Lars Bo Stegeager Hemmingsen
Associate Professor
Department of Chemistry
Universitetsparken 5, 2100 København Ø, 73 Højhus 73, Building: 73-5-T563
Member of:
- 2024
- Accepted/In press
On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study
Wu, H., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 22 Apr 2024, (Accepted/In press) In: Magnetic Resonance in Chemistry.Research output: Contribution to journal › Journal article › Research › peer-review
- 2023
- Published
- Published
Calculation of electric field gradients in Cd(II) model complexes of the CueR protein metal site
O'Shea, C. A., Fromsejer, R., Sauer, Stephan P. A., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 2023, In: Physical Chemistry Chemical Physics. 25, p. 12277-12283 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Molecular rotational correlation times and nanoviscosity determined by 111mCd perturbed angular correlation (PAC) of γ‐rays spectroscopy
Fromsejer, R., Jensen, Marianne Lund, Zacate, M. O., Karner, V., Pecoraro, V. L. & Hemmingsen, Lars Bo Stegeager, 2023, In: Chemistry: A European Journal. 29, 9, 5 p., e202203084.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Near-surface dynamics of the ionic liquid EMIM-Ac above and below the glass transition
Fujimoto, D., Karner, V. L., Dehn, M. H., Dunsiger, S. R., Hemmingsen, Lars Bo Stegeager, Kiefl, R. F., Mcfadden, R. M. L., Michal, C. A., Morris, G. D., Li, R., Pearson, M., Szunyogh, D., Thoeng, E., Ticknor, J. O., Macfarlane, W. A. & Stachura, M., 2023, In: Journal of Physics: Conference Series. 2462, 8 p., 012051.Research output: Contribution to journal › Conference article › Research › peer-review
- Published
Probing the Bioinorganic Chemistry of Cu(I) with 111Ag Perturbed Angular Correlation (PAC) Spectroscopy
Karner, V., Jancso, A. & Hemmingsen, Lars Bo Stegeager, 2023, In: Inorganics. 11, 10, 13 p., 375.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Revisiting the hydrolysis of ampicillin catalyzed by Temoneira-1 β-lactamase, and the effect of Ni(II), Cd(II) and Hg(II)
Nafaee, Z. H., Egyed, V., Jancsó, A., Tóth, A., Gerami, A. M., Dang, T. T., Heiniger-Schell, J., Hemmingsen, Lars Bo Stegeager, Hunyadi-Gulyás, É., Peintler, G. & Gyurcsik, B., 2023, In: Protein Science. 32, 12, 20 p., e4809.Research output: Contribution to journal › Journal article › Research › peer-review
- 2022
- Published
Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by 31Mg β‐Radiation‐Detected NMR Spectroscopy
Mcfadden, R. M. L., Szunyogh, D., Bravo-frank, N., Chatzichristos, A., Dehn, M. H., Fujimoto, D., Jancsó, A., Johannsen, S., Kálomista, I., Karner, V. L., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., Mckenzie, I., Mcphee, H., Morris, G. D., Pearson, M. R., Sauer, S. P. A. & 5 others, , 26 Aug 2022, In: Angewandte Chemie International Edition. 61, 35, 8 p., e202207137.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations
Fromsejer, R., Haas, H., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 16 Aug 2022, In: Chemical Physics Letters. 801, 4 p., 139704.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
An Extremely Stable Interprotein Tetrahedral Hg(Cys)4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH
