• High relaxivity Mn2+-based MRI contrast agents 

      Regueiro-Figueroa, Martín; Rolla, Gabriele A.; Esteban-Gómez, David; Blas, Andrés de; Rodríguez-Blas, Teresa; Botta, Mauro; Platas-Iglesias, Carlos (Wiley, 2014-12-16)
      [Abstract] Stable Mn2+ mono- and binuclear complexes containing pentadentate 6,6′-((methylazanediyl)bis(methylene)) dipicolinic acid coordinating units give remarkably high relaxivities due to the presence of two inner-sphere ...
    • Optimising the relaxivities of Mn2+ complexes by targeting human serum albumin (HSA) 

      Forgács, Attila; Tei, Lorenzo; Baranyai, Zsolt; Esteban-Gómez, David; Platas-Iglesias, Carlos; Botta, Mauro (Royal Society of Chemistry, 2017-07-14)
      [Abstract] We report two novel macrocyclic ligands based on the 1,4-DO2AM platform (1,4-DO2AM = 2,2′-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetamide) and containing two benzyl groups attached either to the nitrogen ...
    • Transient versus static electron spin relaxation in Mn2+ complexes relevant as MRI contrast agents 

      Platas-Iglesias, Carlos; Esteban-Gómez, David; Helm, Lothar; Regueiro-Figueroa, Martín (American Chemical Society, 2016-08-18)
      [Abstract] The zero-field splitting (ZFS) parameters of the [Mn(EDTA)(H2O)]2–·2H2O and [Mn(MeNO2A)(H2O)]·2H2O systems were estimated by using DFT and ab initio CASSCF/NEVPT2 calculations (EDTA = 2,2′,2″,2‴-(ethane-1,2-di ...