Supported Dirhodium (II) Catalysts with High Catalytic Efficiency in Cyclopropanation – A structural study, Catal. Sci. Technol. 6, (2016), 7830–7840.
DOI: 10.1039/C6CY00915H

[42] Chadwick, F., Kraemer, T., Gutmann, T., Rees, N., Thompson, A., Edwards, A., Buntkowsky, G., Macgregor, S.*, Weller, A.*, Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange, J. Amer. Chem. Soc. 38, (2016), 13369-13378.

[41] Srour, M. Hadjiali, S., Sauer, G., i Brunnengräber, K., Breitzke, H., Xu, Y., Weidler, H., Limbach, H.-H., Gutmann, T.*, Buntkowsky, G.*, Synthesis and solid-state NMR characterization of a novel, robust, pyridyl-based immobilized Wilkinson’s type catalyst with high catalytic performance, Chem. Cat. Chem. 8, (2016), 3409 –3416.
DOI: 10.1002/cctc.201600882R1

[40] Zhao, L., Smolarkiewicz, I., Limbach, H.-H., Breitzke, H., Pogorzelec-Glaser, K., Pankiewicz, R., Tritt-Goc, J.*, Gutmann, T.*, Buntkowsky, G.*, Imidazole Doped Cellulose as Membrane for Fuel Cells – Structural and Dynamic Insights from Solid-State NMR, J. Phys. Chem. C 120, (2016), 19574-19585.
DOI: 10.1021/acs.jpcc.6b07049

[39] Scheid, D., Stock, D., Winter, T., Gutmann, T.*, Dietz, C., Gallei, M.*, The Pivotal Step of Nanoparticle Functionalization for the Preparation of Functional and Magnetic Hybrid Opal Films, J. Mater. Chem. C 4, (2016), 2187-2196.

[38] Harrach, M., Drossel, B.*, Winschel, W., Gutmann, T., Buntkowsky, G.*, Mixtures of Isobutyric Acid and Water Confined in Cylindrical (Silica) Nanopores Revisited – A Combined Solid-State NMR and Molecular Dynamics Simulation Study, J. Phys. Chem. C 119, (2015), 28961–28969.
DOI: 10.1021/acs.jpcc.5b09537

[37] Werner, M., Heil, A., Rothermel, N., Breitzke, H., Braga Groszewicz, P., Thankamony, A. S., Gutmann, T.*, Buntkowsky G.* Synthesis and Solid State NMR Characterization of Novel Peptide/Silica Hybrid Materials, Solid State NMR 72, (2015), 73-78.
DOI: 10.1016/ j.ssnmr.2015.09.008

[36] Ratajczyk, T.*, Gutmann, T., Bernatowicz, P., Buntkowsky, G., Frydel, J., Fedorczyk, B. NMR Signal Enhancement by Effective SABRE Labelling of Oligopeptides. Chem. Eur. J. 21, (2015), 12616-12619.
DOI: 10.1002/chem.201501552

[35] Buntkowsky, G.* Gutmann, T. A Mouse-Trap for Carbenium-Ions: NMR Detectives at Work. Angew. Chem.- Int. Ed. 54, (2015), 9450-9451. Eine Mausefalle für Carbenium-Ionen: NMR-Detektive bei der Arbeit. Angew. Chem. 127, (2015), 9582–9584.
DOI: 10.1002/anie.201504899

[34] Cano, I., Huertos, M., Chapman, A., Buntkowsky, G., Gutmann, T., Groszewicz, P., van Leeuwen, P. W. N. M.* Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect, J. Am. Chem. Soc. 137, (2015), 7718–7727.
DOI: 10.1021/jacs.5b02802

[33] Liu, J., Plog, A., Groszewicz, P., Zhao, L., Xu, Y., Breitzke, H., Stark, A., Hoffmann, R., Gutmann, T.,* Zhang, K.,* Buntkowsky, G.* Design of a novel heterogeneous catalyst based on cellulose nanocrystals for cyclopropanation: Synthesis and solid-state NMR characterization. Chem. Eur. J. 21, (2015), 12414 -12420.
DOI: 10.1002/chem.201501151

[32] Gutmann, T.*, Liu, J., Rothermel, N., Xu, Y., Jaumann, E., Werner, M., Breitzke, H., Sigurdsson, S. Th., Buntkowsky, G.* Natural abundance 15N NMR by Dynamic Nuclear Polarization: Fast Analysis of Binding Sites of a novel Amine-Carboxyl-linked Immobilized Dirhodium Catalyst. Chem. Eur. J. 21, (2015), 3798 – 3805.
DOI: 10.1002/chem.201405043

