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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Vosegaard, T., Florian, P., Grandinetti, P. J. & Massiot, D. (2000). Pure absorption-mode spectra using a modulated RF mixing period in MQMAS experiments. Journal of Magnetic Resonance, 143, 217-222.

Çelik, S. Ü., Akbey, Ü. ., Bozkurt, A., Graf, R. & Spiess, H. W. (2008). Proton-conducting properties of acid-doped poly(glycidyl methacrylate)-1,2,4-triazole systems. Macromolecular Chemistry and Physics, 209(6), 593-603. https://doi.org/10.1002/macp.200700457

Meissner, A., Moskau, D., Nielsen, N. C. & Sørensen, O. W. (1997). Proton-Detected¹³C-¹³C Double-Quantum Coherence. Journal of Magnetic Resonance, 124(1), 245-249.

Sezgin, A., Akbey, Ü., Graf, R., Bozkurt, A. & Baykal, A. (2009). Proton conductivity survey of the acid doped copolymers based on 4-vinylbenzylboronic acid and 4(5)-vinylimidazole. Journal of Polymer Science. Part B, Polymer Physics, 47(13), 1267-1274. https://doi.org/10.1002/polb.21731

Wood, K., Gallat, F-X., Otten, R., van Heel, A. J., Lethier, M., van Eijck, L., Moulin, M., Haertlein, M., Weik, M. & Mulder, F. A. A. (2013). Protein Surface and Core Dynamics Show Concerted Hydration-Dependent Activation. Angewandte Chemie International Edition, 52(2), 665-668. https://doi.org/10.1002/anie.201205898

Nied, D., Enemark-Rasmussen, K., L'Hopital, E., Skibsted, J. & Lothenbach, B. (2016). Properties of magnesium silicate hydrates (M-S-H). Cement and Concrete Research, 79, 323-332. https://doi.org/10.1016/j.cemconres.2015.10.003

Harings, J. A. W., Deshmukh, Y. S., Rastogi, S., Hansen, M. R. & Graf, R. (2012). Processing of polyamides in the presence of water via hydrophobic hydration and ionic interactions. Macromolecules, 45(14), 5789-5797. https://doi.org/10.1021/ma300459q

Sommer, S., Bøjesen, E. D., Lock, N., Kasai, H., Skibsted, J., Nishibori, E. & Iversen, B. B. (2020). Probing the validity of the spinel inversion model: a combined SPXRD, PDF, EXAFS and NMR study of ZnAl₂O₄. Dalton Transactions, 49(38), 13449-13461. https://doi.org/10.1039/d0dt02795b

Niedzialek, D., Lemaur, V., Dudenko, D., Shu, J., Hansen, M. R., Andreasen, J. W., Pisula, W., Müllen, K., Cornil, J. & Beljonne, D. (2013). Probing the Relation Between Charge Transport and Supramolecular Organization Down to the Angström Resolution in a Benzothiadiazolecyclopentadithiophene Copolymer. Advanced Materials, 25(13), 1939-1947. https://doi.org/10.1002/adma.201201058

Skrynnikov, N. R., Mulder, F. A. A., Hon, B., Dahlquist, F. W. & Kay, L. E. (2001). Probing slow time scale dynamics at methyl-containing side chains in proteins by relaxation dispersion NMR measurements: Application to methionine residues in a cavity mutant of T4 lysozyme. Journal of the American Chemical Society, 123(19), 4556-4566. https://doi.org/10.1021/ja004179p

Otten, R., Villali, J., Kern, D. & Mulder, F. A. A. (2010). Probing microsecond time scale dynamics in proteins by methyl ¹H Carr-Purcell-Meiboom-Gill relaxation dispersion NMR measurements. Application to activation of the signaling protein NtrC^r. Journal of the American Chemical Society, 132(47), 17004-17014. https://doi.org/10.1021/ja107410x

Ali, A. A. A. I., Hoffmann, F., Schäfer, L. V. & Mulder, F. A. . A. (2022). Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.2c00568

Hove, A. R., Bildsøe, H. K., Skibsted, J. B., Brorson, M. & Jakobsen, H. J. (2006). Probing Crystal Structures and Transformation Reactions of Ammonium Molybdates by ¹⁴N MAS NMR Spectroscopy. Inorg. Chem., 45, 10873-10881.

