Department of Chemistry

2018

Prediction of aliphatic and aromatic oil-water interfacial tension at temperatures >100 °C using COSMO-RS

Andersson, M. P., Eckert, F., Reinisch, J. & Klamt, A., 25 Nov 2018, In: Fluid Phase Equilibria. 476, Part A, p. 25-29 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

8 Citations (Scopus)

Probing heterogeneity of NIR induced secondary fluorescence from DNA-stabilized silver nanoclusters at the single molecule level

Krause, S., Carro-Temboury, M. R., Cerretani, C. & Vosch, T. A. J., 2018, In: Physical Chemistry Chemical Physics. 20, 24, p. 16316-16319 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

9 Citations (Scopus)

55 Downloads (Pure)

Products of Hexavalent Chromium Reduction by Green Rust Sodium Sulfate and Associated Reaction Mechanisms

N. Thomas, A., Eiche, E., Göttlicher, J., Steininger, R., Benning, L. G., M. Freeman, H., Dideriksen, K. & Neumann, T., Dec 2018, In: Soil Systems. 2, 4, p. 1-19 19 p., 58.

Research output: Contribution to journal › Journal article › Research › peer-review

7 Citations (Scopus)

37 Downloads (Pure)

Protein engineering approaches in the post-genomic era

Singh, R. K., Lee, J. K., Selvaraj, C., Singh, R., Li, J., Kim, S. Y. & Kalia, V. C., 1 Jan 2018, In: Current Protein and Peptide Science. 19, 1, p. 5-15 11 p.

Research output: Contribution to journal › Review › peer-review

12 Citations (Scopus)

Publisher Correction: Interactions of the Calcite {10.4} Surface with Organic Compounds: Structure and Behaviour at Mineral – Organic Interfaces

Hakim, S. S., Olsson, M. H. M., Sørensen, H. O., Bovet, N., Bohr, J., Feidenhans’l, R. & Stipp, S. L. S., 2018, In: Scientific Reports. 8, 1, 1 p.

Research output: Contribution to journal › Comment/debate › Research › peer-review

18 Downloads (Pure)

Putting the Disulfide Bridge at Risk: How UV-C Radiation Leads to Ultrafast Rupture of the S-S Bond

Bjørnholst, M. A., Skov, A. B., Clausen, C. M., Ruddock, J., Stankus, B., Weber, P. M. & Sølling, T. I., 5 Nov 2018, In: ChemPhysChem. 19, 21, p. 2829-2834

Research output: Contribution to journal › Journal article › Research › peer-review

Pyrrolidone Modification Prevents PAMAM Dendrimers from Activation of Pro-Inflammatory Signaling Pathways in Human Monocytes

Janaszewska, A., Gorzkiewicz, M., Ficker, M., Petersen, J. F., Paolucci, V., Christensen, J. B. & Klajnert-Maculewicz, B., 2 Jan 2018, In: Molecular Pharmaceutics. 15, 1, p. 12-20 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

12 Citations (Scopus)

Quantum crystallography: current developments and future perspectives

Genoni, A., Bucinsky, L., Claiser, N., Contreras-garcia, J., Dittrich, B., Dominiak, P. M., Espinosa, E., Gatti, C., Giannozzi, P., Gillet, J., Jayatilaka, D., Macchi, P., Madsen, A. Ø., Massa, L. J., Matta, C. F., Merz, K. M., Nakashima, P. N. H., Ott, H., Ryde, U., Schwarz, K., & 2 othersSierka, M. & Grabowsky, S., 1 Aug 2018, In: Chemistry - A European Journal. 24, 43, p. 10881-10905 25 p.

Research output: Contribution to journal › Journal article › Research › peer-review

56 Citations (Scopus)

Quantum Effects for a Proton in a Low-Barrier, Double-Well Potential: Core Level Photoemission Spectroscopy of Acetylacetone

Feyer, V., Prince, K. C., Coreno, M., Melandri, S., Maris, A., Evangelisti, L., Caminati, W., Giuliano, B. M., Kjærgaard, H. G. & Carravetta, V., 1 Feb 2018, In: Journal of Physical Chemistry Letters. 9, 3, p. 521-526 6 p.

