Publikationer

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Publikationer fra Institut for Kemi

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Ayoubi, D., Knattrup, Y. & Elm, J. (2023). Clusteromics V: Organic Enhanced Atmospheric Cluster Formation. ACS Omega, 8(10), 9621-9629. https://doi.org/10.1021/acsomega.3c00251

Yang, H., Neefjes, I., Tikkanen, V., Kubečka, J., Kurtén, T., Vehkamäki, H. & Reischl, B. (2023). Collision-sticking rates of acid-base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model. Atmospheric Chemistry and Physics, 23(10), 5993-6009. https://doi.org/10.5194/acp-23-5993-2023

Vosegaard, E. S., Ahlburg, J. V., Krause, L. & Iversen, B. B. (2023). Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 79(Part 5), 380-391. https://doi.org/10.1107/S2052520623006625

Zajac, M., Song, J., Skocek, J., Ben Haha, M. & Skibsted, J. (2023). Composite cements with aqueous and semi-dry carbonated recycled concrete pastes. Construction and Building Materials, 407, Artikel 133362. https://doi.org/10.1016/j.conbuildmat.2023.133362

Day, C. S. & Martin, R. (2023). Comproportionation and disproportionation in nickel and copper complexes. Chemical Society Reviews, 52(19), 6601-6616 . https://doi.org/10.1039/d2cs00494a

Kubečka, J., Besel, V., Neefjes, I., Knattrup, Y., Kurtén, T., Vehkamäki, H. & Elm, J. (2023). Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning. ACS Omega, 8(47), 45115-45128. https://doi.org/10.1021/acsomega.3c07412

Hansen, R. A. & Gothelf, K. V. (2023). Controlling Single Molecule Conjugated Oligomers and Polymers with DNA. I Visions of DNA Nanotechnology at 40 for the Next 40: A Tribute to Nadrian C. Seeman (s. 87-105). Springer Science+Business Media. https://doi.org/10.1007/978-981-19-9891-1_7

Mørch, M. I. & Christensen, M. (2023). Controlling the magnetic structure in W-type hexaferrites. Journal of Applied Crystallography, 56(Pt 3), 597-602. https://doi.org/10.1107/S1600576723002133

Magnard, N. P. L., Kirsch, A., Jørgensen, M. R. V., Kantor, I., Sørensen, D. R., Huotari, S., Rudić, S., Bordallo, H. N. & Jensen, K. M. Ø. (2023). Control of H-Related Defects in γ-MnO₂ in a Hydrothermal Synthesis. Inorganic Chemistry, 62(32), 13021-13029. https://doi.org/10.1021/acs.inorgchem.3c01815

Thomas, S. P., Worthy, A., Eikeland, E. Z., Thompson, A. J., Grosjean, A., Tolborg, K., Krause, L., Sugimoto, K., Spackman, M. A., McMurtrie, J. C., Clegg, J. K. & Iversen, B. B. (2023). Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal. Chemistry of Materials, 35(6), 2495-2502. https://doi.org/10.1021/acs.chemmater.2c03625

Østergaard, M., Naver, E. B., Schüpbach, D., Kaestner, A., Strobl, M., Brüel, A., Thomsen, J. S., Schmidt, S., Poulsen, H. F., Kuhn, L. T. & Birkedal, H. (2023). Correlative study of liquid in human bone by 3D neutron microscopy and lab-based X-ray μCT. Bone, 175, Artikel 116837. https://doi.org/10.1016/j.bone.2023.116837

Corzo, H. H., Hillers-Bendtsen, A. E., Barnes, A., Zamani, A. Y., Pawłowski, F., Olsen, J., Jørgensen, P., Mikkelsen, K. V. & Bykov, D. (2023). Coupled cluster theory on modern heterogeneous supercomputers. Frontiers in Chemistry, 11, Artikel 1154526. https://doi.org/10.3389/fchem.2023.1154526

Chen, X., Roeters, S. J., Cavanna, F., Alvarado, J. & Baiz, C. R. (2023). Crowding alters F-actin secondary structure and hydration. Communications Biology, 6(1), Artikel 900. https://doi.org/10.1038/s42003-023-05274-3

Babizhetskyy, V., Myakush, O., Kotur, B., Smetana, V., Zheng, C. & Mudring, A. V. (2023). Crystal and electronic structures of the new ternary gallide Zr₁₂Pd_40−xGa_31+y (x = 0–1.5, y = 0–0.5). Journal of Solid State Chemistry, 327, Artikel 124250. https://doi.org/10.1016/j.jssc.2023.124250

Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D., Wu, H., Christiansen, O. & Elm, J. (2023). Current and future machine learning approaches for modeling atmospheric cluster formation. Nature Computational Science, 3(6), 495-503. https://doi.org/10.1038/s43588-023-00435-0

Bhatia, H., Martin, C., Keshavarz, M., Dovgaliuk, I., Schrenker, N. J., Ottesen, M., Qiu, W., Fron, E., Bremholm, M., Van de Vondel, J., Bals, S., Roeffaers, M. B. J., Hofkens, J. & Debroye, E. (2023). Deciphering the Role of Water in Promoting the Optoelectronic Performance of Surface-Engineered Lead Halide Perovskite Nanocrystals. ACS Applied Materials & Interfaces, 15(5), 7294-7307. https://doi.org/10.1021/acsami.2c20605

Viennet, T., Dubey, A., Törner, R., Droemer, M., Coote, P., Frueh, D., Takeuchi, K. & Arthanari, H. (2023). Decoding Atomic Addresses: Solution NMR Resonance Assignment of Proteins. I T. Polenova, C. Quinn & A. Gronenborn (red.), Integrated Structural Biology (s. 1-42). Royal Society of Chemistry. https://doi.org/10.1039/BK9781837670154-00001

Muzzi, B., Albino, M., Petrecca, M., Innocenti, C., de Julián Fernández, C., Bertoni, G., Ibarra, M. R., Christensen, M., Avdeev, M., Marquina, C. & Sangregorio, C. (2023). Defect-Engineering by Solvent Mediated Mild Oxidation as a Tool to Induce Exchange Bias in Metal Doped Ferrites. Small Methods, 7(11), Artikel 2300647. https://doi.org/10.1002/smtd.202300647

Peru, F., Payandeh, S., Jensen, T. R., Charalambopoulou, G. & Steriotis, T. (2023). Destabilization of the LiBH₄–NaBH₄ Eutectic Mixture through Pore Confinement for Hydrogen Storage. Inorganics, 11(3), Artikel 128. https://doi.org/10.3390/inorganics11030128

Jamal, R. B., Vitasovic, T., Gosewinkel, U. & Ferapontova, E. E. (2023). Detection of E.coli 23S rRNA by electrocatalytic “off-on” DNA beacon assay with femtomolar sensitivity. Biosensors and Bioelectronics, 228, Artikel 115214. https://doi.org/10.1016/j.bios.2023.115214

Castarède, D., Brasseur, Z., Wu, Y., Kanji, Z. A., Hartmann, M., Ahonen, L., Bilde, M., Kulmala, M., Petäjä, T., Pettersson, J. B. C., Sierau, B., Stetzer, O., Stratmann, F., Svenningsson, B., Swietlicki, E., Thu Nguyen, Q., Duplissy, J. & Thomson, E. S. (2023). Development and characterization of the Portable Ice Nucleation Chamber 2 (PINCii). Atmospheric Measurement Techniques, 16(16), 3881-3899. https://doi.org/10.5194/amt-16-3881-2023

Harms, M., Fabech Hansson, R., Gilg, A., Almeida-Hernández, Y., Löffler, J., Rodríguez-Alfonso, A., Habib, M. M. W., Albers, D., Ahmed, N. S., Abadi, A. H., Winter, G., Rasche, V., Beer, A. J., Weidinger, G., Preising, N., Ständker, L., Wiese, S., Sanchez-Garcia, E., Zelikin, A. N. & Münch, J. (2023). Development of N-Terminally Modified Variants of the CXCR4-Antagonistic Peptide EPI-X4 for Enhanced Plasma Stability. Journal of Medicinal Chemistry, 66(22), 15189-15204. https://doi.org/10.1021/acs.jmedchem.3c01128

Sela, T., Mansø, M., Siegel, M., Marban-Doran, C., Ducret, A., Niewöhner, J., Ravn, J., Martin, R. E., Sommer, A., Lohmann, S., Krippendorff, B. F., Ladefoged, M., Indlekofer, A., Quaiser, T., Bueddefeld, F., Koller, E., Mohamed, M. Y., Oelschlaegel, T., Gothelf, K. V. ... Schumacher, F. F. (2023). Diligent Design Enables Antibody-ASO Conjugates with Optimal Pharmacokinetic Properties. Bioconjugate Chemistry, 34(11), 2096-2111. https://doi.org/10.1021/acs.bioconjchem.3c00393

Panda, A., Giska, F., Duncan, A. L., Welch, A. J., Brown, C., McAllister, R., Hariharan, P., Goder, J. N. D., Coleman, J., Ramakrishnan, S., Pincet, F., Guan, L., Krishnakumar, S., Rothman, J. E. & Gupta, K. (2023). Direct determination of oligomeric organization of integral membrane proteins and lipids from intact customizable bilayer. Nature Methods, 20(6), 891-897. https://doi.org/10.1038/s41592-023-01864-5

