Blar i forfatter "Nečas, Marek"

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    • Interpreting the paramagnetic NMR spectra of potential Ru(III) metallodrugs: synergy between experiment and relativistic DFT calculations 

      Novotný, Jan; Sojka, Martin; Komorovsky, Stanislav; Nečas, Marek; Marek, Radek (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-06-16)
      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]+ <i>trans</i>-[Ru<sup>III</sup>Cl<sub>4</sub>(DMSO)(4-R-py)]<sup>−</sup>, where 4-R-py stands for a 4-substituted pyridine. ...