Publikationer

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Publikationer fra Institut for Kemi

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Zou, Y. B., Zheng, A. C., Feng, L. H., Du, L., Daasbjerg, K. & Hu, X. M. (2025). Integrated capture and electrochemical conversion of CO₂ from flue gas mediated by carbonate/ bicarbonate cycle. Journal of Materials Chemistry A, 13(42), 36191–36201. https://doi.org/10.1039/d5ta06577a

Bonde, A., Jakobsen, J. B., Ahrens, A., Huang, W., Jackstell, R., Beller, M. & Skrydstrup, T. (2025). Integrating hydroformylations with methanol-to-syngas reforming. Chem, 11(3), Artikel 102396. https://doi.org/10.1016/j.chempr.2024.102396

Steinert, T., Ginsbourger, D., Lykke-Møller, A., Christiansen, O. & Moss, H. (2025). Integration-free Kernels for Equivariant Gaussian Process Modelling. I 42nd International Conference on Machine Learning (Bind 267, s. 56874-56898)

Vallentin, M. F., Granfeldt, A., Klitgaard, T. L., Mikkelsen, S., Folke, F., Christensen, H. C., Povlsen, A. L., Petersen, A. H., Winther, S., Frilund, L. W., Meilandt, C., Holmberg, M. J., Winther, K. B., Bach, A., Dissing, T. H., Terkelsen, C. J., Christensen, S., Kirkegaard Rasmussen, L., Mortensen, L. R. ... Andersen, L. W. (2025). Intraosseous or Intravenous Vascular Access for Out-of-Hospital Cardiac Arrest. The New England Journal of Medicine, 392(4), 349-360. https://doi.org/10.1056/NEJMoa2407616

López Hernández, M., Otzen, D. E. & Pedersen, J. S. (2025). Investigating the interactions between an industrial lipase and anionic (bio)surfactants. Journal of Colloid and Interface Science, 679(B), 294-306. https://doi.org/10.1016/j.jcis.2024.10.060

Engsvang, M. & Elm, J. (2025). Iodine Clusters in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides. ACS Omega, 10(23), 24887-24896. https://doi.org/10.1021/acsomega.5c02147

Boeszoermenyi, A., Radeva, D. L., Schindler, S., Valadares, V., Padmanabha Das, K. M., Dubey, A., Viennet, T., Schmitt, M., Kast, P., Gelev, V. M., Stoyanov, N., Burdzhiev, N., Petrov, O., Ficarro, S., Marto, J., Geffken, E. A., Dhe-Paganon, S., Seo, H. S., Alexander, N. D. ... Arthanari, H. (2025). Leveraging relaxation-optimized ¹H–¹³C_F correlations in 4-¹⁹F-phenylalanine as atomic beacons for probing structure and dynamics of large proteins. Nature Chemistry, 17(6), 835-846. Artikel 107499. https://doi.org/10.1038/s41557-025-01818-8

Kolding, K. N., Leemans, J., Buonsanti, R. & Rosas-Hernández, A. (2025). Ligand exchange-based synthesis of azide-functionalized Cu nanospheres as a platform for Mn complex immobilization and electrochemical CO₂ reduction. Journal of Materials Chemistry A, 13(39), 33808-33819. https://doi.org/10.1039/d5ta05273d

Thomsen, S. R., Høyer, N. M., Højlund, M. G. & Christiansen, O. (2025). Local Bond-Stretch Coordinates for Anharmonic Vibrational Computations. The journal of physical chemistry. A, 129(15), 3522-3536. https://doi.org/10.1021/acs.jpca.4c07704

Grinderslev, J. B. & Jensen, T. R. (2025). Magnesium borohydride pyridine derivatives as electrolytes for all-solid-state batteries. Journal of Materials Chemistry A, 13(21), 15810-15817. https://doi.org/10.1039/d5ta00239g

Xin, Z., Kou, J., Li, C., Li, Y., Carraro, M., Dong, M., Daasbjerg, K., Skrydstrup, T. & Huang, Y. (2025). Magnetic Hollowed CoFe Alloy@C Prism Catalyst for N-Alkylation of Alcohols and Amines. Inorganic Chemistry, 64(10), 4784-4790. https://doi.org/10.1021/acs.inorgchem.5c00188

Han, X., Zhang, T., Biset-Peiró, M., Roldan, A., Ceccato, M., Lock, N., Pedersen, S. U., Morante, J. R., Arbiol, J. & Daasbjerg, K. (2025). Mesopore-Augmented Electrochemical CO₂ Reduction on Nitrogen-Doped Carbon. Small (Weinheim an der Bergstrasse, Germany), 21(10), Artikel 2406883. https://doi.org/10.1002/smll.202406883

