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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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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

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

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. 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), Article 105990. https://doi.org/10.1016/j.cemconres.2020.105990

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. 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), Article 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

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. Journal of Agricultural and Food Chemistry, 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. Journal of Agricultural and Food Chemistry, 53, 3229-3234.

Mulder, F. A. A., Otten, R. & Scheek, R. M. (2011). Origin and removal of mixed-phase artifacts in gradient sensitivity enhanced heteronuclear single quantum correlation spectra. Journal of Biomolecular N M R, 51(1-2), 199-207. https://doi.org/10.1007/s10858-011-9554-9

Warnan, J., Cabanetos, C., Labban, A. E., Hansen, M. R., Tassone, C., Toney, M. F. & Beaujuge, P. M. (2014). Ordering Effects in Benzo[1,2-b:4,5-b']difuran-Thieno[3,4-c]pyrrole-4,6-dione Polymers with >7% Solar Cell Efficiency. Advanced Materials, 26(25), 4357-4362. https://doi.org/10.1002/adma.201305344

Untidt, T., Schulte-Herbrüggen, T., Sørensen, O. W. & Nielsen, N. C. (1999). Optimum α/β-HSQC pulse sequences for coherence-order-; spin-state-selective transfer in I₂S spin systems. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 8921-8926.

Akbey, Ü., Lange, S., Trent Franks, W., Linser, R., Rehbein, K., Diehl, A., Van Rossum, B. J., Reif, B. & Oschkinat, H. (2010). Optimum levels of exchangeable protons in perdeuterated proteins for proton detection in MAS solid-state NMR spectroscopy. Journal of Biomolecular N M R, 46(1), 67-73. https://doi.org/10.1007/s10858-009-9369-0

Oktaviani, N. A., Risør, M. W., Lee, Y.-H., Megens, R. P., de Jong, D. H., Otten, R., Scheek, R. M., Enghild, J. J., Nielsen, N. C., Ikegami, T. & Mulder, F. A. A. (2015). Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide. Journal of Biomolecular N M R, 62(2), 129-142. https://doi.org/10.1007/s10858-015-9925-8

Sørensen, J. J. W. H., Nyemann, J. S., Motzoi, F., Sherson, J. & Vosegaard, T. (2020). Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei. Journal of Chemical Physics, 152(5), Article 054104. https://doi.org/10.1063/1.5141384

Vigna, E. & Skibsted, J. (2015). Optimization of alkali activated Portland cement – calcined clay blends based on the phase assemblage in the Na₂O-CaO-Al₂O₃-SiO₂-H₂O system. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 101-107). Springer. https://doi.org/10.1007/978-94-017-9939-3_13

Grombacher, D. J., Vinding, M. S., Vosegaard, T. & Auken, E. (2016). Optimal control to design pulses providing high SNR and sharp resolution in geophysical surface NMR. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

Vinding, M. S., Maximov, I., Tosner, Z., Jespersen, S. N. & Nielsen, N. C. (2011). Optimal Control Theory in Magnetic Resonance Imaging: Global Optima for 2DRF pulses. Poster session presented at 32nd Annual Danish NMR Meeting, Korsør, Denmark.

Laustsen, C., Bowen, S., Vinding, M. S., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2012). Optimal Control Singlet State Storage of hyperpolarized compounds. In Optimal Control Singlet State Storage of hyperpolarized compounds

Laustsen, C., Bowen, S., Vinding, M. S., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2013). OPTIMAL CONTROL SINGLET STATE STORAGE FOR CLINICAL MR SYSTEMS. Abstract from ISMRM 2013, Salt Lake City, United States.

Nielsen, N. C., Kehlet, C., Glaser, S. J. & Khaneja, N. (2010). Optimal control methods in NMR. In Encyclopedia of Magnetic Resonance John Wiley & Sons Ltd. https://doi.org/10.1002/9780470034590.emrstm1043

Tosner, Z., Vosegaard, T., Kehlet, C., Khaneja, N., Glaser, S. & Nielsen, N. C. (2009). Optimal control in NMR spectroscopy: Numerical implementation in SIMPSON. Journal of Magnetic Resonance, 197, 120-134. https://doi.org/10.1016/j.jmr.2008.11.020

Kehlet, C., Tosner, Z., Nielsen, A. B., Bjerring, M., Nielsen, J. T., Vinding, M. S., Vosegaard, T., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2009). Optimal Control in NMR Spectroscopy: Implementation into SIMPSON and Novel Experiments for Biological Solid-State NMR. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

Bretschneider, C. O., Nielsen, N. C., Karabanov, A. & Kockenberger, W. (2009). Optimal Control Design of Parahydrogen Induced Polarisation Experiments. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, United States.