Kosicka, I., Kristensen, T., Bjerring, M., Thomsen, K., Scavenius, C., Enghild, J. J. & Nielsen, N. C. (2014). Preparation of Uniformly 13C,15N-Labeled Recombinant Human Amylin for Solid-State NMR Investigation. Protein Expression and Purification, 99, 119-130. https://doi.org/10.1016/j.pep.2014.04.002

Hoffmann, F., Mulder, F. A. A. & Schäfer, L. V. (2020). Predicting NMR relaxation of proteins from molecular dynamics simulations with accurate methyl rotation barriers. Journal of Chemical Physics, 152(8), [084102]. https://doi.org/10.1063/1.5135379

Nagaraj, M., Ahmed, M., Lyngsø, J., Vad, B. S., Bøggild, A., Fillipsen, A., Pedersen, J. S., Otzen, D. E. & Akbey, Ü. (2020). Predicted Loop Regions Promote Aggregation: A Study of Amyloidogenic Domains in the Functional Amyloid FapC. Journal of Molecular Biology, 432(7), 2232-2252. https://doi.org/10.1016/j.jmb.2020.01.044

Akbey, U., Rossum, B. J. V. B. J. V. & Oschkinat, H. H. (2012). Practical aspects of high-sensitivity multidimensional 13C MAS NMR spectroscopy of perdeuterated proteins. Journal of Magnetic Resonance, 217, 77-85. https://doi.org/10.1016/j.jmr.2012.02.015

Garg, N., Enemark-Rasmussen, K., Dai, Z. & Skibsted, J. (2015). Pozzolanic reactivity of thermally activated kaolinite and montmorillonite in Portland cement blends and their impact on the formed C-S-H phase. In ICCC 2015 Beijing : the 14th international congress on the chemistry of cement, 13-16 October, 2015: Abstract Book vol. 1 (pp. 272)

Hollanders, S., Adriaens, R., Skibsted, J., Cizer, Ö. & Elsen, J. (2016). Pozzolanic reactivity of pure calcined clays. Applied Clay Science, 132-133, 552-560. https://doi.org/10.1016/j.clay.2016.08.003

Garg, N. & Skibsted, J. (2016). Pozzolanic reactivity of a calcined interstratified illite/smectite (70/30) clay. Cement and Concrete Research, 79, 101-111. https://doi.org/10.1016/j.cemconres.2015.08.006

Kurnik, M., Sahin, C., Andersen, C. B., Lorenzen, N., Giehm, L., Mohammad-Beigi, H., Jessen, C. M., Pedersen, J. S., Christiansen, G., Petersen, S. V., Staal, R., Krishnamurthy, G., Pitts, K., Reinhart, P. H., Mulder, F. A. A., Mente, S., Hirst, W. D. & Otzen, D. E. (2018). Potent α-Synuclein Aggregation Inhibitors, Identified by High-Throughput Screening, Mainly Target the Monomeric State. Cell Chemical Biology, 25(11), 1389-1402. https://doi.org/10.1016/j.chembiol.2018.08.005

Grinderslev, J. B., Moller, K. T., Yan, Y., Chen, X-M., Li, Y., Li, H-W., Zhou, W., Skibsted, J., Chen, X. & Jensen, T. R. (2019). Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor. Dalton Transactions, 48(24), 8872-8881. https://doi.org/10.1039/c9dt00742c

Møller, K. T., Jørgensen, M., Andreasen, J. G., Skibsted, J., Łodziana, Z., Filinchuk, Y. & Jensen, T. R. (2017). Potassium Tetraamidoboranealuminate, K[Al(NH2BH3)4]: Synthesis, Characterization and Thermal Decomposition.. Poster session presented at Hydrogen-Metal Systems Gordon Research Conference 2017, Eastern, Massachusetts, United States.

Bertram, H. C., Jakobsen, H. J., Andersen, H. J., Karlsson, A. H. & Engelsen, S. B. (2003). Post-mortem Changes in Porcine M. Longissimus Studied by Solid-State 13C Cross-Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy. J. Agri. Food Chem., 51, 2064-2069.