Luthra, M., Castro, A. C., Balcells, D., Daasbjerg, K. & Nova, A. (2025). Metal-Dependent Mechanism of the Electrocatalytic Reduction of CO₂ by Bipyridine Complexes Bearing Pendant Amines: A DFT Study. ACS Organic and Inorganic Au, 5(1), 26-36. https://doi.org/10.1021/acsorginorgau.4c00046

Zdouc, M. M., Blin, K., Louwen, N. L. L., Navarro, J., Loureiro, C., Bader, C. D., Bailey, C. B., Barra, L., Booth, T. J., Bozhüyük, K. A. J., Cediel-Becerra, J. D. D., Charlop-Powers, Z., Chevrette, M. G., Chooi, Y. H., D'Agostino, P. M., de Rond, T., Del Pup, E., Duncan, K. R., Gu, W. ... Medema, M. H. (2025). MIBiG 4.0: advancing biosynthetic gene cluster curation through global collaboration. Nucleic Acids Research, 53(D1), D678-D690. https://doi.org/10.1093/nar/gkae1115

Nielsen, A. M. H. & Jensen, F. (2025). Minimal Basis Iterative Stockholder Decomposition with Ellipsoidal Atoms. Journal of Chemical Theory and Computation, 21(18), 8753-8761. https://doi.org/10.1021/acs.jctc.5c00788

Mikkelsen, J. E. S. & Jensen, F. (2025). Minimal Basis Iterative Stockholder Decomposition with Multipole Constraints. Journal of Chemical Theory and Computation, 21(3), 1179-1193. https://doi.org/10.1021/acs.jctc.4c01297

Grinderslev, J. B., Kjær, T. S. S., Skov, L. N. & Jensen, T. R. (2025). Mixed anion closo-carbaborates as Na-superionic conductors. Journal of Materials Chemistry A, 13(20), 15031-15039. https://doi.org/10.1039/d4ta07853e

Trolle, G. B., Kubecka, J. & Elm, J. (2025). Modeling Local Aerosol Surface Environments: Clustering of Pyruvic Acid Analogs, Water, and Na+, Cl^_ Ions. ACS Omega, 10(1), 1470–1485. https://doi.org/10.1021/acsomega.4c09196

Diprima, D., Paulsen, T. T., Pulcinella, A., Bonciolini, S., Gabbey, A. L., Stuhr, R., Poulsen, T. B. & Noël, T. (2025). Modular Synthesis of Substituted Lactams via a Deoxygenative Photochemical Alkylation-Cyclization Cascade of Secondary Amides in Flow. JACS Au, 5(9), 4584-4592. https://doi.org/10.1021/jacsau.5c00884

Kösterke, T., Thakore, R., Moreno, S., Pedersen, J. S., Voit, B., Klementieva, O. & Appelhans, D. (2025). Molecular architectures of glycosylated dendronized bottle brushes in action: Biocompatibility and anti-amyloidogenic activity of pseudo-glycodendrimers. Materials Today Bio, 32, Artikel 101771. https://doi.org/10.1016/j.mtbio.2025.101771

Mostovaya, A., Thomsen, L. D., Sejr, M. K., Glasius, M. & Holding, J. M. (2025). Molecular Signatures of Dissolved Organic Matter Across the Glacial, Proglacial, and Fjord Continuum in NE Greenland. Journal of Geophysical Research: Biogeosciences, 130(12), Artikel e2025JG009161. https://doi.org/10.1029/2025JG009161

Hansen, S. B., Bartual, S. G., Yuan, H., Raimi, O. G., Gorelik, A., Ferenbach, A. T., Lytje, K., Pedersen, J. S., Drace, T., Boesen, T. & van Aalten, D. M. F. (2025). Multi-domain O-GlcNAcase structures reveal allosteric regulatory mechanisms. Nature Communications, 16(1), Artikel 8828. https://doi.org/10.1038/s41467-025-63893-2

Okholm, K. R., Nooteboom, S. W., Zijlstra, P. & Sutherland, D. S. (2025). Multivalency Studied at the Single Molecule Level via Plasmon Enhanced Fluorescence. International Conference on Metamaterials, Photonic Crystals and Plasmonics, 1303-1304.

