Publications

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Baligács, E., Carvalho, J. P., Nielsen, N. C. & Nielsen, A. B. (2026). Accordion-like tuning of composite pulse dipolar recoupling in solid-state NMR. Journal of Chemical Physics, 164(12), Artikel 124201. https://doi.org/10.1063/5.0318973

Vestrheim, O., Zhao, H., Nielsen, A. B., Wili, N., Nielsen, N. C., Lyons, J. A., Mookerjee, R. P. & Städler, B. (2026). A Lipid-Conjugation Strategy for Intracellular Reactive Oxygen Species Control in Hepatic Cells. Angewandte Chemie - International Edition, 65(33), Artikel e5582949. https://doi.org/10.1002/anie.5582949

Nie, S., Berillo, D., Steinacher, F., Nielsen, S. D., Sarkar, M., Røy, H., Skibsted, J. & Kjeldsen, K. U. (2026). A pH-Responsive Hydrogel for Bioactive Self-Healing Cementitious Materials. ACS Omega, 11(18), 26606-26615. https://doi.org/10.1021/acsomega.5c13085

Wang, J., Norgaard, T., Kisielius, V., Nielsen, A. B., Carvalho, P. N., Nielsen, N. C. & Wu, S. (2026). Biochar–calcium peroxide composite for sustained tebuconazole removal via adsorption and surface-mediated oxidative degradation. Journal of Hazardous Materials, 501, Artikel 140943. https://doi.org/10.1016/j.jhazmat.2025.140943

Nielsen, M. L. N., Lu, R., Marks, M. J., Shi, R., Mudring, A. V., Ceccato, M., Skibsted, J., Catalano, J. & Lock, N. (2026). Brave New Frameworks: Synthesis and Structural Properties of Novel Covalent Triazine Frameworks From Commercial Dicyanobenzenes for Photocatalytic Applications. ChemPlusChem, 91(7), Artikel e202500665. https://doi.org/10.1002/cplu.202500665

Kildahl, S. S., Kaussler, C., Ebenbauer, R., Bech, T. B., Giovanelli, R., Henriksen, M. L., Mithani, M., Uysal-Unalan, I., Juhl, D. W., Nielsen, N. C. & Skrydstrup, T. (2026). CO₂ capture with post-modified nitrile and styrene-butadiene-styrene rubbers. Chem, 12(6), Artikel 102918. https://doi.org/10.1016/j.chempr.2025.102918

Goodwin, D. L., Carvalho, J. P., Nielsen, A. B., Wili, N., Brinkmann, A., Vosegaard, T., Tošner, Z. & Nielsen, N. C. (2026). Extending numerical simulations in SIMPSON: Electron paramagnetic resonance, dynamic nuclear polarisation, propagator splitting, pulse transients, and quadrupolar cross terms. Journal of Magnetic Resonance Open, 27, Artikel 100218. https://doi.org/10.1016/j.jmro.2026.100218

Janewithayapun, R., Karlsson, H., Hedenqvist, M. S., Juhl, D. W., Vosegaard, T., Evenäs, L. & Ström, A. (2026). Impact of ring-opening chemistry on the local chain mobility of arabinoxylan. Carbohydrate Polymers, 392, Artikel 125873. https://doi.org/10.1016/j.carbpol.2026.125873

Jensen, F. V., Carvalho, J. P., Wili, N., Thomsen, A. H., Goodwin, D. L., Trottner, L., Strauch, C., Nielsen, A. B. & Nielsen, N. C. (2026). In situ learning-based spin engineering of pulsed dynamic nuclear polarization. Science Advances, 12(38), Artikel eaeh4467. https://doi.org/10.1126/sciadv.aeh4467

Afrough, A. & Vosegaard, T. (2026). Lifetime distribution of multiexponential recovery processes. Physical Review Applied, 25(3), Artikel 034020. https://doi.org/10.1103/v4pb-vvd2