Luczkowski, M., Padjasek, M., Tran, J. B., Hemmingsen, Lars Bo Stegeager, Kerber, O., Habjanic, J., Freisinger, E. & Krezel, A., 2022, In: Chemistry: A European Journal. 28, 66, 13 p., e202202738.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Towards in vivo applications of111 Ag perturbed angular correlation of γ-rays (PAC) spectroscopy
Tosato, M., Asti, M., Di Marco, V., Jensen, Marianne Lund, Schell, J., Dang, T. T., Koster, U., Jensen, M. & Hemmingsen, Lars Bo Stegeager, 2022, In: Applied Radiation and Isotopes. 190, 8 p., 110508.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Tying Up a Loose End: On the Role of the C-Terminal CCHHRAG Fragment of the Metalloregulator CueR
Balogh, R. K., Gyurcsik, B., Jensen, M., Thulstrup, Peter Waaben, Koester, U., Christensen, Niels Johan, Jensen, Marianne Lund, Hunyadi-Gulyas, E., Hemmingsen, Lars Bo Stegeager & Jancso, A., 2022, In: ChemBioChem. 23, 16, 9 p., 202200290.Research output: Contribution to journal › Journal article › Research › peer-review
- 2021
- Published
A reference compound for 199mHg perturbed angular correlation of γ-rays spectroscopy
Jancsó, A., Correia, J. G., Balogh, R. K., Schell, J., Jensen, Marianne Lund, Szunyogh, D., Thulstrup, Peter Waaben & Hemmingsen, Lars Bo Stegeager, 21 Jun 2021, In: Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment. 1002, 165154.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Free molecule studies by perturbed γ-γ angular correlation: A new path to accurate nuclear quadrupole moments
Haas, H., Röder, J., Correia, J. G., Schell, J., Fenta, A. S., Vianden, R., Larsen, E. M. H., Aggelund, P. A., Fromsejer, R., Hemmingsen, Lars Bo Stegeager, Sauer, Stephan P. A., Lupascu, D. C. & Amaral, V. S., 11 Mar 2021, In: Physical Review Letters. 126, 10-12, 6 p., 103001.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Dynamics of nuclear recoil: QM-BOMD simulations of model systems following β-decay
Fromsejer, R., Mikkelsen, Kurt Valentin & Hemmingsen, Lars Bo Stegeager, 2021, In: Physical Chemistry Chemical Physics. 23, 45, p. 25689–25698 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Perturbed angular correlation spectra due to rotating electric field gradients
Zacate, M. O. & Hemmingsen, Lars Bo Stegeager, 2021, In: Hyperfine Interactions. 242, 13 p., 56.Research output: Contribution to journal › Conference article › Research › peer-review
- 2020
- Published
Flexibility of the CueR Metal Site Probed by Instantaneous Change of Element and Oxidation State from AgI to CdII
Balogh, R. K., Gyurcsik, B., Jensen, M., Thulstrup, Peter Waaben, Köster, U., Christensen, Niels Johan, Mørch, F. J., Jensen, Marianne Lund, Jancsó, A. & Hemmingsen, Lars Bo Stegeager, 2020, In: Chemistry: A European Journal. 26, 33, p. 7451-7457 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Probing the secondary structure of individual Aβ40 amorphous aggregates and fibrils by AFM-IR spectroscopy
Herzberg, M., Szunyogh, D., Thulstrup, Peter Waaben, Hassenkam, Tue & Hemmingsen, Lars Bo Stegeager, 2020, In: ChemBioChem. p. 3521-3524 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2019
- Published
C-terminal Cysteines of CueR Act as Auxiliary Metal Site Ligands upon HgII Binding—A Mechanism To Prevent Transcriptional Activation by Divalent Metal Ions?
