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001-es BibID:	BIBFORM067433
Első szerző:	Rodríguez-Rodríguez, Aurora
Cím:	Stable Mn2+, Cu2+ and Ln3+ complexes with cyclen-based ligands functionalized with picolinate pendant arms / Aurora Rodríguez-Rodríguez, Zoltán Garda, Erika Ruscsák, David Esteban-Gómez, Andrés de Blas, Teresa Rodríguez-Blas, Luís M. P. Lima, Maryline Beyler, Raphaël Tripier, Gyula Tircsó, Carlos Platas-Iglesias
Dátum:	2015
ISSN:	1477-9226
Megjegyzések:	In this study we present the results of the equilibrium, dissociation kinetics, DFT and X-ray crystallographic studies performed on the complexes of metal ions of biomedical importance (Mn2+, Cu2+ and Gd3+) formed with octadentate ligands based on a cyclen platform incorporating two picolinate pendant arms (dodpa2? and Medodpa2?). The stability constants of the complexes were accessed by multiple methods (pH-potentiometry, direct and competition UV-vis spectrophotometry and 1H-relaxometry). The stability constants of the complexes formed with dodpa2? and Medodpa2? do not differ significantly (e.g. log K[Mn(dodpa)] = 17.40 vs. log K[Mn(Medodpa)] = 17.46, log K[Cu(dodpa)] = 24.34?25.17 vs. log K[Cu(Medodpa)] = 24.74 and log K[Gd(dodpa)]+ = 17.27 vs. log K[Gd(Medodpa)]+ = 17.59), which indicates that the steric hindrance brought by the methyl groups has no significant effect on the stability of the complexes. The stability constants of the Mn2+ complexes formed with the cyclen dipicolinates were found to be ca. 3 log K units higher than those determined for the complex of the cyclen monopicolinate (dompa?), which indicates that the second picolinate moiety attached to the backbone of the macrocycle is very likely coordinated to the Mn2+ ion. However, the stability of the [Cu(dodpa)] and [Cu(Medodpa)] complexes agrees well with the stability constant of [Cu(dompa)]+, in line with the hexadentate coordination around the metal ion observed in the X-ray structure of [Cu(Medodpa)]. The [Gd(dodpa)]+ and [Gd(Medodpa)]+ complexes display a fairly high kinetic inertness, as the rate constants of acid catalysed dissociation (k1 = 2.5(4) ? 10?3 and 8.3(4) ? 10?4 M?1 s?1 for [Gd(dodpa)]+ and [Gd(Medodpa)]+, respectively) are smaller than the value reported for [Gd(do3a)] (k1 = 2.5 ? 10?2 M?1 s?1). The [Mn(dodpa)] complex was found to be more inert than [Mn(Medodpa)]. The results of the diffusion-ordered NMR spectroscopy (DOSY) and DFT calculations of diamagnetic [La(dodpa)]+ and [Lu(dodpa)]+ complexes indicate the formation of a trinuclear entity of the La complex in aqueous solution.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban cyclen-based ligand transition metal lanthanide picolinate pendant thermodynamic stability kinetic inertness
Megjelenés:	Dalton Transactions 44 (2015), p. 5017-5031. -
További szerzők:	Garda Zoltán (1989-) (vegyész) Ruscsák Erika (1989-) (vegyész) Esteban-Gómez, David Blas, Andrès de Rodríguez-Blas, Teresa Lima, Luís M. P. Beyler, Maryline Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár) Platas-Iglesias, Carlos
Pályázati támogatás:	OTKA-84291 OTKA OTKA-109029 OTKA TÁMOP 4.2.2.A-11/1/KONV-2012-0043 TÁMOP János Bolyai Research Scholarship MTA COST TD1004 " Theragnostics Imaging and Therapy: An Action to Develop Novel Nano-sized Systems for Imaging-Guided Drug Delivery " Egyéb CM1006 European F-Element Network (EUFEN) Actions Egyéb
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001-es BibID:	BIBFORM057620
Első szerző:	Rodríguez-Rodríguez, Aurora
Cím:	Lanthanide(III) Complexes with a Reinforced Cyclam Ligand Show Unprecedented Kinetic Inertness / Aurora Rodríguez-Rodríguez, David Esteban-Gómez, Raphaël Tripier, Gyula Tircsó, Zoltán Garda, Imre Tóth, Andrés de Blas, Teresa Rodríguez-Blas, Carlos Platas-Iglesias
Dátum:	2014
ISSN:	0002-7863
Megjegyzések:	Lanthanide(III) complexes of a cross-bridged cyclam derivative containing two picolinate pendant arms are kinetically inert in very harsh conditions such as 2 M HCl, with no dissociation being observed for at least 5 months. Importantly, the [Ln(dota)] complexes, which are recognized to be extremely inert, dissociate under these conditions with lifetimes in the range ca. 1 minute to 12 hours depending upon the Ln3+ ion. X-ray diffraction studies reveal octadentate binding of the ligand to the metal ion in the [Eu(cb-tedpa)]+ complex, while 1H and 13C NMR experiments in D2O point to the presence of a single diastereoisomer in solution with a very rigid structure. The structure of the complexes in the solid state is retained in solution, as demonstrated by the analysis of the Yb3+-induced paramagnetic shifts.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban Lanthanide(III) Complexes Reinforced Cyclam Ligand kinetics inertness picolinates
Megjelenés:	Journal Of The American Chemical Society. - 136 : 52 (2014), p. 17954-17957. -
További szerzők:	Esteban-Gómez, David Tripier, Raphaël Tircsó Gyula (1977-) (vegyész, kémia tanár) Garda Zoltán (1989-) (vegyész) Tóth Imre (1950-) (vegyész) de Blas, Andrés Rodríguez-Blas, Teresa Platas-Iglesias, Carlos
Pályázati támogatás:	Ministerio de Educación y Ciencia (MEC, CTQ2009-10721), Fondo Europeo de Desarrollo Regional (FEDER, CTQ2009-10721) and Xunta de Galicia (CN 2012/011) for generous financial support and Centro de Supercomputación de Galicia (CESGA) Egyéb COST CM1006 "European F-Element Network (EuFen) Egyéb COST TD1004 "Theragnostics Imaging and Therapy: An Action to Develop Novel Nanosized Systems for Imaging-Guided Drug Delivery" Egyéb János Bólyai Research Scholarship of the Hungarian Academy of Sciences MTA K-84291 OTKA K-109029 OTKA TÁMOP-4.2.2.A-11/1/KONV-2012-0043 TÁMOP
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