Research output: Contribution to journal › Letter › peer-review

11 Citations (Scopus)

Random versus Systematic Errors in Reaction Enthalpies Computed Using Semiempirical and Minimal Basis Set Methods

Kromann, J. C., Welford, A., Christensen, A. S. & Jensen, J. H., 30 Apr 2018, In: ACS Omega. 3, 4, p. 4372-4377 6 p.

Research output: Contribution to journal › Journal article › Research › peer-review

7 Citations (Scopus)

75 Downloads (Pure)

Rationality in the new oxygen evolution catalyst development

Pittkowski, R., Krtil, P. & Rossmeisl, J., Dec 2018, In: Current Opinion in Electrochemistry. 12, p. 218-224 7 p.

Research output: Contribution to journal › Review › peer-review

14 Citations (Scopus)

Rationalizing substituent effects in 1-azathioxanthone photophysics

Junker, A. K. R. & Sorensen, T. J., Jan 2018, In: Methods and Applications in Fluorescence. 6, 1

Research output: Contribution to journal › Journal article › Research › peer-review

5 Citations (Scopus)

Rational Self-Assembly of Tricobalt Extended Metal Atom Chains and [MF₆]^2- Building Blocks into One-Dimensional Coordination Polymers

Cortijo, M., Bulicanu, V., Pedersen, K. S., Rouzieres, M., Bendix, J., Clerac, R. & Hillard, E. A., 31 Jan 2018, In: European Journal of Inorganic Chemistry. 2018, 3-4, p. 320-325 6 p.

Research output: Contribution to journal › Journal article › Research › peer-review

5 Citations (Scopus)

Rational Tuning of Fluorobenzene Probes for Cysteine-Selective Protein Modification

Embaby, A. M., Schoffelen, S., Kofoed, C., Meldal, M. P. & Diness, F., 2 Jul 2018, In: Angewandte Chemie International Edition. 57, 27, p. 8022-8026 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

23 Citations (Scopus)

Reactivity and Bonding of Mono-Atomic Carbon Coordinated to Late Transition Metals

Reinholdt, A., 2018, Department of Chemistry, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Reactivity of Electronically Excited SO₂ with Alkanes

Kroll, J. A., Frandsen, B. N., Rapf, R. J., Kjaergaard, H. G. & Vaida, V., 4 Oct 2018, In: Journal of Physical Chemistry A. 122, 39, p. 7782-7789 8 p.

Research output: Contribution to journal › Journal article › Research › peer-review

2 Citations (Scopus)

Recent advances in bimetallic electrocatalysts for oxygen reduction: design principles, structure-function relations and active phase elucidation

Escudero-Escribano, M., Jensen, K. D. & Jensen, A. W., Mar 2018, In: Current Opinion in Electrochemistry. 8, p. 135-146 12 p.

Research output: Contribution to journal › Review › peer-review

34 Citations (Scopus)

Recent insights into lytic polysaccharide monooxygenases (LPMOs)

Tandrup, T., Frandsen, K. E. H., Johansen, K. S., Berrin, J-G. & Lo Leggio, L., 31 Oct 2018, In: Biochemical Society Transactions. 46, 6, p. 1431-1447 17 p.

Research output: Contribution to journal › Review › peer-review

38 Citations (Scopus)

Relativistic DFT calculations of hyperfine coupling constants in the 5d hexafluorido complexes: [ReF₆]^2- and [IrF₆]^2-

Haase, P. A. B., Repisky, M., Komorovsky, S., Bendix, J. & Sauer, S. P. A., 6 Apr 2018, In: Chemistry: A European Journal. 24, 20, p. 5124-5133 11 p.

Research output: Contribution to journal › Journal article › Research › peer-review

8 Citations (Scopus)

Repertoire of Abs primed by bacteria in gnotobiotic mice

Khasbiullina, N. R., Shilova, N. V., Navakouski, M. E., Nokel, A. Y., Knirel, Y. A., Blixt, K. O. & Bovin, N. V., 1 Apr 2018, In: Innate Immunity. 24, 3, p. 180-187 8 p.