Maximov, I., Tosner, Z. & Nielsen, N. C. (2008). Optimal control design of NMR and dynamic nuclear polarization experiments using monotonically convergent algorithms. Journal of Chemical Physics, 128, 184505. https://doi.org/10.1063/1.2903458

Kehlet, C., Bjerring, M., Sivertsen, A. C., Kristensen, T., Enghild, J. J., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2007). Optimal control based NCO and NCA experiments for spectral assignment in biological solid-state NMR spectroscopy. Journal of Magnetic Resonance, 188(2), 216-230. https://doi.org/10.1016/j.jmr.2007.06.011

Hansen, J. Ø., Kehlet, C., Bjerring, M., Vosegaard, T., Glaser, S., Khaneja, N. & Nielsen, N. C. (2007). Optimal control based design of composite dipolar recoupling experiments by analogy to single-spin inversion pulses. Chemical Physics Letters, 447, 154-161. https://doi.org/10.1016/j.cplett.2007.08.072

Wei, D., Akbey, U., Jensen, B. P., Oschkinat, H., Reif, B., Bjerring, M. & Nielsen, N. C. (2011). Optimal 2H rf pulses and 2H-13C cross-polarization methods for solid-state 2H MAS NMR of perdeuterated proteins. The Journal of Physical Chemistry Letters, 2(11), 1289-1294. https://doi.org/10.1021/jz200511b

Nielsen, S. D., Paegle, I., Borisov, S. M., Kjeldsen, K. U., Røy, H., Skibsted, J. & Koren, K. (2019). Optical sensing of ph and o₂ in the evaluation of bioactive self-healing cement. ACS Omega, 4(23), 20237-20243. https://doi.org/10.1021/acsomega.9b02541

Demir, M. M., Koynov, K., Akbey, U., Bubeck, C., Park, I., Lieberwirth, I. & Wegner, G. (2007). Optical properties of composites of PMMA and surface-modified zincite nanoparticles. Macromolecules, 40(4), 1089-1100. https://doi.org/10.1021/ma062184t

Bretschneider, C. O., Akbey, Ü., Aussenac, F., Olsen, G. L., Feintuch, A., Oschkinat, H. & Frydman, L. (2016). On The Potential of Dynamic Nuclear Polarization Enhanced Diamonds in Solid-State and Dissolution (13) C NMR Spectroscopy. ChemPhysChem, 17(17), 2691-2701. https://doi.org/10.1002/cphc.201600301

Sørensen, M. K., Balsgart, N. M., Beyer, M., Jensen, O. N. & Nielsen, N. C. (2022). On-Site Measurement of Fat and Protein Contents in Milk Using Mobile NMR Technology. Molecules, 27(3), Article 583. https://doi.org/10.3390/molecules27030583

Sobhani, S., Zarifi, F. & Skibsted, J. (2016). One-pot synthesis of terminal vinylphosphonates catalyzed by pyridine grafted GO as reusable acid-base bifunctional catalyst. ChemistrySelect, 1(11), 2945-2951. https://doi.org/10.1002/slct.201600517

Dass, R., Mulder, F. A. A. & Nielsen, J. T. (2020). ODiNPred: comprehensive prediction of protein order and disorder. Scientific Reports, 10(1), Article 14780. https://doi.org/10.1038/s41598-020-71716-1

Larsen, F. H., Rasmussen, T., Pedersen, W. B., Nielsen, N. C. & Jakobsen, H. J. (1999). Observation of immobile regions in natural rubber at ambient temperature by solid-state ¹³C CP/MAS NMR spectroscopy. Polymer, 40, 7013-7017.

Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In M. A.E. & T. Polenova (Eds.), Solid-State NMR of Biopolymers (pp. 377-394). John Wiley & Sons Ltd.

Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In Encyclopedia of Magnetic Resonance Wiley. https://doi.org/10.1002/9780470034590.emrstm1097

Sivertsen, A. C., Bjerring, M., Kehlet, C. T., Vosegaard, T. & Nielsen, N. C. (2005). Numerical Simulations in Biological Solid-State NMR Spectroscopy. Ann. R. NMR. S., 54, 243-293.

Bak, M., Schultz, R., Nielsen, N. C., Kiihne, S. (Ed.) & deGroot, H. J. M. (Ed.) (2001). Numerical simulations for experiment design and extraction of structural parameters in biological solid-state NMR spectroscopy. In Perspectives of Solid-State NMR in Biology (pp. 95-110). Kluwer Academic Publishers.

Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. In J. Bensted & P. B. (Eds.), Structure and Performance of Cements (2. ed., pp. 457-476). Spon press.

Kirkegaard, K., Svane, A. S. P., Nielsen, J. S., Hindkjær, J. J., Nielsen, N. C. & Ingerslev, H. J. (2014). Nuclear magnetic resonance metabolomic profiling of Day 3 and 5 embryo culture medium does not predict pregnancy outcome in good prognosis patients: a prospective cohort study on single transferred embryos. Human reproduction (Oxford, England), 29(11), 2413-20. https://doi.org/10.1093/humrep/deu236

Displaying results 301 to 350 out of 887

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Lise Refstrup Linnebjerg Pedersen