[31] Zhao, L., Li, W., Plog, A., Xu, Y., Buntkowsky, G., Gutmann, T.*, Zhang, K.* Multi-responsive cellulose nanocrystal-rhodamine conjugates – An advanced structure study by solid-state dynamic nuclear polarization (DNP) NMR. Phys. Chem. Chem. Phys. 16, (2014), 26322 – 26329.
DOI: 10.1039/c4cp04096a

[30] Sauer, G., Nasu, D., Tietze, D., Gutmann, T., Englert, S., Avrutina, O., Kolmar, H.*, Buntkowsky, G.* Effective PHIP labeling of bioactive peptides boosts the intensity of the NMR signal. Angew. Chem.- Int. Ed. 53, (2014), 12941-12945. Effektive Markierung von bioaktiven Peptiden mit PHIP-Markern zur Steigerung der Empfindlichkeit von NMR-Signalen. Angew. Chem. 126, (2014), 13155 –13159.
DOI: 10.1002/anie.201404668R1 and 10.1002/ange.201404668R1

[29] Buntkowsky, G., Gutmann, T., Petrova, M.V., Ivanov, K.L., Bommerich, U., Plaumann, M., Bernarding, J. Dipolar Induced Para-Hydrogen-Induced Polarization Solid State NMR 63-64, (2014), 20-29.
DOI: 10.1016/j.ssnmr.2014.07.002

[28] Lego,D.*, Plaumann M., Trantzschel, T., Bargon J., Scheich, H., Buntkowsky, G., Gutmann, T., Sauer, G., Bernarding, J., Bommerich, U. Parahydrogen-induced polarization of carboxylic acids: a pilot study of valproic acid and related structures. NMR in Biomedicine 27 (2014), 810-816.
DOI: 10.1002/nbm.3123

[27] Bonnefille, E., Novio, F., Gutmann, T., Poteau, R., Lecante, P., Jumas, J. C., Philippot, K.*, Chaudret, B.* Tin-decorated ruthenium nanoparticles: a way to tune selectivity in hydrogenation reaction. Nanoscale 6 (2014), 9806-9816.

[26] Xu, Y., Watermann, T., Limbach, H.-H., Gutmann, T., Sebastiani, D., Buntkowsky, G.* Water and small organic molecules as probes for geometric confinement in well-ordered mesoporous carbon material. Phys. Chem. Chem. Phys. 16, (2014), 9327-9336.

[25] Werner, M., Rothermel, N., Breitzke, H., Gutmann, T.*, Buntkowsky, G.* Recent Advances in Solid-State NMR of Small Molecules in Confinement. Isr. J. Chem. 54 (2014), 60-73.
DOI: 10.1002/ijch.201300095

[24] Pieters, G., Taglang, C., Bonnefille, E., Gutmann, T., Puente, C., Berthet, J.-C., Dugave, C., Chaudret, B.*, Rousseau, B.* Regioselective and Stereospecific Deuteration of Bioactive Aza Compounds by the Use of Ruthenium Nanoparticles. Angew. Chem.- Int. Ed. 53, (2014), 230-234.
DOI: 10.1002/anie.201307930

[23] Abdulhussain, S., Breitzke, H., Ratajczyk, T., Grünberg, A., Srour, M., Arnaut, D., Weidler H., Kunz, U., Kleebe, H. J., Bommerich, U., Bernarding, J., Gutmann, T.*, Buntkowsky, G.* Synthesis, Solid State NMR-Characterization and Application of a novel Wilkinson’s type immobilized Catalyst for hydrogenation reactions. Chem. Eur. J. 20, (2014), 1159-1166.
DOI: 10.1002/chem.201303020

[22] Gutmann, T., Bonnefille, E., Breitzke, H., Debouttière, P.-J., Philippot, K., Poteau, R., Buntkowsky, G.*, Chaudret, B.* Investigation of the surface chemistry of phosphine-stabilized ruthenium nanoparticles – An advanced solid-state NMR study. Phys. Chem. Chem. Phys. 15, (2013), 17383-17394.
DOI: 10.1039/c3cp52927d