Balogh, R. K., Gyurcsik, B., Hunyadi-Gulyás, É., Schell, J., Thulstrup, Peter Waaben, Jancsó, A. & Hemmingsen, Lars Bo Stegeager, 2019, In: Chemistry - A European Journal. 25, 66, p. 15030–15035 6 p.Research output: Contribution to journal › Letter › Research › peer-review
- Published
Dynamics of Liquid 1-Ethyl-3-Methylimidazolium Acetate Measured with Implanted-Ion 8Li β-NMR
Fujimoto, D., McFadden, R. M. L., Dehn, M. H., Petel, Y., Chatzichristos, A., Hemmingsen, Lars Bo Stegeager, Karner, V. L., Kiefl, R. F., Levy, C. D. P., McKenzie, I., Michal, C. A., Morris, G. D., Pearson, M. R., Szunyogh, D. M., Ticknor, J. O., Stachura, M. & McFarlane, W. A., 2019, In: Chemistry of Materials. 31, 22, p. 9346-9353 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Effects of Cu(II) on the aggregation of amyloid-β
Weibull, M. G. M., Simonsen, S., Oksbjerg, C. R., Tiwari, M. K. & Hemmingsen, Lars Bo Stegeager, 2019, In: Journal of Biological Inorganic Chemistry. 24, p. 1197-1215 19 p.Research output: Contribution to journal › Review › Research › peer-review
- Published
Hg2+ and Cd2+ binding of a bioinspired hexapeptide with two cysteine units constructed as a minimalistic metal ion sensing fluorescent probe
Szekeres, L. I., Bálint, S., Galbács, G., Kálomista, I., Kiss, T., Larsen, F. H., Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2019, In: Dalton Transactions. 48, 23, p. 8327-8339Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Rotational correlation times of proteins determined by 111mCd PAC spectroscopy
Fromsejer, R. & Hemmingsen, Lars Bo Stegeager, 2019, In: Hyperfine Interactions. 240, 1, 88.Research output: Contribution to journal › Journal article › Research › peer-review
- 2018
- Published
Direct observation of Mg2+ complexes in ionic liquid solutions by 31Mg β-NMR spectroscopy
Szunyogh, D., McFadden, R. M. L., Karner, V. L., Chatzichristos, A., Day Goodacre, T., Dehn, M. H., Formenti, L., Fujimoto, D., Gottberg, A., Kallenberg, E., Kálomista, I., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., Macfarlane, W. A., McKenzie, I., Morris, G. D., Pallada, S. & 6 others, , 2018, In: Dalton Transactions. 47, 41, p. 14431-14435 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Incorporation of second coordination sphere d-amino acids alters Cd(II) geometries in designed thiolate-rich proteins
Ruckthong, L., Deb, A., Hemmingsen, Lars Bo Stegeager, Penner-Hahn, J. E. & Pecoraro, V. L., 2018, In: Journal of Biological Inorganic Chemistry. 23, 1, p. 123-135 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2017
- Published
Direct Observation of Nanosecond Water Exchange Dynamics at a Protein Metal Site
Stachura, M. K., Chakraborty, S., Gottberg, A., Ruckthong, L., Pecoraro, V. L. & Hemmingsen, Lars Bo Stegeager, 2017, In: Journal of the American Chemical Society. 139, 1, p. 79-82 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Nanosecond Dynamics at Protein Metal Sites: An Application of Perturbed Angular Correlation (PAC) of γ-Rays Spectroscopy
Chakraborty, S., Pallada, S., Pedersen, J. T., Jancso, A., Correia, J. G. & Hemmingsen, Lars Bo Stegeager, 2017, In: Accounts of Chemical Research. 50, 9, p. 2225-2232 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Quadrupole moments of Cd and Zn nuclei: When solid-state, molecular, atomic, and nuclear theory meet
Haas, H., Sauer, Stephan P. A., Hemmingsen, Lars Bo Stegeager, Kellö, V. & Zhao, P. W., 2017, In: EPL. 117, 6, 6 p., 62001.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
TDPAC and β-NMR applications in chemistry and biochemistry
