Karg, Beatrice - Résultats de la recherche

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Simulations of electric field gradient fluctuations and dynamics around sodium ions in ionic liquids / Gimbal-Zofka, Yann (Geneva U.) ; Karg, Beatrice (Geneva U.) ; Dziubinska-Kühn, Katarzyna (CERN ; U. Leipzig (main)) ; Kowalska, Magdalena (CERN) ; Wesolowski, Tomasz A (Geneva U.) ; Rumble, Christopher A (Penn State U., Altoona)
The T1 relaxation time measured in nuclear magnetic resonance experiments contains information about electric field gradient (EFG) fluctuations around a nucleus, but computer simulations are typically required to interpret the underlying dynamics. This study uses classical molecular dynamics (MD) simulations and quantum chemical calculations, to investigate EFG fluctuations around a Na+ ion dissolved in the ionic liquid 1-ethyl 3-methylimidazolium tetrafluoroborate, [Im21][BF4], to provide a framework for future interpretation of NMR experiments [...]
2022 - 11 p. - Published in : J. Chem. Phys. 157 (2022) 244502

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Time‐Dependent Hydrogen Bond Network Formation in Glycerol‐Based Deep Eutectic Solvents / Dziubinska-Kühn, Katarzyna (CERN ; Leipzig U.) ; Pupier, Marion (U. Geneva (main)) ; Matysik, Jörg (Leipzig U.) ; Viger-Gravel, Jasmine (U. Geneva (main)) ; Karg, Beatrice (CERN ; U. Geneva (main)) ; Kowalska, Magdalena (CERN)
Over the last few years, Deep Eutectic Solvents have gained popularity as a novel class of green solvents, due to their feasible synthesis and overall low production costs. The properties of glycerol (Gly)-based Deep Eutectic Solvents are frequently associated with the formation of an extended hydrogen bond network. [...]
2022 - 10 p. - Published in : ChemPhysChem 23 (2022) e2021008

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Influence of alkali metals on water dynamics inside imidazolium-based ionic liquid nano-domains / Dziubinska-Kühn, Katarzyna (CERN ; Leipzig U.) ; Maddah, Mina (Azzahra U.) ; Pupier, Marion (Geneva U.) ; Matysik, Jörg (Leipzig U.) ; Viger-Gravel, Jasmine (Geneva U.) ; Kowalska, Magdalena (CERN) ; Karg, Beatrice (CERN ; Geneva U.)
The global need to expand the design of energy-storage devices led to the investigation of alkali metal - Ionic Liquid (IL) mixtures as a possible class of electrolytes. In this study, 1D and 2D Nuclear Magnetic Resonance (NMR) and Electrochemical Impedance Spectroscopy (EIS) as well as Molecular Dynamics (MD) simulations were used to study the intermolecular interactions in imidazolium-based IL - water - alkali halide ternary mixtures. [...]
2022 - 14 p. - Published in : Front. Chem. 10 (2022) 1028912 Publication: PDF;

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Liquid $\beta$-NMR studies of the interaction of Na and K cations with DNA G-quadruplex structures / Karg, Beatrice (University de Geneve) ; Kowalska, Magdalena (CERN)
CERN-INTC-2022-001 ; INTC-P-560-ADD-1. - 2022.
Fulltext - Original Document (INTC-P-560)

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Structural analysis of water in ionic liquid domains – A low pressure study / Dziubinska-Kühn, Katarzyna (CERN ; Leipzig U.) ; Croese, Jared (CERN ; Geneva U.) ; Pupier, Marion (Geneva U.) ; Matysik, Jörg (Leipzig U.) ; Viger-Gravel, Jasmine (Geneva U.) ; Karg, Beatrice (CERN ; Geneva U.) ; Kowalska, Magdalena (CERN)
Imidazolium-based ionic liquids (ILs) are frequently used solvents, due to their peculiar structure resulting in low melting points. Recent studies revealed the direct impact of the water molecules on the self-structuring of the IL nano-domains. [...]
2021 - Published in : J. Mol. Liq. 334 (2021) 116447 fulltext from publisher: PDF;

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Liquid $\beta$-NMR studies of the interaction of Na and K cations with DNA G-quadruplex structures / Karg, Beatrice (University of Geneva, Geneva, Switzerland) ; Kowalska, Magdalena (CERN, Geneva, Switzerland)
CERN-INTC-2020-034 ; INTC-P-560. - 2020.
Fulltext

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Voir aussi: noms d'auteurs similaires
1	Karg, B
3	Karg, B.

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