Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations.

Ruthenium-based compounds are potential candidates for use as anticancer metallodrugs. The central ruthenium atom can be in the oxidation state +2 (e.g., RAPTA, RAED) or +3 (e.g., NAMI, KP). In this study we focus on paramagnetic NAMI analogs of a general structure [4-R-pyH]trans-[RuCl(DMSO)(4-R-py)...

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Publicado en:	Journal of the American Chemical Society Vol. 138; no. 27; pp. 8432 - 8446
Autores principales:	Novotný, Jan, Sojka, Martin, Komorovsky, Stanislav, Nečas, Marek, Marek, Radek
Formato:	Artículo
Publicado:	American Chemical Society 7/13/2016
Materias:	Nuclear magnetic resonance Ruthenium compounds Antineoplastic agents Density functional theory Hyperfine coupling Spatial distribution (Quantum optics)
Acceso en línea:	Ver este registro en EBSCOhost