Jancso, A., Correia, J. G., Gottberg, A., Schell, J., Stachura, M., Szunyogh, D. M., Pallada, S., Lupascu, D. C., Kowalska, M. & Hemmingsen, Lars Bo Stegeager, 2017, In: Journal of Physics G: Nuclear and Particle Physics. 44, 6, 25 p., 064003.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The Pathogenic A2V Mutant Exhibits Distinct Aggregation Kinetics, Metal Site Structure, and Metal Exchange of the Cu2+-Aβ Complex
Somavarapu, A. K., Shen, F., Teilum, Kaare, Zhang, J., Mossin, S., Thulstrup, Peter Waaben, Bjerrum, Morten Jannik, Tiwari, M. K., Szunyogh, D., Søtofte, P. M., Kepp, K. P. & Hemmingsen, Lars Bo Stegeager, 2017, In: Chemistry - A European Journal. 23, 55, p. 13591-13595 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Towards 31Mg-β-NMR resonance linewidths adequate for applications in magnesium chemistry
Stachura, M., McFadden, R. M. L., Chatzichristos, A., Dehn, M. H., Gottberg, A., Hemmingsen, Lars Bo Stegeager, Jancso, A., Karner, V. L., Kiefl, R. F., Larsen, F. H., Lassen, J., Levy, C. D. P., Li, R., MacFarlane, W. A., Morris, G. D., Pallada, S., Pearson, M. R., Szunyogh, D. M., Thulstrup, Peter Waaben & Voss, A., 2017, In: Hyperfine Interactions. 238, 1, 8 p., 32.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils
Ruckthong, L., Peacock, A. F. A., Pascoe, C. E., Hemmingsen, Lars Bo Stegeager, Stuckey, J. A. & Pecoraro, V. L., 2017, In: Chemistry - A European Journal. 23, 34, p. 8232-8243 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2016
- Published
Amyloid-β and α-synuclein decrease the level of metal-catalyzed reactive oxygen species by radical scavenging and redox silencing
Pedersen, J. T., Chen, S. W., Borg, C. B., Ness, S., Bahl, J. M., Heegard, N. H. H., Dobson, C. M., Hemmingsen, Lars Bo Stegeager, Cremades, N. & Teilum, Kaare, 2016, In: Journal of the American Chemical Society. 138, 12, p. 3966-3969 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Versatile Ion-polarized Techniques On-line (VITO) experiment at ISOLDE-CERN
Stachura, M. K., Gottberg, A., Johnston, K., Bissell, M. L., Ruiz, R. F. G., Martins Correia, J., Granadeiro Costa, A. R., Dehn, M., Deicher, M., Fenta, A. S., Hemmingsen, Lars Bo Stegeager, Molholt, T. E., Munch, M., Neyens, G., Pallada, S., Silva, M. R. & Zakoucky, D., 2016, In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 376, p. 369-373 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2015
- Published
Aggregation prone amyloid-β⋅CuII Species formed on the millisecond timescale at mildly acidic conditions
Pedersen, J. T., Borg, C. B., Michaels, T. C. T., Knowles, T. P. J., Faller, P., Teilum, Kaare & Hemmingsen, Lars Bo Stegeager, 2015, In: ChemBioChem. 16, 9, p. 1293-1297 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Metal ion mediated transition from random coil to β-sheet and aggregation of Bri2-23, a natural inhibitor of Aβ aggregation
Luczkowski, M., De Ricco, R., Stachura, M. K., Potocki, S., Hemmingsen, Lars Bo Stegeager & Valensin, D., 2015, In: Metallomics. 7, 3, p. 478-490 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Perspectives for the VITO beam line at ISOLDE, CERN
Garcia Ruiz, R. F., Bissel, M. L., Gottberg, A., Stachura, M. K., Hemmingsen, Lars Bo Stegeager, Neyens, G. & Severijns, N., 2015, Proceedings, 15th International Symposium on Capture Gamma-Ray Spectroscopy and Related Topics (CGS15): Dresden, Germany, August 25-29, 2014. Schwengner, R. & Zuber, K. (eds.). EDP Sciences, 6 p. 07004. (E P J Web of Conferences, Vol. 93).Research output: Chapter in Book/Report/Conference proceeding › Article in proceedings › Research › peer-review
- Published
Specificity of the metalloregulator CueR for monovalent metal ions: possible functional role of a coordinated thiol?