Pendlmayr, S., Ryberg, C., Ramos-Docampo, M. A., Wilkens Juhl, D., Nielsen, N. C., Burdick, J. A. & Städler, B. (2026). Light-responsive 3D printed fish-shaped actuator based on granular hydrogel inks. Materials Today Chemistry, 52, Artikel 103364. https://doi.org/10.1016/j.mtchem.2026.103364

Carvalho, J. P., Nielsen, A. B., Goodwin, D. L., Wili, N. & Nielsen, N. C. (2026). Longitudinal Pulsed Dynamic Nuclear Polarization Transfer via Periodic Optimal Control. Journal of Physical Chemistry Letters, 17(9), 2517-2523. https://doi.org/10.1021/acs.jpclett.5c03708

Afrough, A., Andersen, P., Weihrauch, T. N. A., Juhl, D. W., Bakalis, S., Malmos, K. G. & Vosegaard, T. (2026). Mobility of lactose in Milk powders. Food Research International, 231 Part 2, Artikel 118724. https://doi.org/10.1016/j.foodres.2026.118724

Mascarin, L., Prigiobbe, V., Skibsted, J. & Valentini, L. (2026). Modeling the alkaline dissolution of metakaolinite. Cement and Concrete Research, 203, Artikel 108181. https://doi.org/10.1016/j.cemconres.2026.108181

Tolchard, J., Le Marchand, T., Aspers, R. L. E. G., Batta, G., Bechinger, B., Brath, U., Chasapi, S. A., Čikoš, A., Ecsedi, K., Favier, A., Ferreira, A. S. D., Fiala, R., Georgiopoulou, P. D., Gómez, J. S., Jaudzems, K., Karlsson, G., Kentgens, A. P. M., Lambregts, S. F. H., Morelli, F. ... Pintacuda, G. (2026). Moving NMR infrastructures to remote access capabilities. Progress in Nuclear Magnetic Resonance Spectroscopy, 152-153, Artikel 101595. https://doi.org/10.1016/j.pnmrs.2026.101595

Petrović, A., Lima, R. J. D. S., Hadaf, G. B., Lanza, A., Aalestrup, K., Olesen, K. L. L., Juhl, D. W., Nielsen, N. C., Adelodun, A. A., Bordallo, H. N., Daasbjerg, K. & Lee, J. W. (2026). Nonporous hydrophobic organic crystals for carbon dioxide capture via chain-melting phase transition. Nature Communications, 17(1), Artikel 2293. https://doi.org/10.1038/s41467-026-69006-x

Glaser, S. J., Koch, C., Nielsen, N. C., Sugny, D. & Suter, D. (2026). Optimal control of spin systems. Science Advances, 12(38), eaeh1978. Artikel eaeh1978. https://doi.org/10.1126/sciadv.aeh1978

Jhamnani, M., Redrouthu, V. S. R., Carvalho, J. P., Feldman, E., Nielsen, A. B., Kumar, P., Nielsen, N. C., Madhu, P. K. & Equbal, A. (2026). Quadrature-symmetric pulse scheme for robust quantum control beyond the ideal-pulse approximation. Physical Review Applied, 26(3), Artikel 034032. https://doi.org/10.1103/b4tk-xgl9

Mollick, S., Morgante, C., Christensen, A. K. R., Finkler, J. A., Youngman, R. E., Nielsen, A. B., Lu, R., Sørensen, S. S., Johansen, M., Karlsen, M. A., Stathopoulos, V. N., Lock, N., Nielsen, N. C., Boffa, V. & Smedskjaer, M. M. (2026). Selective Mineral Recovery from Seawater by Ion-Exchangeable Metal–Organic Framework Glasses. Journal of the American Chemical Society, 148(7), 7450-7459. https://doi.org/10.1021/jacs.5c20556