Mahant, S., Iversen, E. M., Kasparoglu, S., Bilde, M. & Petters, M. D. (2023). Direct measurement of the viscosity of ternary aerosol mixtures. Environmental Science: Atmospheres, 3(3), 595-607. https://doi.org/10.1039/d2ea00160h

Sandemann, J. R., Grønbech, T. B. E., Støckler, K. A. H., Ye, F., Chakoumakos, B. C. & Iversen, B. B. (2023). Direct Visualization of Magnetic Correlations in Frustrated Spinel ZnFe₂O₄. Advanced Materials, 35(5), Artikel 2207152. https://doi.org/10.1002/adma.202207152

Hasegawa, H., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2023). Dissociative ionization and Coulomb explosion of CH₄ in two-color asymmetric intense laser fields. Physical Chemistry Chemical Physics, 25(37), 25408-25419. https://doi.org/10.1039/d3cp02337k

Roth, N. & Brummerstedt Iversen, B. (2023). Dynamic correlations and possible diffusion pathway in the superionic conductor Cu_2-xSe. IUCrJ, 10(2), 199-209. https://doi.org/10.1107/S2052252523001318

Zhang, J., Ishikawa, D., Koza, M. M., Nishibori, E., Song, L., Baron, A. Q. R. & Iversen, B. B. (2023). Dynamic Lone Pair Expression as Chemical Bonding Origin of Giant Phonon Anharmonicity in Thermoelectric InTe. Angewandte Chemie International Edition, 62(13), Artikel e202218458. https://doi.org/10.1002/anie.202218458

Aznauryan, M. & Birkedal, V. (2023). Dynamics of G-Quadruplex Formation under Molecular Crowding. The Journal of Physical Chemistry Letters, 14(46), 10354-10360. https://doi.org/10.1021/acs.jpclett.3c02453

Zelikin, A. N., Andersen, E. S. & Städler, B. (2023). Editorial for the Special Issue 'Synthetic Biology and Biomimicry'. Small, 19(13), Artikel 2301160. https://doi.org/10.1002/smll.202301160

Nakhaei, M., Khoshnoud, D. S., Bremholm, M., Nobre, M. A. L. & Khonakdar, H. A. (2023). Effects of Al doping on physical properties and photocatalytic activity of neodymium orthoferrite. Journal of Sol-Gel Science and Technology, 105(1), 246-265. https://doi.org/10.1007/s10971-022-05956-0

Narges Amini, A., Safdar Habibi, H. & Mohammadiparsa, N. (2023). Effects of Different Quenching Rate on the Various Properties of Fe–Si–B Amorphous Alloy Prepared by Melt Spinning Method. Glass Physics and Chemistry, 49(6), 617-624. https://doi.org/10.1134/S1087659622600752

Jensen, A. B., Højlund, M. G., Zoccante, A., Madsen, N. K. & Christiansen, O. (2023). Efficient time-dependent vibrational coupled cluster computations with time-dependent basis sets at the two-mode coupling level: Full and hybrid TDMVCC[2]. The Journal of Chemical Physics, 159(20), Artikel 204106. https://doi.org/10.1063/5.0175506

Huynh, T. P., Chen, Y., Bach-Gansmo, F. L., Dehli, J., Ibsen, V. N., Foss, M., Tvilum, A. S., Zelikin, A. N. & Birkedal, H. (2023). Efficient Wet Adhesion through Mussel-Inspired Proto-Coacervates. Advanced Materials Interfaces, 10(1), Artikel 2201491. https://doi.org/10.1002/admi.202201491

Leiszner, S. S., Chakarawet, K., Long, J. R., Nishibori, E., Sugimoto, K., Platts, J. A. & Overgaard, J. (2023). Electron Density Analysis of Metal-Metal Bonding in a Ni₄ Cluster Featuring Ferromagnetic Exchange. Inorganic Chemistry, 62(1), 192-200. https://doi.org/10.1021/acs.inorgchem.2c03170

Beyer, J., Grønbech, T. B. E., Zhang, J., Kato, K. & Iversen, B. B. (2023). Electron density and thermal motion of diamond at elevated temperatures. Acta Crystallographica Section A: Foundations and Advances, 79(Part 1), 41-50. https://doi.org/10.1107/S2053273322010154