[21] Körner, M., Sauer, G., Heil, A., Nasu, D., Tietze, D., Voigt, S., Weidler, H., Gutmann, T., Avrutina, O., Kolmar, H., Ratajczyk, T.*, Buntkowsky, G.* PHIP-Label: Parahydrogen-Induced Polarization in Propargylglycine-Containing Synthetic Oligopeptides. Chem. Commun. 49, (2013), 7839-7841. DOI: 10.1039/C3CC43978J

[20] Gutmann, T., Gruenberg, A., Rothermel, N., Werner, M., Srour, M., Abdulhussain, S., Xu, Y., Breitzke, H., Buntkowsky G.* Solid-State NMR Concepts for the Investigation of supported Transition Metal Catalysts and Nano-particles. Solid State NMR 55-56, (2013), 1-11.
DOI: 10.1016/j.ssnmr.2013.06.004

[19] Grünberg, A., Gutmann, T., Rothermel, N., Xu, Y., Breitzke, H.*, Buntkowsky G.* Immobilization and Characterization of RuCl2(PPh3)3 on mesoporous Silica SBA-3. Z. Phys. Chem. 227, (2013), 901-915.
DOI: 10.1524/zpch.2013.0398

[18] Gutmann, T., del Rosal, I., Chaudret, B., Poteau, R., Limbach, H.-H., Buntkowsky, G.* From molecular complexes to complex metallic nanostructures– 2H solid-state NMR studies of ruthenium containing hydrogenation catalysts. Chem. Phys. Chem. 14, (2013), 3026-3033.
DOI: 10.1002/cphc.201300200

[17] Rafter, E., Gutmann, T., Löw, F., Buntkowsky, G., Philippot, K., Chaudret, B., van Leeuwen, P. W. N. M.* Secondary Phosphine Oxides as Pre-Ligands for Nanoparticle Stabilization. Catal. Sci. Technol. 3, (2013), 595-599.
DOI: 10.1039/C2CY20683H

[16] Trantzschel, T.*, Bernarding, J., Plaumann, M., Lego, D., Gutmann, T., Ratajczyk, T., Dillenberger, S., Buntkowsky, G., Bargon, J., Bommerich, U. Parahydrogen induced polarization in face of keto-enol tautomerism: proof of concept with hyperpolarized ethanol. Phys. Chem. Chem. Phys. 14, (2012), 5601-5604.
DOI: 10.1039/C2CP40272F

[15] Ratajczyk, T, Gutmann, T., Dillenberger, S., Abdulhussaein, S., Frydel, J., Breitzke, H., Bommerich, U., Trantzschel, T., Bernarding, J., Magusin, P., Buntkowsky, G.* Time Domain Para Hydrogen Induced Polarization. Solid State NMR 43–44, (2012), 14–21.
DOI: 10.1016/j.ssnmr.2012.02.002

[14] del Rosal, I., Gutmann, T., Walaszek, B., Gerber, I. C., Chaudret, B., Limbach, H.-H., Buntkowsky, G., Poteau, R.* 2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry. Phys. Chem. Chem. Phys. 13, (2011), 20199–20207.
DOI: 10.1039/C1CP22081K

[13] Gutmann, T., Ratajczyk, T., Dillenberger, S., Xu, Y., Grünberg, A., Breitzke, H., Bommerich, U., Trantzschel, T., Bernarding, J., Buntkowsky, G.* New investigations of technical rhodium and iridium catalysts in homogeneous phase employing Para-Hydrogen Induced Polarization. Solid State NMR 40, (2011), 88-90.
DOI: 10.1016/j.ssnmr.2011.08.002

[12] Frydel, J. A., Krzystyniak, M., Pienkowski, D., Pietrzak, M., de Sousa Amadeu, N., Ratajczyk, T., Idzik, K., Gutmann, T., Tietze, D., Voigt, S., Fenn, A., Limbach, H.-H., Buntkowsky, G.* Efficient Design of Multituned Transmission Line NMR Probes: The Electrical Engineering Approach. Solid State NMR 39, (2011), 72-80.
DOI: 10.1016/j.ssnmr.2011.01.001

[11] Tietze, D., Voigt, S., Mollenhauer, D., Tischler, M., Imhof, D. Gutmann, T., González, L., Ohlenschläger, O., Breitzke, H., Görlach, M. Buntkowsky, G.* Revealing the position of the substrate in NiSOD: a model study. Angew. Chem. – Int. Ed. 50, (2011), 2946-2950. Bestimmung der Substratposition in der Nickel-Superoxiddismutase: eine Modellstudie Angew. Chem. 123, (2011), 3002-3006.
DOI: 10.1002/anie.201005027 and 10.1002/ange.201005027