Baligács, E., Wili, N., Albuquerque de Carvalho, J. P., Nielsen, A. B. & Nielsen, N. C. (2026). Solid-State NMR Dipolar Recoupling in Presence of Large Chemical Shielding Anisotropies by Quaternion-Based Effective Hamiltonian Optimal Control. ArXiv. Advance online publication. https://arxiv.org/pdf/2607.13907

Baligács, E., Wili, N., Carvalho, J. P., Nielsen, A. B. & Nielsen, N. C. (2026). Solid-state NMR dipolar recoupling in the presence of large chemical shielding anisotropies by quaternion-based effective Hamiltonian optimal control. Physical Chemistry Chemical Physics. Advance online publication. https://doi.org/10.1039/d6cp02762h

Matschei, T., Braymand, S., Garg, N., Huet, B., Jansen, D., Myers, R. J., Scruggs, B., Bernard, E., Bertola, J., Cazacliu, B., Ellwood, L., Felten, C., Ferrara, G., Garboczi, E., Gholizadeh Vayghan, A., Hafez, H., Hanein, T., Kanavaris, F., Mahoutian, M. ... Suraneni, P. (2026). Test methods for CO₂ mineralization in cement-based materials: A review by RILEM TC 309-MCP. Materials and Structures/Materiaux et Constructions, 59(4), Artikel 175. https://doi.org/10.1617/s11527-026-03064-x

Heidarizadeh, M., Afrough, A., Ma, Y., Nygaard, J. V., Vosegaard, T., Eser, B. E. & Sutherland, D. S. (2026). Thermal compartments for efficient coupling of thermally incompatible enzymes into Cascade reactions via plasmonic photothermal conversion in hydrogels. Journal of Colloid and Interface Science, 728, 141729. Advance online publication. https://doi.org/10.1016/j.jcis.2026.141729

Song, J., Lothenbach, B., Zajac, M. & Skibsted, J. (2026). Thermodynamic properties of alumina-silica gels in cementitious materials. Cement and Concrete Research, 210, Artikel 108403. https://doi.org/10.1016/j.cemconres.2026.108403

Thomsen, R. M., Nie, S., Lothenbach, B., Jensen, L. R., Nielsen, A. H., Skibsted, J. & Yue, Y. (2025). A connection between structure and reactivity in alkali-modified calcium aluminosilicate glasses for sustainable cements. Journal of Non-Crystalline Solids, 665, Artikel 123606. https://doi.org/10.1016/j.jnoncrysol.2025.123606

Jensen, R. W. M. & Skibsted, J. (2025). Aqueous Carbonation of Calcium Silicates With Different Ca/Si Ratios Studied by Solid-State NMR Spectroscopy. Magnetic Resonance in Chemistry, 63(7), 476-494. https://doi.org/10.1002/mrc.5528

Nielsen, M. L. N., Sharma, R., Ceccato, M., Marks, M. J., Frank, S., Skibsted, J., Catalano, J. & Lock, N. (2025). A tale of two syntheses: a comparative study of the physical and photocatalytic properties of covalent triazine frameworks (CTFs). Nanoscale, 17(42), 24669-24681. https://doi.org/10.1039/d5nr02635k

Afrough, A., Pérez-Mendigorri, M. & Vosegaard, T. (2025). Automated Data Processing Workflows for Non-Expert Users of NMR Facilities. Magnetic Resonance in Chemistry, 63(8), 604-612. https://doi.org/10.1002/mrc.5540

Carvalho, J. P., Nielsen, A. B., Baligács, E., Wili, N. & Nielsen, N. C. (2025). Bridging Dynamic Nuclear Polarization and Solid-State NMR Dipolar Recoupling: From Static Single Crystal to Spinning Powders. The Journal of Physical Chemistry Letters, 16(17), 4363-4371. https://doi.org/10.1021/acs.jpclett.5c00617

Maia Neto, F. & Skibsted, J. (2025). Characterization of aqueous carbonated cement-based materials by multinuclear solid-state NMR spectroscopy. Journal of Sustainable Cement-Based Materials, 14(6), 1191-1206. https://doi.org/10.1080/21650373.2025.2495142

