Blar i forfatter Artikler, rapporter og annet (kjemi) "Castro, Abril C."

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    • Four-component relativistic 31P NMR calculations for: Trans -platinum(ii) complexes: Importance of the solvent and dynamics in spectral simulations 

      Castro, Abril C.; Fliegl, Heike; Cascella, Michele; Helgaker, Trygve; Repisky, Michal; Komorovsky, Stanislav; Medrano, María Ángeles; Quiroga, Adoración G.; Swart, Marcel (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-03-18)
      We report a combined experimental-theoretical study on the 31P NMR chemical shift for a number of trans-platinum(II) complexes. Validity and reliability of the 31P NMR chemical shift calculations are examined by comparing with the experimental data. A successful computational protocol for the accurate prediction of the 31P NMR chemical shifts was established for trans-[PtCl2(dma)PPh3] (dma = ...

    • Supramolecular coronation of platinum(II) complexes by macrocycles: Structure, relativistic DFT calculations, and biological effects 

      Sojka, Martin; Chyba, Jan; Paul, Shib Shankar; Wawrocka, Karolina; Honigova, Katerina; Cuyacot, Ben Joseph R.; Castro, Abril C.; Vaculovic, Tomas; Marek, Jaromir; Repisky, Michal; Masarik, Michal; Novotny, Jan; Marek, Radek (Journal article; Tidsskriftartikkel; Peer reviewed, 2021-11-05)
      Platinum-based anticancer drugs are actively developed utilizing lipophilic ligands or drug carriers for the efficient penetration of biomembranes, reduction of side effects, and tumor targeting. We report the development of a supramolecular host–guest system built on cationic platinum(II) compounds bearing ligands anchored in the cavity of the macrocyclic host. The host–guest binding and hydrolysis ...