Boonkaew, S., Teodori, L., Vendelbo, M. H., Kjems, J. & Ferapontova, E. E. (2025). Nanobodies' duo facilitates ultrasensitive serum HER-2/neu immunoassays via enhanced avidity interactions. Analytica Chimica Acta, 1335, Artikel 343472. https://doi.org/10.1016/j.aca.2024.343472

Peña Díaz, S., Zhang, Z., Jiang, Y., Daugberg, A. O. H., López Hernández, M., Nielsen, J., Dueholm, M. K. D., Dong, MD., Pedersen, J. S., Otzen, D. E. & Wang, H. (2025). Natural Design of a Stabilized Cross-β Fold: Structure of the FuA FapC from Pseudomonas Sp. UK4 Reveals a Critical Role for Stacking of Imperfect Repeats. Advanced Materials, 37(34), Artikel 2505503. https://doi.org/10.1002/adma.202505503

Subrahmaniam, H. J., Pico, X., Bataillon, T., Salomonsen, C. L., Glasius, M. & Ehlers, B. (2025). Natural variation in root exudate composition in the genetically structured Arabidopsis thaliana in the Iberian Peninsula. New Phytologist, 245(4), 1437-1449. https://doi.org/10.1111/nph.20314

Jensen, L. N., Kristensen, K., Iversen, E. M., Canagaratna, M. R., Roldin, P. & Bilde, M. (2025). Nature of Temperature-Induced Phase Transitions in Secondary Organic Aerosol Particles. Environmental Science and Technology, 59(45), 24359-24367. https://doi.org/10.1021/acs.est.5c08582

Sarkar, S. & Iversen, B. B. (2025). Near-Zero Thermal Expansion in Coordination Polymer Cd(1,2,4-Triazole)₂(H2PO4)₂. Angewandte Chemie International Edition, 64(25), Artikel e202503365. https://doi.org/10.1002/anie.202503365

Michiardi, M., Arnold, F., Vaitheeswaran, G., Day, R. P., Fischer, K., Shwetha, G., Kanchana, V., Curcio, D., Volckaert, K., Bianchi, M., Elfimov, I. S., Iversen, B. B., Damascelli, A. & Hofmann, P. (2025). New family of square net materials: Rare-earth diantimonides. Physical Review Materials, 9(12), Artikel 124201. https://doi.org/10.1103/ybcm-435p

Viennet, T. (2025). NMR and semi-synthesis in synergy to study protein regulation. Journal of Structural Biology, 217(2), Artikel 108192. https://doi.org/10.1016/j.jsb.2025.108192

Kristensen, H. H., Kranabetter, L., Ghazaryan, A., Schouder, C. A., Hansen, E., Jensen, F., Zillich, R. E., Lemeshko, M. & Stapelfeldt, H. (2025). Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet. Physical Review A, 111(3), Artikel 033114. https://doi.org/10.1103/PhysRevA.111.033114

Pramanick, A., Babori, C., Albertini, F., Gjørup, F. H., Oudot, A. B., Kumar, A., Jørgensen, M. R. V. & Daniel, L. (2025). Nonlinearity and Domain Switching in a 3D-Printed Architected Ferroelectric. Advanced Engineering Materials, 27(10), Artikel 2402104. https://doi.org/10.1002/adem.202402104

Støckler, K. A. H., Xue, Z., Guo, S., Zhang, J., Su, L. & Iversen, B. B. (2025). Octahedral clustering of Er³⁺ ions in Er:CaF₂ at low doping concentrations. Physical Review Materials, 9(7), Artikel 073607. https://doi.org/10.1103/v4vy-vv5v

Nemet, N. A. I., Bertelsen, A. D., Kløve, M. N., Mamakhel, A. H. & Iversen, B. B. (2025). One-Step Synthesis of Anatase TiO₂ Nanoparticles Using a Nonmixing Continuous Flow Solvothermal Reactor. Crystal Growth and Design, 25(4), 1044-1052. https://doi.org/10.1021/acs.cgd.4c01386

Krokengen, O. C., Raasakka, A., Klenow, M. B., Pal, A., Hetland, Ø., Mularski, A., Ruskamo, S., Pedersen, J. S., Simonsen, A. C. & Kursula, P. (2025). On the synergy between myelin proteins P0, MBP, and P2 in peripheral nerve major dense line formation. FEBS journal, 292(15), 3960-3985. https://doi.org/10.1111/febs.70111

Praetz, S., Johansen, M., Kober, D., Tesic, M., Schlesiger, C., Bomholdt Ravnsbæk, D. & Kanngießer, B. (2025). Operando laboratory XAS on battery materials using the DANOISE cell in a von Hámos spectrometer. Journal of Analytical Atomic Spectrometry, 40(9), 2447-2461. https://doi.org/10.1039/d5ja00155b

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

Yu, H., Larsen, K. G. & Christiansen, O. (2025). Optimization methods for tensor decomposition: A comparison of new algorithms for fitting the CP(CANDECOMP/PARAFAC) model. Chemometrics and Intelligent Laboratory Systems, 257, Artikel 105290. https://doi.org/10.1016/j.chemolab.2024.105290

Østergaard, N. L., Kristensen, A., Marcantonio, E., Skipper, M. L., Dudziński, M., McLeod, D. A. & Jørgensen, K. A. (2025). Organocatalytic Enantioselective [4 + 4] Cycloadditions of Furan Ortho-Quinodimethanes. Angewandte Chemie - International Edition, 64(41), Artikel e202514300. https://doi.org/10.1002/anie.202514300

