Zobrazeno 1 - 10 of 140 pro vyhledávání: '"Lars Hemmingsen"'
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Akademický článek
Probing the Bioinorganic Chemistry of Cu(I) with 111Ag Perturbed Angular Correlation (PAC) Spectroscopy
Autor: Victoria Karner, Attila Jancso, Lars Hemmingsen
Publikováno v: Inorganics, Vol 11, Iss 10, p 375 (2023)
The two most common oxidation states of copper in biochemistry are Cu(II) and Cu(I), and while Cu(II) lends itself to spectroscopic interrogation, Cu(I) is silent in most techniques. Ag(I) and Cu(I) are both closed-shell d10 monovalent ions, and to s
Externí odkaz: https://doaj.org/article/63169d1ab5ba4ecf9eb3b9925fe409a5
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2
Calculation of electric field gradients in Cd(ii) model complexes of the CueR protein metal site
Autor: Catriona A. O’Shea, Rasmus Fromsejer, Stephan P. A. Sauer, Kurt V. Mikkelsen, Lars Hemmingsen
Publikováno v: Physical Chemistry Chemical Physics. 25:12277-12283
DFT functionals are tested against CCSD(T) for the calculation of EFGs, and applied to model systems of the CueR metal site. Large model systems are required for accurate results. Nuclear decay of Ag(i) to Cd(ii) leads to distortion of the metal site
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a0b3887b2c43e768f9c296150c78c279
https://doi.org/10.1039/d2cp05574k
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3
Molecular Rotational Correlation Times and Nanoviscosity Determined by 111m Cd Perturbed Angular Correlation (PAC) of γ‐rays Spectroscopy
Autor: Rasmus Fromsejer, Marianne L. Jensen, Matthew O. Zacate, Victoria L. Karner, Vincent L. Pecoraro, Lars Hemmingsen
Publikováno v: Fromsejer, R, Jensen, M L, Zacate, M O, Karner, V, Pecoraro, V L & Hemmingsen, L 2023, ' Molecular rotational correlation times and nanoviscosity determined by 111m Cd perturbed angular correlation (PAC) of γ-rays spectroscopy ', Chemistry: A European Journal, vol. 29, no. 9, e202203084 . https://doi.org/10.1002/chem.202203084
The nanoviscosity experienced by molecules in solution may be determined through measurement of the molecular rotational correlation time, τc, for example, by fluorescence and NMR spectroscopy. With this work, we apply PAC spectroscopy to determine
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d90e9c11cfed24b360361ba20265cfa6
https://doi.org/10.1002/chem.202203084
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5
An Extremely Stable Interprotein Tetrahedral Hg(Cys) 4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH
Autor: Marek Łuczkowski, Michał Padjasek, Józef Ba Tran, Lars Hemmingsen, Olga Kerber, Jelena Habjanič, Eva Freisinger, Artur Krężel
Publikováno v: Luczkowski, M, Padjasek, M, Tran, J B, Hemmingsen, L, Kerber, O, Habjanic, J, Freisinger, E & Krezel, A 2022, ' An Extremely Stable Interprotein Tetrahedral Hg(Cys) 4 Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH ', Chemistry: A European Journal, vol. 28, no. 66, e202202738 . https://doi.org/10.1002/chem.202202738
In nature, thiolate-based systems are the primary targets of divalent mercury (Hg-II) toxicity. The formation of Hg(Cys)(x) cores in catalytic and structural protein centers mediates mercury's toxic effects and ultimately leads to cellular damage. Mu
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19db6526485fe2545ad4269b7939105a
https://doi.org/10.1002/chem.202202738
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6
Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations
Autor: Rasmus Fromsejer, Heinz Haas, Kurt V. Mikkelsen, Lars Hemmingsen
