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Institut for Kemi

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Ambroise, M. A. & Jensen, F. (2019). Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectroscopy by the Δ Self-Consistent-Field Approach. Journal of Chemical Theory and Computation, 15(1), 325-337. https://doi.org/10.1021/acs.jctc.8b01071

Jakobsen, P. & Jensen, F. (2019). Probing basis set requirements for calculating hyperfine coupling constants. Journal of Chemical Physics, 151(17), Artikel 174107. https://doi.org/10.1063/1.5128286

Jia, S., Wang, J., Xie, M., Sun, J., Liu, H., Zhang, Y., Chao, J., Li, J., Wang, L., Lin, J., Gothelf, K. V. & Fan, C. (2019). Programming DNA origami patterning with non-canonical DNA-based metallization reactions. Nature Communications, 10(1), Artikel 5597. https://doi.org/10.1038/s41467-019-13507-5

Shen, Y., Mamakhel, A., Liu, X., Hansen, T. W., Tabanelli, T., Bonincontro, D., Iversen, B. B., Prati, L., Li, Y., Niemantsverdriet, J. W. H., Hutchings, G., Dimitratos, N., Villa, A. & Su, R. (2019). Promotion Mechanisms of Au Supported on TiO₂ in Thermal- And Photocatalytic Glycerol Conversion. Journal of Physical Chemistry C, 123(32), 19734-19741. https://doi.org/10.1021/acs.jpcc.9b05475

Nielsen, J. T. & Mulder, F. A. A. (2019). Quality and bias of protein disorder predictors. Scientific Reports, 9, Artikel 5137. https://doi.org/10.1038/s41598-019-41644-w

Li, H., Vinther, J. & Gothelf, K. V. (2019). Quantitative Detection of Digoxin in Plasma Using Small-Molecule Immunoassay in a Recyclable Gravity-Driven Microfluidic Chip. Advanced Science, 6(6), Artikel 1802051. https://doi.org/10.1002/advs.201802051

Westberg, M., Etzerodt, M. & Ogilby, P. R. (2019). Rational Design of Genetically Encoded Singlet Oxygen Photosensitizing Proteins. Current Opinion in Structural Biology, 57(August), 56-62. https://doi.org/10.1016/j.sbi.2019.01.025

Kold-Christensen, R., Jensen, K. K., Smedegård-Holmquist, E., Sørensen, L. K., Hansen, J., Jørgensen, K. A., Kristensen, P. & Johannsen, M. (2019). ReactELISA method for quantifying methylglyoxal levels in plasma and cell cultures. Redox Biology, 26, Artikel 101252. https://doi.org/10.1016/j.redox.2019.101252

Grube, E., Jensen, S. R. H., Nielsen, U. G. & Jensen, T. R. (2019). Reactivity of magnesium borohydride – Metal hydride composites, γ-Mg(BH₄)₂-MH_x, M = Li, Na, Mg, Ca. Journal of Alloys and Compounds, 770, 1155-1163. https://doi.org/10.1016/j.jallcom.2018.08.177

Skibsted, J. & Snellings, R. (2019). Reactivity of supplementary cementitious materials (SCMs) in cement blends. Cement and Concrete Research, 124, Artikel 105799. https://doi.org/10.1016/j.cemconres.2019.105799

Zeuthen, C. M., Thorup, P. S., Roth, N. & Iversen, B. B. (2019). Reconciling Crystallographic and Physical Property Measurements on Thermoelectric Lead Sulfide. Journal of the American Chemical Society, 141(20), 8146-8157. https://doi.org/10.1021/jacs.9b00043

Scoma, A., Heyer, R., Rifai, R., Dandyk, C., Marshall, I., Kerckhof, F. M., Marietou, A., Boshker, H. T. S., Meysman, F. J. R., Malmos, K. G., Vosegaard, T., Vermeir, P., Banat, I. M., Benndorf, D. & Boon, N. (2019). Reduced TCA cycle rates at high hydrostatic pressure hinder hydrocarbon degradation and obligate oil degraders in natural, deep-sea microbial communities. ISME Journal, 13(4), 1004-1018. https://doi.org/10.1038/s41396-018-0324-5

Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). Reply to the 'Comment on "Atmospheric chemistry of iodine anions: elementary reactions of I-, IO-, and IO-2 with ozone studied in the gas-phase at 300 K using an ion trap"' by D. Britz, Phys. Chem. Chem. Phys., 2019, 21, C9CP03851E. Physical Chemistry Chemical Physics, 21(40), 22656-22656. https://doi.org/10.1039/c9cp05104j

Lakhotiya, H., Nazir, A., Roesgaard, S., Eriksen, E., Christiansen, J., Bondesgaard, M., Van Veggel, F. C. J. M., Iversen, B. B., Balling, P. & Julsgaard, B. (2019). Resonant Plasmon-Enhanced Upconversion in Monolayers of Core-Shell Nanocrystals: Role of Shell Thickness. ACS Applied Materials & Interfaces, 11(1), 1209-1218. https://doi.org/10.1021/acsami.8b15564

Christensen, M. & Schiøtt, B. (2019). Revealing a Dual Role of Ganglioside Lipids in the Aggregation of Membrane-Associated Islet Amyloid Polypeptide. Journal of Membrane Biology, 252(4-5), 343-356. https://doi.org/10.1007/s00232-019-00074-5

Marlton, F., Checchia, S. & Daniels, J. (2019). Revealing phase boundaries by weighted parametric structural refinement. Journal of Synchrotron Radiation, 26, 1638-1643. https://doi.org/10.1107/S1600577519007902

Makepeace, J. W., He, T., Weidenthaler, C., Jensen, T. R., Chang, F., Vegge, T., Ngene, P., Kojima, Y., de Jongh, P. E., Chen, P. & David, W. I. F. (2019). Reversible ammonia-based and liquid organic hydrogen carriers for high-density hydrogen storage: Recent progress. International Journal of Hydrogen Energy, 44(15), 7746-7767. https://doi.org/10.1016/j.ijhydene.2019.01.144

Fugel, M., Malaspina, L. A., Pal, R., Thomas, S. P., Shi, M. W., Spackman, M. A., Sugimoto, K. & Grabowsky, S. (2019). Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent? Chemistry - A European Journal, 25(26), 6459. https://doi.org/10.1002/chem.201901182

Nørnberg, P., Thøgersen, J., Bak, E. N., Finster, K., Jakobsen, H. J. & Jensen, S. K. (2019). Saltation may be contributory in the depletion of methane on Mars. EGU General Assembly (EGU2019), Proceedings, 21(13986), 201.

Christiansen, S., Salter, M. E., Gorokhova, E., Nguyen, Q. T. & Bilde, M. (2019). Sea Spray Aerosol Formation: Laboratory Results on the Role of Air Entrainment, Water Temperature, and Phytoplankton Biomass. Environmental Science & Technology, 53(22), 13107-13116. https://doi.org/10.1021/acs.est.9b04078

Liu, T., Song, P., Märcher, A., Kjems, J., Yang, C. & Gothelf, K. V. (2019). Selective delivery of doxorubicin to EGFR+ cancer cells by Cetuximab‐DNA conjugates. ChemBioChem, 20(8), 1014-1018. https://doi.org/10.1002/cbic.201800685

Ateia, M., Erdem, C. U., Ersan, M. S., Ceccato, M. & Karanfil, T. (2019). Selective removal of bromide and iodide from natural waters using a novel AgCl-SPAC composite at environmentally relevant conditions. Water Research, 156, 168-178. https://doi.org/10.1016/j.watres.2019.03.028

Trads, J. B., Hüll, K., Matsuura, B. S., Laprell, L., Fehrentz, T., Görldt, N., Kozek, K. A., Weaver, C. D., Klöcker, N., Barber, D. M. & Trauner, D. (2019). Sign Inversion in Photopharmacology: Incorporation of Cyclic Azobenzenes in Photoswitchable Potassium Channel Blockers and Openers. Angewandte Chemie - International Edition, 58(43), 15421-15428. https://doi.org/10.1002/anie.201905790

Nielsen, E. R., Winther, A. K. & Simonsen, U. (2019). Simultaneous measurements of tension and free H₂S in mesenteric arteries. I Vascular Effects of Hydrogen Sulfide: Methods and Protocols (s. 125-136). Humana Press. https://doi.org/10.1007/978-1-4939-9528-8_9

Jepsen, M. D. E., Sørensen, R. S., Maffeo, C., Aksimentiev, A., Kjems, J. & Birkedal, V. (2019). Single molecule analysis of structural fluctuations in DNA nanostructures. Nanoscale, 11(39), 18475-18482. https://doi.org/10.1039/c9nr03826d