Bjerring, M., Nielsen, J. S., Nielsen, N. C. & Krebs, F. C. (2007). Polythiophene by solution processing. Macromolecules, 40, 6012-6013. https://doi.org/10.1021/ma071200z

Ghodke, S. D., Jensen, G. V., Svane, A. S. P., Weise, K., Søndergaard, A., Behrens, M. A., Pedersen, J. S., Nielsen, N. C., Pedersen, J. S., Winter, R. & Otzen, D. (2014). Polymorphism, metastable species and interconversion: the many states of glucagon fibrils. In V. Uversky & Y. Lyubchenko (Eds.), Bio-nanoimaging: Protein misfolding and aggregation (pp. 373-386). Elsevier. https://doi.org/10.1016/B978-0-12-394431-3.00034-1

Zhou, C., Grinderslev, J., Skov, L. N., Jørgensen, M., Li, Y., Skibsted, J., Yan, Y. & Jensen, T. R. (2022). Polymorphism, ionic conductivity and electrochemical properties of lithium closo-deca- and dodeca-borates and composites, Li₂B₁₀H₁₀ - Li₂B₁₂H₁₂. Journal of Materials Chemistry A, 10(30), 16137-16151.

Andreasen, M., Nielsen, S. B., Runager, K., Christiansen, G., Nielsen, N. C., Enghild, J. J. & Otzen, D. (2012). Polymorphic Fibrillation of the Destabilized Fourth Fasciclin-1 Domain Mutant A₅₄6T of the Transforming Growth Factor-β-induced Protein (TGFBIp) Occurs through Multiple Pathways with Different Oligomeric Intermediates. Journal of Biological Chemistry, 287(41), 34730-34742. https://doi.org/10.1074/jbc.M112.379552

Huang, Y., Mai, Y., Beser, U., Teyssandier, J., Velpula, G., van Gorp, H., Straaso, L. A., Hansen, M. R., Rizzo, D., Casiraghi, C., Yang, R., Zhang, G., Wu, D., Zhang, F., Yan, D., De Feyter, S., Muellen, K. & Feng, X. (2016). Poly(ethylene oxide) Functionalized Graphene Nanoribbons with Excellent Solution Processability. Journal of the American Chemical Society, 138(32), 10136-10139. https://doi.org/10.1021/jacs.6b07061

Vu-Quang, H., Vinding, M. S., Nielsen, T., Ullisch, M. G., Nielsen, N. C., Nguyen, D. T. & Kjems, J. (2019). Pluronic F127-folate coated super paramagenic iron oxide nanoparticles as contrast agent for cancer diagnosis in magnetic resonance imaging. Polymers, 11(4), [743]. https://doi.org/10.3390/polym11040743

Jensen, T. R., Jørgensen, L., Wiedermann, A., Jørgensen, J-E., Hazell, R. G. & Jakobsen, H. J. (2007). Piperazinium dihydrogen phosphate, C₄H₁₂N₂(H₂PO₄)₂: Synthesis, ³¹P CP/MAS NMR, structural and thermal investigations . Solid State Sciences, 9, 72-81.

Thomsen, R. M., Garzón, S. F., Herfort, D., Skibsted, J. & Yue, Y. (2017). Physical performances of alkali-activated portland cement-glass-limestone blends. Journal of the American Ceramic Society, 100(9), 4159-4172. https://doi.org/10.1111/jace.14955

Erdogan, D. A., Sevim, M., Kısa, E., Emiroglu, D. B., Karatok, M., Vovk, E. I., Bjerring, M., Akbey, Ü., Metin, Ö. & Ozensoy, E. (2016). Photocatalytic Activity of Mesoporous Graphitic Carbon Nitride (mpg-C₃N₄) Towards Organic Chromophores Under UV and VIS Light Illumination. Topics in Catalysis, 59(15), 1305-1318. https://doi.org/10.1007/s11244-016-0654-3

Jakobsen, H. J., Skibsted, J., Kristensen, M. & Zauner, D. A. (2001). Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Applied Physics, 89, 4134-4138.

Gubbels, E., Jasinska-Walc, L., Hermida-Merino, D., Hansen, M. R., Noordover, B., Spoelstra, A., Goossens, H. & Koning, C. (2014). Phase separation in poly(butylene terephthalate)-based materials prepared by solid-state modification. Polymer, 55(16), 3801-3810. https://doi.org/10.1016/j.polymer.2014.05.051

Dai, Z., Kunther, W., Ferreiro, S., Herfort, D. & Skibsted, J. (2015). Phase assemblages in hydrated Portland cement, calcined clay and limestone blends from solid-state ²⁷Al and ²⁹Si MAS NMR, XRD, and thermodynamic modeling. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 109-115). Springer. RILEM Bookseries Vol. 10 https://doi.org/10.1007/978-94-017-9939-3_14

Zajac, M., Skibsted, J., Skocek, J., Durdzinski, P., Bullerjahn, F. & Ben Haha, M. (2020). Phase assemblage and microstructure of cement paste subjected to enforced, wet carbonation. Cement and Concrete Research, 130(April), [105990]. https://doi.org/10.1016/j.cemconres.2020.105990

Jensen, S., Jepsen, L., Skibsted, J. & Jensen, T. R. (2016). Phase Diagram for the NaBH₄−KBH₄ System and the Stability of a Na_1−xK_xBH₄ Solid Solution. Poster session presented at iNANO annual meeting 2016, Aarhus, Denmark.