Szunyogh, D., Szokolai, H., Thulstrup, Peter Waaben, Larsen, F. H., Gyurcsik, B., Christensen, Niels Johan, Stachura, M. K., Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2015, In: Angewandte Chemie International Edition. 54, 52, p. 15756-15761 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Toward applications of β-NMR spectroscopy in chemistry and biochemistry
Stachura, M. K., Gottberg, A., Kowalska, M., Johnston, K. & Hemmingsen, Lars Bo Stegeager, 2015, In: Nuclear Physics News. 25, 2, p. 25-29 5 p.Research output: Contribution to journal › Journal article › Research
- Published
Variable primary coordination environments of Cd(ɪɪ) binding to three helix bundles provide a pathway for rapid metal exchange
Tebo, A. G., Hemmingsen, Lars Bo Stegeager & Pecoraro, V. L., 2015, In: Metallomics. 7, 12, p. 1555-1561 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
ZnII and HgII binding to a designed peptide that accommodates different coordination geometries
Szunyogh, D., Gyurcsik, B., Larsen, F. H., Stachura, M., Thulstrup, Peter Waaben, Hemmingsen, Lars Bo Stegeager & Jancsó, A., 2015, In: Dalton Transactions (Print Edition). 44, p. 12576–12588 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2014
- Published
Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution
Gottberg, A., Stachura, M. K., Kowalska, M., Bissell, M. L., Arcisauskaité, V., Blaum, K., Helmke, A., Johnston, K., Kreim, K., Larsen, F. H., Neugart, R., Neyens, G., Ruiz, R. F. G., Szunyogh, D., Thulstrup, Peter Waaben, Yordanov, D. T. & Hemmingsen, Lars Bo Stegeager, 2014, In: ChemPhysChem. 15, 18, p. 3929–3932 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Binding of Cu2+ to the islet amyloid polypeptide (IAPP)
Andersen-Usaj, J., Bonde, A. C., Pihl, J., Thomsen, M. F., Shavit, M., Pedersen, J. T., Teilum, Kaare, Thulstrup, Peter Waaben & Hemmingsen, Lars Bo Stegeager, 2014, In: Journal of Biological Inorganic Chemistry. 19, suppl. 2, p. S812 1 p., P 101.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
- Published
Islet amyloid polypeptide (IAPP)-Structural effects of Zn2+
Shavit, M., Bonde, A. C., Pihl, J., Thomsen, M. F., Pedersen, J. T., Andersen-Usaj, J., Teilum, Kaare, Hemmingsen, Lars Bo Stegeager & Thulstrup, Peter Waaben, 2014, In: Journal of Biological Inorganic Chemistry. 19, Suppl. 2, p. S813 1 p., P 102.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
- Published
pH dependence of amyloid-β-Cu(II) binding and oligomerization kinetics
Pedersen, J. T., Borg, C. B., Teilum, Kaare & Hemmingsen, Lars Bo Stegeager, 2014, In: Journal of Biological Inorganic Chemistry. 19, Suppl 2, p. S755 1 p.Research output: Contribution to journal › Conference abstract in journal › Research › peer-review
- 2013
- Published
Controlling self-assembly of a peptide-based material via metal-ion induced registry shift
Anzini, P., Xu, C., Hughes, S., Magnotti, E., Jiang, T., Hemmingsen, Lars Bo Stegeager, Demeler, B. & Conticello, V. P., 2013, In: Journal of the American Chemical Society. 135, 28, p. 10278-10281 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein
Jancsó, A., Szokolai, H., Roszahegyi, L., Szunyogh, D., Hemmingsen, Lars Bo Stegeager, Thulstrup, Peter Waaben & Larsen, F. H., 2013. 1 p.Research output: Contribution to conference › Poster › Research
- Published
Probing the coordination environment of the human copper chaperone HAH1: characterization of HgII-bridged homodimeric species in solution
Łuczkowski, M., Zeider, B. A., Hinz, A. V. H., Stachura, M. K., Chakraborty, S., Hemmingsen, Lars Bo Stegeager, Huffman, D. L. & Pecoraro, V. L., 2013, In: Chemistry: A European Journal. 19, 27, p. 9042-9049 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2012
- Published
Application of 204mPb perturbed angular correlation of ¿-rays spectroscopy in coordination chemistry
Vibenholt, J. E., Schau-Magnussen, M., Stachura, M. K., Bjerrum, Morten Jannik, Thulstrup, Peter Waaben, Arcisauskaité, V. & Hemmingsen, Lars Bo Stegeager, 2012, In: Inorganic Chemistry. 51, 4, p. 1992-1994 3 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Design of a peptidic turn with high affinity for HgII
Pires, S., Habjanic, J., Sezer, M., Soares, C. M., Hemmingsen, Lars Bo Stegeager & Iranzo, O., 2012, In: Inorganic Chemistry. 51, 21, p. 11339-11348 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 4233372
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Reparameterization of all-atom dipalmitoylphosphatidylcholine lipid parameters enables simulation of fluid bilayers at zero tension
Research output: Contribution to journal › Journal article › Research › peer-review
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1083
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Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein
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765
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TDPAC and β-NMR applications in chemistry and biochemistry
Research output: Contribution to journal › Journal article › Research › peer-review
Published