[10] Gutmann, T., Ratajczyk; T., Xu, Y., Breitzke, H., Gruenberg, A., Dillenberger, S., Bommerich, U., Trantzschel, T., Bernarding, J., Buntkowsky, G.* Understanding the leaching Properties of heterogenized Catalysts: a combined Solid State and PHIP NMR Study. Solid State NMR 38, (2010), 90-96.
DOI: 10.1016/j.ssnmr.2011.03.001

[9] Gutmann, T., Walaszek, B., Xu, Y., Wächtler, M., del Rosal, I., Grünberg, A., Poteau, R., Axet, R., Lavigne, G., Chaudret, B., Limbach, H.-H, Buntkowsky, G.* Hydrido-ruthenium cluster complexes as models for reactive surface hydrogen species of ruthenium nanoparticles – Solid-state 2H NMR and quantum chemical calculations. J. Am. Chem. Soc. 132, (2010), 11759-11767.
DOI: 10.1021/ja104229a

[8] Gutmann,T., Sellin, M., Breitzke, H., Stark, A., Buntkowsky, G.* Para-Hydrogen Induced Polarization in Homogeneous Phase – An Example of how Ionic Liquids Affect Homogenization and thus Activation of Catalysts. Phys. Chem. Chem. Phys. 11, (2009), 9170-9175.
DOI: 10.1039/b908198d

[7] del Rosal, I., Gutmann, T., Maron, L., Jolibois, F., Chaudret, B., Walaszek, B., Limbach, H.-H, Poteau, R.*, Buntkowsky, G.* DFT 2H quadrupolar coupling constants of ruthenium complexes: A good probe of the coordination of hydrides in conjunction with experiments. Phys. Chem. Chem. Phys. 11, (2009), 5657-5663.
DOI: 10.1039/B822150B

[6] Fenn, A., Wächtler, M., Gutmann, T., Breitzke, H., Buchholz, A., Lippold, I., Plass, W., Buntkowsky, G.* Correlations between 51V solid-state NMR parameters and chemical structure of vanadium (V) complexes as models for related metalloproteins and catalysts. Solid State NMR 36, (2009), 192-201.
DOI: 10.1016/j.ssnmr.2009.11.003

[5] Wächtler, M., Schweitzer, A., Gutmann, T., Breitzke, H., Buntkowsky, G.* Effcient analysis of 51V solid-state MAS NMR spectra using genetic algorithms. Solid State NMR 35, (2009), 37-48.
DOI: 10.1016/j.ssnmr.2008.11.003

[4] Walaszek, B., Adamczyk, A., Pery,T., Xu, Y., Gutmann, T., Amadeu de Sousa, N., Ulrich, S., Breitzke H., Vieth, H. M., Sabo-Etienne, S., Chaudret, B., Limbach, H.-H, Buntkowsky, G.* 2H solid-state NMR of ruthenium complexes. J. Am. Chem. Soc.130, (2008), 17502-17508.
DOI: 10.1021/ja806344y

[3] Gutmann, T., Schweitzer, A., Wächtler, M., Breitzke, H., Buchholz, A., Plass, W., Buntkowsky, G.* DFT calculations of 51V solid-state NMR parameters of vanadium(V) model complexes. Z. Phys. Chem. 222, (2008), 1389-1406.
DOI: 10.1524/zpch.2008.5401

[2] Schweitzer, A., Gutmann, T., Wächtler, M., Breitzke, H., Buchholz, A., Plass, W., Buntkowsky, G.* 51V solid-state NMR investigations and DFT studies of model compounds for vanadium haloperoxidases. Solid State NMR 34 (2008), 52-67.
DOI: 10.1016/j.ssnmr.2008.02.003

[1] Buntkowsky, G.*, Limbach, H.H., Walaszek, B., Adamczyk, A., Xu, Y., Breitzke, H., Schweitzer, A., Gutmann, T., Wächtler, M., Frydel, J., Emmler, T., Amadeu, N., Tietze, D., Chaudret, B. Mechanism of dipolar ortho-/para-H2O conversion in ice. Z. Phys. Chem. 222, (2008), 1049-1063.
DOI: 10.1524.zpch.2008.5359