Cao, F., Sørensen, S. S., Christensen, A. K. R., Mollick, S., Ge, X., Sun, D., Nielsen, A. B., Nielsen, N. C., Lock, N., Lu, R., Klemmt, R., Kristensen, P. K., Jensen, L. R., Dallari, F., Baglioni, J., Monaco, G., Karlsen, M. A., Baran, V. & Smedskjaer, M. M. (2025). Continuous structure modification of metal-organic framework glasses via halide salts. Nature Communications, 16(1), Artikel 7001. https://doi.org/10.1038/s41467-025-62143-9

Nielsen, A. B., Carvalho, J. P., Wili, N., Jensen, F. V., Goodwin, D. L., Untidt, T. S., Tošner, Z. & Nielsen, N. C. (2025). Controlling effective Hamiltonians: Broadband pulsed dynamic nuclear polarization by constrained random walk and non-linear optimization. The Journal of Chemical Physics, 163(14), Artikel 144111. https://doi.org/10.1063/5.0287050

Koppe, J., Yakimov, A. V., Gioffrè, D., Usteri, M. E., Vosegaard, T., Pintacuda, G., Lesage, A., Pell, A. J., Mitchell, S., Pérez-Ramírez, J. & Copéret, C. (2025). Coordination environments of Pt single-atom catalysts from NMR signatures. Nature, 642(8068), 613-619. https://doi.org/10.1038/s41586-025-09068-x

Kristensen, L. R., Herrmann, G. J., Skibsted, J. & Jensen, T. R. (2025). Effect of Mechanical Pressure on the Ionic Conductivity of Sodium Dodecahydrido-closo-dodecaborate. ACS Materials Letters, 7(3), 990-995. https://doi.org/10.1021/acsmaterialslett.4c02153

Song, J., Zajac, M., Haha, M. B. & Skibsted, J. (2025). Impact of Ca/Si and Al/Si ratios on the composition and structure of the alumina-silica gel formed by wet carbonation of synthesized C-S-H in blends with portlandite and ettringite. Cement and Concrete Research, 197, Artikel 107931. https://doi.org/10.1016/j.cemconres.2025.107931

Stropp, J., Wili, N., Nielsen, N. C. & Klose, D. (2025). Increased sensitivity in electron-nuclear double resonance spectroscopy with chirped radiofrequency pulses. Magnetic Resonance, 6(1), 33-42. https://doi.org/10.5194/mr-6-33-2025

Gothelf, K. V., Kjems, J., Otzen, D. E., Nielsen, N. C., Hornekær, L., Zelikin, A., Pedersen, J. S., Vorup-Jensen, T. & Sutherland, D. S. (2025). Ingen reel mulighed for medarbejdere for at gøre indsigelse mod ledelsens beslutning om at afvikle iNANO. Omnibus, 2025(Juni). https://omnibus.au.dk/arkiv/vis/artikel/aabent-brev-medarbejdere-er-sat-uden-for-indflydelse-i-ledelsens-beslutning-om-at-afvikle-inano

Carvalho, J. P., Nielsen, A. B., Goodwin, D. L., Wili, N. & Nielsen, N. C. (2025). Longitudinal Pulsed Dynamic Nuclear Polarization Transfer via Periodic Optimal Control.