Consiglieri, E., Xu, Q., Bregnhøj, M., Westberg, M., Ogilby, P. R. & Losi, A. (2019). Single mutation in a novel bacterial LOV protein yields a singlet oxygen generator. Photochemical & Photobiological Sciences, 18(11), 2657-2660. https://doi.org/10.1039/C9PP00328B

Huang, L. Z., Zhu, M., Liu, Z., Wang, Z. & Hansen, H. C. B. (2019). Single sheet iron oxide: An efficient heterogeneous electro-Fenton catalyst at neutral pH. Journal of Hazardous Materials, 364, 39-47. https://doi.org/10.1016/j.jhazmat.2018.10.026

Nielsen, A. B., Hansen, M. R., Andersen, J. E. & Vosegaard, T. (2019). Single-Spin Vector Analysis of Strongly Coupled Nuclei in TOCSY NMR Experiments. Journal of Chemical Physics, 151(13), Artikel 134117. https://doi.org/10.1063/1.5123046

Roth, N. & Iversen, B. B. (2019). Solving the disordered structure of β-Cu _{2 x} Se using the three-dimensional difference pair distribution function. Acta Crystallographica Section A: Foundations of Crystallography, 75(3), 465-473. https://doi.org/10.1107/S2053273319004820

Kjeldgaard, S., Dražević, E., Iversen, B. B. & Bentien, A. (2019). Stationære batterier til lagring af sol- og vindelektricitet - kræver nye billige materialer med lav miljøpåvirkning. Dansk Kemi, 100(1), 12-14. https://ipaper.ipapercms.dk/TechMedia/DanskKemi/2019/1/?page=12

Hansen, B. K., Loveridge, C. J., Thyssen, S., Wørmer, G. J., Nielsen, A. D., Palmfeldt, J., Johannsen, M. & Poulsen, T. B. (2019). STEFs: Activated Vinylogous Protein-Reactive Electrophiles. Angewandte Chemie - International Edition, 58(11), 3533-3537. https://doi.org/10.1002/anie.201814073

Elm, J., Hyttinen, N., Lin, J. J., Kurtén, T. & Prisle, N. L. (2019). Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics. The Journal of Physical Chemistry A, 123(44), 9594-9599. https://doi.org/10.1021/acs.jpca.9b08020

Hvid, M. S., Jeppesen, H. S., Miola, M., Lamagni, P., Su, R., Jensen, K. M. Ø. & Lock, N. (2019). Structural changes during water-mediated amorphization of semiconducting two-dimensional thiostannates. IUCrJ, 6(5), 804-814. https://doi.org/10.1107/S2052252519006791

Vestergaard, M., Berglund, N. A., Hsu, P. C., Song, C., Koldsø, H., Schiøtt, B. & Sansom, M. S. P. (2019). Structure and Dynamics of Cinnamycin-Lipid Complexes: Mechanisms of Selectivity for Phosphatidylethanolamine Lipids. ACS Omega, 4(20), 18889-18899. https://doi.org/10.1021/acsomega.9b02949

Mørch, M. I., Ahlburg, J. V., Saura-Múzquiz, M., Eikeland, A. Z. & Christensen, M. (2019). Structure and magnetic properties of W-type hexaferrites. IUCrJ, 6(3), 492-499. https://doi.org/10.1107/S2052252519003130

Kucharczyk, S., Zajac, M., Stabler, C., Thomsen, R. M., Ben Haha, M., Skibsted, J. & Deja, J. (2019). Structure and reactivity of synthetic CaO-Al₂ O₃ -SiO₂ glasses. Cement and Concrete Research, 120, 77-91. https://doi.org/10.1016/j.cemconres.2019.03.004

Schouder, C., Chatterley, A. S., Calvo, F., Christiansen, L. & Stapelfeldt, H. (2019). Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization. Structural Dynamics, 6(4), 1-12. Artikel 044301. https://doi.org/10.1063/1.5118005

Zeppelin, T., Ladefoged, L. K., Sinning, S. & Schiøtt, B. (2019). Substrate and inhibitor binding to the serotonin transporter: Insights from computational, crystallographic, and functional studies. Neuropharmacology, 161, Artikel 107548. https://doi.org/10.1016/j.neuropharm.2019.02.030