Research output: Contribution to journal › Journal article › Research › peer-review

6 Citations (Scopus)

51 Downloads (Pure)

Resonant Transport in Single Diketopyrrolopyrrole Junctions

Zang, Y., Ray, S., Fung, E-D., Borges, A., Garner, M. H., Steigerwald, M. L., Solomon, G. C., Patil, S. & Venkataraman, L., 17 Oct 2018, In: Journal of the American Chemical Society. 140, 41, p. 13167-13170 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

23 Citations (Scopus)

Resonant tunneling transport in single-molecule junctions

Zang, Y., Ray, S., Borges, A. C., Fung, E-D., Solomon, G. C., Patil, S. & Venkataraman, L., 2018, (Accepted/In press) In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 255

Research output: Contribution to journal › Conference article › Research › peer-review

Retraction of the dissolution front in natural porous media

Yang, Y., Bruns, S., Rogowska, M., Hakim, S. S., Hammel, J. U., Stipp, S. L. S. & Sørensen, H. O., 1 Dec 2018, In: Scientific Reports. 8, 1, 9 p., 5693.

Research output: Contribution to journal › Journal article › Research › peer-review

5 Citations (Scopus)

76 Downloads (Pure)

Reverse Bond-Length Alternation in Cumulenes: Candidates for Increasing Electronic Transmission with Length

Garner, M. H., Bro-jørgensen, W., Pedersen, P. D. & Solomon, G. C., 29 Nov 2018, In: The Journal of Physical Chemistry Part C. 122, 47, p. 26777-26789 12 p.

Research output: Contribution to journal › Journal article › Research › peer-review

38 Citations (Scopus)

Reviews and syntheses: Carbonyl sulfide as a multi-scale tracer for carbon and water cycles

Whelan, M. E., Lennartz, S. T., Gimeno, T. E., Wehr, R., Wohlfahrt, G., Wang, Y., Kooijmans, L. M. J., Hilton, T. W., Belviso, S., Peylin, P., Commane, R., Sun, W., Chen, H., Kuai, L., Mammarella, I., Maseyk, K., Berkelhammer, M., Li, K-F., Yakir, D., Zumkehr, A., & 22 othersKatayama, Y., Ogée, J., Spielmann, F. M., Kitz, F., Rastogi, B., Kesselmeier, J., Marshall, J., Erkkilä, K-M., Wingate, L., Meredith, L. K., He, W., Bunk, R., Launois, T., Vesala, T., Schmidt, J. A., Fichot, C. G., Seibt, U., Saleska, S., Saltzman, E. S., Montzka, S. A., Berry, J. A. & Campbell, J. E., 18 Jun 2018, In: Biogeosciences. 15, 12, p. 3625-3657 33 p.

Research output: Contribution to journal › Review › peer-review

43 Citations (Scopus)

38 Downloads (Pure)

Science of Synthesis: Knowledge Updates 2018/1

Nielsen, M. B. (ed.), Krause, N. (ed.), Rademann, J. (ed.), Ramsden, C. A. (ed.) & Reissig, H-U. (ed.), 2018, Stuttgart: Thieme Medical Publishers. 504 p.

Research output: Book/Report › Anthology › Communication

9 Citations (Scopus)

Screening for selective aggrecanase substrates to detect early proteolytic events in cartilage degradation

Fowkes, M. M., Meldal, M. P., Vincent, T. L. & Lim, N. H., 2018, p. S471. 1 p.

Research output: Contribution to conference › Conference abstract for conference › Research

Selective N-terminal acylation of peptides and proteins with a Gly-His tag sequence

Martos Maldonado, M. C., Hjuler, C. T., Sørensen, K. K., Thygesen, M. B., Rasmussen, J. E., Villadsen, K., Midtgaard, S. R., Kol, S., Schoffelen, S. & Jensen, K. J., 1 Dec 2018, In: Nature Communications. 9, 13 p., 3307 .