Carvalho, J. P., Goodwin, D. L., Wili, N., Nielsen, A. B. & Nielsen, N. C. (2025). Optimal control design strategies for pulsed dynamic nuclear polarization. The Journal of Chemical Physics, 162(5), Artikel 054111. https://doi.org/10.1063/5.0244723

Poderyte, M., Lima, R., Golbækdal, P. I., Juhl, D. W., Olesen, K. L., Nielsen, N. C., Lanza, A. & Lee, J.-W. (2025). Repurposing polyethylene terephthalate plastic waste to capture carbon dioxide. Science Advances, 11(36), 1-9. https://doi.org/10.1126/sciadv.adv5906

Grinderslev, J. B., Skibsted, J. & Jensen, T. R. (2025). The Effects of Nanoconfinement in LiBH₄·1/2CH₃NH₂-Al₂O₃ Composites. ACS Applied Energy Materials, 8(1), 298-305. https://doi.org/10.1021/acsaem.4c02360

Coulon, R., Gajan, D., Papawassiliou, W., Pell, A. J., Schlagnitweit, J., Fayon, F., Florian, P., Massiot, D., Afrough, A., Juhl, D. W., Vosegaard, T., Cerofolini, L., Lelli, M., Lucci, M., Luchinat, C., Aspers, R. L. E. G., Gómez, J. S., Kentgens, A. P. M., Lambregts, S. F. H. ... Lesage, A. (2025). Transforming solid-state nuclear magnetic resonance towards a chemistry-ready technique. Solid State Nuclear Magnetic Resonance, 140, Artikel 102048. https://doi.org/10.1016/j.ssnmr.2025.102048

Hu, Q., Sitsel, O., Bågenholm, V., Grønberg, C., Lyu, P., Pii Svane, A. S., Andersen, K. R., Laursen, N. S., Meloni, G., Nissen, P., Juhl, D. W., Nielsen, J. T., Nielsen, N. C. & Gourdon, P. (2025). Transition metal transporting P-type ATPases: terminal metal-binding domains serve as sensors for autoinhibitory tails. FEBS journal, 292(7), 1654-1674. https://doi.org/10.1111/febs.17330

Bregnhøj, M., Wili, N., Nielsen, A. B., Jensen, S. J. K., Nørnberg, P., Nielsen, N. C., Skibsted, J. & Finster, K. (2025). Triboelectrically Mediated Surface Reduction of Quartz Sand by Tumbling in Hydrogen Gas. Journal of Physical Chemistry C, 129(24), 10900-10910. https://doi.org/10.1021/acs.jpcc.5c02082

Larsen, E. M. H., Brock-Nannestad, T., Skibsted, J., Reinholdt, A. & Bendix, J. (2024). A homoleptic Ag^III complex stabilized by succinimidate ligands. Chemical Science, 15(43), 18067-18075. https://doi.org/10.1039/d4sc04843a

Nie, S. & Skibsted, J. (2024). Aluminum distribution in C-(A)-S-H and calcium aluminate hydrate phases of Portland cement – metakaolin – limestone blends studied by ²⁷Al and ²⁹Si NMR spectroscopy. Cement and Concrete Research, 186, Artikel 107664. https://doi.org/10.1016/j.cemconres.2024.107664

Mamakhel, A., Kløve, M., Bondesgaard, M., Christiansen, T. L., Pedersen, S. U., Skibsted, J. & Iversen, B. B. (2024). Amphoteric SnO₂ nanoparticles via pH-controlled continuous flow solvothermal synthesis. Journal of Supercritical Fluids, 212, Artikel 106341. https://doi.org/10.1016/j.supflu.2024.106341

Mariz Maia Neto, F., Snellings, R. & Skibsted, J. (2024). Aqueous carbonation of aged blended Portland cement pastes: Impact of the Al/Si ratio on the structure of the alumina-silica gel. Cement and Concrete Research, 177, Artikel 107428. https://doi.org/10.1016/j.cemconres.2024.107428

Hundebøl, B. N. R. G., Rohde, P. D., Kristensen, T. N., Jensen, R. W. M., Vosegaard, T. & Sørensen, J. G. (2024). Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila melanogaster. Insects, 15(10), Artikel 763. https://doi.org/10.3390/insects15100763

Bakalis, S., Vosegaard, T., Afrough, A. & Malmos, K. G. (2024). Designing Powder Products: A New Take on an Old Problem. Abstract fra Food Physics 2024, London, Storbritannien.

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