Roeters, S. J., Strunge, K., Pedersen, K. B., Golbek, T. W., Bregnhøj, M., Zhang, Y., Wang, Y., Dong, M., Nielsen, J., Otzen, D. E., Schiøtt, B. & Weidner, T. (2023). Elevated concentrations cause upright alpha-synuclein conformation at lipid interfaces. Nature Communications, 14(1), Artikel 5731. https://doi.org/10.1038/s41467-023-39843-1

Grønbech, T. B. E., Krause, L., Ceresoli, D. & Iversen, B. B. (2023). Elucidating the superexchange mechanisms in magnetic coordination polymer [Co(HCOO)₂(H2O)₂]_∞ through chemical bonding analysis. Journal of Materials Chemistry C, 11(38), 12922-12932. https://doi.org/10.1039/D3TC01191G

Ričko, S., Bitsch, R. S., Kaasik, M., Otevrel, J., Højgaard Madsen, M., Keimer, A. & Jørgensen, K. A. (2023). Enantioconvergent 6π Electrocyclization Enabled by Photoredox Racemization. Journal of the American Chemical Society, 145(38), 20913–20926. https://doi.org/10.1021/jacs.3c06227

Otevrel, J., Eugui, M., Ričko, S. & Jørgensen, K. A. (2023). Enantioselective organocatalytic cycloadditions for the synthesis of medium-sized rings. Nature Synthesis, 2(12), 1142-1158. https://doi.org/10.1038/s44160-023-00416-1

Lamhauge, J. N., McLeod, D., Barløse, C., Oliver, G., Viborg, L., Warburg, T. & Jørgensen, K. A. (2023). Enantioselective Synthesis of Tropane Scaffolds by an Organocatalyzed 1,3-Dipolar Cycloaddition of 3-Oxidopyridinium Betaines and Dienamines. Chemistry - A European Journal, 29(49), Artikel e202301830. https://doi.org/10.1002/chem.202301830

Zajac, M., Maruyama, I., Iizuka, A. & Skibsted, J. (2023). Enforced carbonation of cementitious materials. Cement and Concrete Research, 174, Artikel 107285. https://doi.org/10.1016/j.cemconres.2023.107285

Zhou, C., Yan, Y. & Jensen, T. R. (2023). Enhanced Electrochemical Performance of the Li₂B₁₂H₁₂-Li₂B₁₀H₁₀-LiBH₄ Electrolyte. ACS Applied Energy Materials, 6(14), 7346–7352. https://doi.org/10.1021/acsaem.3c00411

Ma, F., Xie, H.-B., Zhang, R., Su, L., Jiang, Q., Tang, W., Chen, J., Engsvang, M., Elm, J. & He, X.-C. (2023). Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism. Environmental Science & Technology, 57(17), 6944-6954. https://doi.org/10.1021/acs.est.3c01034

Grünewald, T. A., Johannes, A., Wittig, N. K., Palle, J., Rack, A., Burghammer, M. & Birkedal, H. (2023). Erratum: Bone mineral properties and 3D orientation of human lamellar bone around cement lines and the Haversian system . IUCrJ, 10(Part 3), 376-376. https://doi.org/10.1107/S2052252523002695

Hong, W., Luthra, M., Jakobsen, J. B., Madsen, M. R., Castro, A. C., Hammershøj, H. C. D., Pedersen, S. U., Balcells, D., Skrydstrup, T., Daasbjerg, K. & Nova, A. (2023). Exploring the Parameters Controlling Product Selectivity in Electrochemical CO₂ Reduction in Competition with Hydrogen Evolution Employing Manganese Bipyridine Complexes. ACS Catalysis, 13(5), 3109-3119. https://doi.org/10.1021/acscatal.2c05951

Broge, N. L. N., Bertelsen, A. D., Søndergaard-Pedersen, F. & Iversen, B. B. (2023). Facile Solvothermal Synthesis of Pt-Ir-Pd-Rh-Ru-Cu-Ni-Co High-Entropy Alloy Nanoparticles. Chemistry of Materials, 35(1), 144-153. https://doi.org/10.1021/acs.chemmater.2c02842

Rasmussen, H. Ø., Kumar, A., Shin, B., Stylianou, F., Sewell, L., Xu, Y., Otzen, D. E., Pedersen, J. S. & Matthews, S. J. (2023). FapA is an Intrinsically Disordered Chaperone for Pseudomonas Functional Amyloid FapC. Journal of Molecular Biology, 435(2), Artikel 167878. https://doi.org/10.1016/j.jmb.2022.167878

Majland, M., Ettenhuber, P. & Zinner, N. T. (2023). Fermionic adaptive sampling theory for variational quantum eigensolvers. Physical Review A, 108(5), Artikel 052422 . https://doi.org/10.1103/PhysRevA.108.052422

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