Publikováno v: Fromsejer, R, Haas, H, Mikkelsen, K & Hemmingsen, L 2022, ' Calculation of electric field gradients for CdI2 in the gas phase using BOMD simulations ', Chemical Physics Letters, vol. 801, 139704 . https://doi.org/10.1016/j.cplett.2022.139704
The nuclear quadrupole interaction (NQI) of quadrupolar nuclei in molecules in the gas phase has recently been quantified experimentally by the technique of Perturbed Angular Correlation (PAC) spectroscopy. Interpretation of the NQI data must rely on
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6364807c8c444b0907b30037603b31b3
https://curis.ku.dk/ws/files/312697743/1_s2.0_S0009261422003712_main.pdf
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9
Towards in vivo applications of111 Ag perturbed angular correlation of γ-rays (PAC) spectroscopy
Autor: Marianna Tosato, Mattia Asti, Valerio Di Marco, Marianne L. Jensen, Juliana Schell, Thien Thanh Dang, Ulli Köster, Mikael Jensen, Lars Hemmingsen
Publikováno v: Tosato, M, Asti, M, Di Marco, V, Jensen, M L, Schell, J, Dang, T T, Koster, U, Jensen, M & Hemmingsen, L 2022, ' Towards in vivo applications of 111 Ag perturbed angular correlation of γ-rays (PAC) spectroscopy ', Applied Radiation and Isotopes, vol. 190, 110508 . https://doi.org/10.1016/j.apradiso.2022.110508
Tosato, M, Asti, M, Di Marco, V, Jensen, M L, Schell, J, Dang, T T, Köster, U, Jensen, M & Hemmingsen, L 2022, ' Towards in vivo applications of 111 Ag perturbed angular correlation of γ-rays (PAC) spectroscopy ', Applied Radiation and Isotopes, vol. 190, 110508 . https://doi.org/10.1016/j.apradiso.2022.110508
111Ag-perturbed angular correlation of γ-rays (PAC) spectroscopy provides information on the nuclear quadrupole interactions, and thereby on the local structure and dynamics of the silver ion binding site. Brownian rotational motion, i.e. rotational
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01c6ecb45e30d72ad6ec9bd2507af5d5
https://curis.ku.dk/ws/files/327056141/1_s2.0_S0969804322003931_main.pdf
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10
Tying Up a Loose End:On the Role of the C-Terminal CCHHRAG Fragment of the Metalloregulator CueR
Autor: Ria K. Balogh, Béla Gyurcsik, Mikael Jensen, Peter W. Thulstrup, Ulli Köster, Niels Johan Christensen, Marianne L. Jensen, Éva Hunyadi‐Gulyás, Lars Hemmingsen, Attila Jancsó
Publikováno v: Balogh, R K, Gyurcsik, B, Jensen, M, Thulstrup, P W, Köster, U, Christensen, N J, Jensen, M L, Hunyadi-Gulyás, É, Hemmingsen, L & Jancsó, A 2022, ' Tying Up a Loose End : On the Role of the C-Terminal CCHHRAG Fragment of the Metalloregulator CueR ', ChemBioChem, vol. 23, no. 16, e202200290 . https://doi.org/10.1002/cbic.202200290
Balogh, R K, Gyurcsik, B, Jensen, M, Thulstrup, P W, Koester, U, Christensen, N J, Jensen, M L, Hunyadi-Gulyas, E, Hemmingsen, L & Jancso, A 2022, ' Tying Up a Loose End : On the Role of the C-Terminal CCHHRAG Fragment of the Metalloregulator CueR ', ChemBioChem, vol. 23, no. 16, 202200290 . https://doi.org/10.1002/cbic.202200290
The transcriptional regulator CueR is activated by the binding of CuI, AgI, or AuI to two cysteinates in a near-linear fashion. The C-terminal CCHHRAG sequence in Escherichia coli CueR present potential additional metal binding ligands and here we ex
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e6e74408ddfdb1383338cefccbfcb8c
https://orbit.dtu.dk/en/publications/6368e5c3-04de-46e9-b93c-38c71b9f0688
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Plný text Recenzováno Digitální knihovna AV ČR
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