Shi, Z., Ferreiro, S., Lothenbach, B., Geiker, M. R., Kunther, W., Kaufmann, J., Herfort, D. & Skibsted, J. (2019). Sulfate resistance of calcined clay – Limestone – Portland cements. Cement and Concrete Research, 116, 238-251. https://doi.org/10.1016/j.cemconres.2018.11.003

Hu, X. M., Pedersen, S. U. & Daasbjerg, K. (2019). Supported molecular catalysts for the heterogeneous CO₂ electroreduction. Current Opinion in Electrochemistry, 15, 148-154. https://doi.org/10.1016/j.coelec.2019.05.006

Underlin, E. N. & Jensen, H. H. (2019). Synthesis of nortropane alkaloid calystegine B₂ from methyl α-D-xylopyranoside. Carbohydrate Research, 472, 122-126. https://doi.org/10.1016/j.carres.2018.12.002

Molino, A., Holzinger, J., Lukaszuk, K. A., Rojo-Gama, D., Gunnaes, A. E., Skibsted, J., Lundegaard, L. F., Svelle, S., Beato, P., Bordiga, S. & Lillerud, K. P. (2019). Synthesis of ZSM-23 (MTT) zeolites with different crystal morphology and intergrowths: effects on the catalytic performance in the conversion of methanol to hydrocarbons. Catalysis Science & Technology, 9(23), 6782-6792. https://doi.org/10.1039/c9cy01068h

Xu, H., Sommer, S., Broge, N. L. N., Gao, J. & Iversen, B. B. (2019). The Chemistry of Nucleation: In Situ Pair Distribution Function Analysis of Secondary Building Units During UiO-66 MOF Formation. Chemistry - A European Journal, 25(8), 2051-2058. https://doi.org/10.1002/chem.201805024

Liu, X.-R., Chen, X.-M., Zhang, J., Jensen, T. R. & Chen, X. (2019). The interconversion between THF•B₃H₇ and B₃H₈-: an efficient synthetic method for MB₃H₈ (M = Li and Na). Dalton Transactions, 48(16), 5140-5143. https://doi.org/10.1039/c9dt00843h

Palle, J., Wittig, N. K., Østergaard, M., Jensen, A. B. & Birkedal, H. (2019). The osteocyte lacuno-canalicular network in bone investigated by synchrotron radiation-based techniques. I B. Müller & G. Wang (red.), Developments in X-Ray Tomography XII (Bind 11113). Artikel 1111316 SPIE. Digital Library. https://doi.org/10.1117/12.2531980

Madsen, M. M., Jensen, F., Jensen, S. K. & Thøgersen, J. (2019). The primary photo-dissociation dynamics of carboxylate anions in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics, 21(14), 7358-7366. https://doi.org/10.1039/c8cp07621a

Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). The reaction of hydrated iodide I(H₂O)^- with ozone: a new route to IO2− products. Physical Chemistry Chemical Physics, 21(32), 17546-17554. https://doi.org/10.1039/C9CP01734H

Song, L., Zhang, J. & Iversen, B. B. (2019). Thermal stability of p-type Ag-doped Mg ₃ Sb ₂ thermoelectric materials investigated by powder X-ray diffraction. Physical Chemistry Chemical Physics, 21(8), 4295-4305. https://doi.org/10.1039/c8cp07648k

Roldin, P., Ehn, M., Kurtén, T., Olenius, T., Rissanen, M. P., Sarnela, N., Elm, J., Rantala, P., Hao, L., Hyttinen, N., Heikkinen, L., Worsnop, D. R., Pichelstorfer, L., Xavier, C., Clusius, P., Öström, E., Petäjä, T., Kulmala, M., Vehkamäki, H. ... Boy, M. (2019). The role of highly oxygenated organic molecules in the Boreal aerosol-cloud-climate system. Nature Communications, 10(1), Artikel 4370. https://doi.org/10.1038/s41467-019-12338-8

Mangayayam, M., Dideriksen, K., Ceccato, M. & Tobler, D. J. (2019). The Structure of Sulfidized Zero-Valent Iron by One-Pot Synthesis: Impact on Contaminant Selectivity and Long-Term Performance. Environmental Science & Technology, 53(8), 4389-4396. https://doi.org/10.1021/acs.est.8b06480

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Institut for Kemi