Jensen, S. R. H., Jepsen, L. H., Skibsted, J. & Jensen, T. R. (2015). Phase Diagram for the NaBH₄-KBH₄ System and the Stability of a Na_1-xK_xBH₄ Solid Solution. The Journal of Physical Chemistry Part C, 119(50), 27919-27929. https://doi.org/10.1021/acs.jpcc.5b09851

Thøgersen, L., Schiøtt, B., Vosegaard, T., Nielsen, N. C. & Tajkhorshid, E. (2008). Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal, 95(9), 4337-4347. https://doi.org/10.1529/biophysj.108.133330

Tamiola, K., Scheek, R. M., Van Der Meulen, P. & Mulder, F. A. A. (2018). PepKalc: Scalable and comprehensive calculation of electrostatic interactions in random coil polypeptides. Bioinformatics, 34(12), 2053-2060. https://doi.org/10.1093/bioinformatics/bty033

Dass, R. & Mulder, F. A. A. (2020). Paris-DÉCOR: A Protocol for the Determination of Fast Protein Backbone Amide Hydrogen Exchange Rates. In B. B. Kragelund & K. Skriver (Eds.), Intrinsically Disordered Proteins (pp. 337-344). Humana Press. Methods in Molecular Biology Vol. 2141 https://doi.org/10.1007/978-1-0716-0524-0_17

Vad, B. S., Bertelsen, K., Johansen, C. H., Pedersen, J. M., Skrydstrup, T., Nielsen, N. C. & Otzen, D. E. (2010). Pardaxin permeabilizes vesicles more efficiently by pore formation than by disruption. Biophysical Journal, 98(4), 576-85. https://doi.org/10.1016/j.bpj.2009.08.063

Equbal, A., Madhu, P. K., Meier, B. H., Nielsen, N. C., Ernst, M. & Agarwal, V. (2017). Parameter independent low-power heteronuclear decoupling for fast magic-angle spinning solid-state NMR. Journal of Chemical Physics, 146(8), [139901]. https://doi.org/10.1063/1.4979997, https://doi.org/10.1063/1.4976997

Mäler, L., Mulder, F. A. A. & Kowalewski, J. (1995). Paramagnetic Cross-Correlation Effects in the Longitudinal Proton Relaxation ofcis-Chloroacrylic Acid in the Presence of Nickel(II) Ions. Journal of Magnetic Resonance, 117(2), 220-227. https://doi.org/10.1006/jmra.1995.0734

Nielsen, I. G., Sommer, S., Dippel, A. C., Skibsted, J. & Iversen, B. B. (2021). Pair distribution function and⁷¹Ga NMR study of aqueous Ga³⁺complexes. Chemical Science, 12(43), 14420-14431. https://doi.org/10.1039/d1sc05190c

Nielsen, J. T. & Mulder, F. A. A. (2018). POTENCI: prediction of temperature, neighbor and pH-corrected chemical shifts for intrinsically disordered proteins. Journal of Biomolecular NMR, 70(3), 141-165. https://doi.org/10.1007/s10858-018-0166-5

Lindman, S., Bauer, M. C., Lund, M., Diehl, C., Mulder, F. A. A., Akke, M. & Linse, S. (2010). PK_a values for the unfolded state under native conditions explain the pH-dependent stability of PGB1. Biophysical Journal, 99(10), 3365-3373. https://doi.org/10.1016/j.bpj.2010.08.078

Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the high-frequency resonances in 1H NMR spectra of muscle tissue: an in vitro slow magic-angle spinning study. J. Agric. Food Chem., 53, 3229-3234.

Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the High-Frequency Resonances in ¹H NMR Spectra of Muscle Tissue: An in Vitro Slow Magic-Angle Spinning Study. J. Agric. Food Chem., 53, 3229-3234.

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Lise Refstrup Linnebjerg Pedersen