Research output: Contribution to journal › Journal article › Research › peer-review

14 Citations (Scopus)

94 Downloads (Pure)

Shining light on the antenna chromophore in lanthanide based dyes

Junker, A. K. R., Hill, L. R., Thompson, A. L., Faulkner, S. & Sørensen, T. J., 2018, In: Dalton Transactions (Print Edition). 47, 14, p. 4794-4803 10 p.

Research output: Contribution to journal › Journal article › Research › peer-review

22 Citations (Scopus)

Simultaneous Increase in Brightness and Singlet Oxygen Generation of an Organic Photosensitizer by Nanocrystallization

Fateminia, S. M. A., Kacenauskaite, L., Zhang, C., Ma, S., Kenry, Manghnani, P. N., Chen, J., Xu, S., Hu, F., Xu, B., Laursen, B. W. & Liu, B., 27 Dec 2018, In: Small. 14, 52, p. 1-6 6 p., 1803325.

Research output: Contribution to journal › Letter › peer-review

13 Citations (Scopus)

Single molecule insights on the links between conformational sampling and function

Moses, M. E., 2018, Department of Chemistry, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Single Proteoliposome High-Content Analysis Reveals Differences in the Homo-Oligomerization of GPCRs

Walsh, S. M., Mathiasen, S., Christensen, S. M., Fay, J. F., King, C., Provasi, D., Borrero, E., Rasmussen, S. G. F., Fung, J. J., Filizola, M., Hristova, K., Kobilka, B., Farrens, D. L. & Stamou, D., 17 Jul 2018, In: Biophysical Journal. 115, 2, p. 300-312 13 p.

Research output: Contribution to journal › Journal article › Research › peer-review

7 Citations (Scopus)

Site-Selective Chemical Modification and Inhibition of Cysteine Proteases

Embaby, A. M., 2018, Department of Chemistry, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Size effect studies in catalysis: a simple surfactant-free synthesis of sub 3 nm Pd nanocatalysts supported on carbon

Quinson, J., Simonsen, S. B., Kuhn, L. T., Kunz, S. & Arenz, M., 2018, In: RSC Advances. 8, 59, p. 33794-33797 4 p.

Research output: Contribution to journal › Journal article › Research › peer-review

1 Citation (Scopus)

39 Downloads (Pure)

Solvent-dependent dual fluorescence of the push-pull system 2-diethylamino-7-nitrofluorene

Larsen, M. A. B., Stephansen, A. B., Alarousu, E., Pittelkow, M., Mohammed, O. F. & Solling, T. I., 2018, In: Physical Chemistry Chemical Physics. 20, 8, p. 5942-5951 10 p.

Research output: Contribution to journal › Journal article › Research › peer-review

6 Citations (Scopus)

Spatially Localized Synthesis and Structural Characterization of Platinum Nanocrystals Obtained Using UV Light

Quinson, J., Kacenauskaite, L., Christiansen, T. L., Vosch, T., Arenz, M. & Jensen, K. M. Ø., 31 Aug 2018, In: ACS Omega. 3, 8, p. 10351-10356 6 p.

Research output: Contribution to journal › Journal article › Research › peer-review

8 Citations (Scopus)

83 Downloads (Pure)

Specific Ion Effects on the Interaction of Hydrophobic and Hydrophilic Self-Assembled Monolayers

Rios-Carvajal, T., Pedersen, N. R., Bovet, N., Stipp, S. L. S. & Hassenkam, T., 4 Sept 2018, In: Langmuir. 34, 35, p. 10254-10261 8 p.

Research output: Contribution to journal › Journal article › Research › peer-review

8 Citations (Scopus)

Split-click protein chemistry

Kofoed, C., 2018, Department of Chemistry, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Structural basis of the bacteriophage TP901‐1 CI repressor dimerization and interaction with DNA

Rasmussen, K. K., Varming, A. K., Schmidt, S. N., Frandsen, K. E. H., Thulstrup, P. W., Jensen, M. R. & Lo Leggio, L., May 2018, In: F E B S Letters. 592, 10, p. 1738-1750 13 p.