Rasmussen, M. H., Møller, S. L. B., Svenningsen, E. B., Tørring, T. & Poulsen, T. B. (2025). P450 Enzyme LyoI Performs Hydro-2,2'-Bifuran Oxidation in the Polyether Ionophore Lysocellin. Angewandte Chemie International Edition, 64(43), Artikel e202507847. https://doi.org/10.1002/anie.202507847

Mishra, A., Golbek, T. W., Thomassen, A. B., Zuzic, L., Schmüser, L., Saeed, K. H., Madzharova, F., Nielsen, J., Schiøtt, B., Otzen, D. E. & Weidner, T. (2025). Pathological Folding of α-Synuclein on Polystyrene Nanoplastic Revealed by Sum Frequency Scattering and 2D Infrared Spectroscopy. The Journal of Physical Chemistry Letters, 16(45), 11893-11900. https://doi.org/10.1021/acs.jpclett.5c02526

Oyarzua, E. & Jensen, F. (2025). Performance of the bond capacity model for charge polarization in classical molecular dynamics. The Journal of Chemical Physics, 163(7), Artikel 074103. https://doi.org/10.1063/5.0278180

Jorgensen, C., Linville, R. M., Galea, I., Lambden, E., Vögele, M., Chen, C., Troendle, E. P., Ruggiu, F., Ulmschneider, M. B., Schiøtt, B. & Lorenz, C. D. (2025). Permeability Benchmarking: Guidelines for Comparing in Silico, in Vitro, and in Vivo Measurements. Journal of Chemical Information and Modeling, 65(3), 1067-1084. https://doi.org/10.1021/acs.jcim.4c01815

Garner, N. M., Mahrt, F., Top, J., Tadei, V., Kilchhofer, K., Takahama, S., El Haddad, I., Bell, D. M., Ammann, M. & Alpert, P. A. (2025). Photochemistry of iron-containing secondary organic aerosol is impacted by relative humidity during formation. npj Climate and Atmospheric Science, 8(1), Artikel 246. https://doi.org/10.1038/s41612-025-01109-6

Lindkvist, T. T., Sillesen, C., Klinkby, N., Jensen, H. H., Andersen, L. H. & Nielsen, S. B. (2025). Photophysics of a Methylated GFP Chromophore Anion in Vacuo. Journal of Physical Chemistry A, 129(19), 4245–4251. https://doi.org/10.1021/acs.jpca.5c02039

Mishra, A., Golbek, T. W., Zubia-Aranburu, J., Madzharova, F., Drace, T., Bøggild, A., Boesen, T., Saeed, K. H., Klausen, L. H., Dong, M., Roeters, S. J. & Weidner, T. (2025). Polystyrene Nanoplastic Contaminants Denature Human Apolipoprotein A-1. Nano Letters, 25(35), 13160-13165. https://doi.org/10.1021/acs.nanolett.5c02743

Singh, A., Rahman, A., Mondal, S., Spackman, M. A., Iversen, B. B. & Thomas, S. P. (2025). Prediction and Validation of Mechanical Flexibility in Molecular Crystals: Dispersion Interactions Dictate Bending. Angewandte Chemie International Edition, 64(19), Artikel e202424496. https://doi.org/10.1002/anie.202424496

Vestergaard, A. K., Zhao, S., Leidinger, P. M., Sun, Z., Daasbjerg, K. & Lauritsen, J. V. (2025). Properties of a Co-Porphyrin 2D Covalent Monolayer on Au(111) for the Oxygen Reduction and Evolution Reaction. Journal of Physical Chemistry C, 129(27), 12341-12350. https://doi.org/10.1021/acs.jpcc.5c02774

Demir, F., Kovalenko, E., Lassé, M., Svenningsen, E. B., Bernth Jensen, J. M., Billing, A. M., Groeneveld, K., Hutzfeldt, A., Nilges, L., Guerra, J. P. L., Pietrzak-Lichwa, K. J., Tan, Y., Colby, E., Hansen, A. G., Kurmasheva, N., Olagnier, D., Choi, D., Richter, M. M., Laufer, S. D. ... Rinschen, M. M. (2025). Proteolytic profiling of human plasma reveals an immunoactive complement C3 fragment. EMBO Journal, 44(24), 7721-7758. https://doi.org/10.1038/s44318-025-00598-8

Bøggild, P., Booth, T. J., Jessen, B. S., Shivayogimath, A., Lassaline, N., Hofmann, S., Burton, O., Daasbjerg, K., Smith, A., Nørgaard, K., Zurutuza, A., Barkan, T. & Pollard, A. J. (2025). Protocols and tools to enable reproducibility in 2D materials research. Nature Reviews Physics, 7(12), 728-738. https://doi.org/10.1038/s42254-025-00875-9

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