Research output: Contribution to journal › Letter › peer-review

2 Citations (Scopus)

55 Downloads (Pure)

Structure of a hyperthermostable carbonic anhydrase identified from an active hydrothermal vent chimney

Fredslund, F., Borchert, M. S., Poulsen, J-C. N., Mortensen, S. B., Perner, M., Streit, W. R. & Lo Leggio, L., Jul 2018, In: Enzyme and Microbial Technology. 114, p. 48-54 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

4 Citations (Scopus)

Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant

Lo Leggio, L., Weihe, C. D., Poulsen, J. N., Sweeney, M., Rasmussen, F., Lin, J., De Maria, L. & Wogulis, M., Nov 2018, In: Carbohydrate Research. 469, p. 55-59 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

16 Citations (Scopus)

Structure of a new usnic acid derivative from a deacylating Mannich reaction: NMR studies supported by theoretical calculations of chemical shifts

Huong Giang Thi Nguyen, Vinh Ngoc Nguyen, Kamounah, F. S. & Hansen, P. E., Nov 2018, In: Magnetic Resonance in Chemistry. 56, 11, p. 1094-1100 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

Structure of calcite–aqueous NaCl solution interfaces from ambient to elevated temperatures

Sakuma, H., Sørensen, H. O., Kawano, J., Bovet, N., Fukushi, K., Nishiyama, N. & Nakao, H., 1 Jan 2018, In: Journal of Mineralogical and Petrological Sciences. 113, 5, p. 232-244

Research output: Contribution to journal › Journal article › Research › peer-review

30 Downloads (Pure)

Structure of Nanoparticles Derived from Designer Surfactant TPGS-750-M in Water, As Used in Organic Synthesis

Andersson, M. P., Gallou, F., Klumphu, P., Takale, B. S. & Lipshutz, B. H., 7 May 2018, In: Chemistry: A European Journal. 24, 26, p. 6778-6786 9 p.

Research output: Contribution to journal › Journal article › Research › peer-review

34 Citations (Scopus)

Subphthalocyanine-radiaannulene scaffold – a multi-electron acceptor and strong chromophore

Lissau, H. S., Andersen, C. L., Storm, F. E., Santella, M., Hammerich, O., Hansen, T., Mikkelsen, K. V. & Nielsen, M. B., 2018, In: Chemical Communications. 22, p. 2763-2766 4 p., 54.

Research output: Contribution to journal › Journal article › Research › peer-review

3 Citations (Scopus)

Surface and Interface Properties of Graphene Oxide From Structure to Applications

Liu, Z., 2018, Department of Chemistry, Faculty of Science, University of Copenhagen.

Research output: Book/Report › Ph.D. thesis

Sustainable Flow Synthesis of Encoded Beads for Combinatorial Chemistry and Chemical Biology

Hu, H., Nikitin, S., Berthelsen, A. B., Diness, F., Schoffelen, S. & Meldal, M. P., 13 Aug 2018, In: ACS Combinatorial Science. 20, 8, p. 492-498 7 p.

Research output: Contribution to journal › Journal article › Research › peer-review

6 Citations (Scopus)

Symmetry-induced kinetic isotope effects in the dissociation dynamics of CHCl₃+ and CHCl₄−

Petersen, A. C., Sølling, T. I. & Waters, M. D. J., 14 Nov 2018, In: Chemical Physics. 515, p. 375-380 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

3 Citations (Scopus)

Synergy of Two Highly Specific Biomolecular Recognition Events: Aligning an AT-Hook Peptide in DNA Minor Grooves via Covalent Conjugation to 2′-Amino-LNA

Ejlersen, M., Christensen, N. J., Sørensen, K. K., Jensen, K. J., Wengel, J. & Lou, C., 18 Apr 2018, In: Bioconjugate Chemistry. 29, p. 1025-1029 5 p.

Research output: Contribution to journal › Journal article › Research › peer-review

4 Citations (Scopus)

Synthesis, Characterization, and Reactivity of PCN Pincer Nickel Complexes

Mousa, A. H., Bendix, J. & Wendt, O. F., 13 Aug 2018, In: Organometallics. 37, 15, p. 2581-2593 14 p.

Research output: Contribution to journal › Journal article › Research › peer-review

19 Citations (Scopus)

Department of Chemistry

Research output

Search results