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001-es BibID:	BIBFORM057619
Első szerző:	Regueiro-Figueroa, Martín
Cím:	Highly Stable Complexes of Divalent Metal Ions (Mg(II), Ca(II) , Cu(II), Zn(II), Cd(II), and Pb(II) with a Dota-Like Ligand Containing a Picolinate Pendant / Martín Regueiro-Figueroa, Erika Ruscsák, Laura Fra, Gyula Tircsó, Imre Tóth, Andrés de Blas, Teresa Rodríguez-Blas, Carlos Platas-Iglesias, David Esteban-Gómez
Dátum:	2014
ISSN:	1434-1948
Megjegyzések:	The stability constants of complexes of the macrocyclic liganddo3a-pic4? (H4do3a-pic = 2,2 ,2 -{10-[(6-carboxypyridin-2-yl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}triacetic acid) with several divalent metal ions (Pb2+,Cd2+, Zn2+, Cu2+, Ca2+, and Mg2+) have been determined byusing pH-potentiometric titrations (I = 0.1 M KCl, 25 ?C). Thestability of these complexes follows the trend Cu2+ Cd2+?Pb2+?Zn2+ Ca2+ Mg2+. A particularly high stabilityconstant has been determined for the Cu2+ complex[logKCuL = 23.20(4)]. Analysis of the titration curves indicatethe presence of protonated forms of the complexes in solution,with protonation constants of logKM(HxL) = 6.9?2.0 (x =1, 2, or 3). The structure of the complexes in solution hasbeen investigated by using 1H and 13C NMR spectroscopyand DFT calculations performed in aqueous solution at theTPSSh/6-31G(d) level. In the case of the Pb2+ and Cd2+ complexes,relativistic effects were considered with the use ofrelativistic effective core potentials. Calculations show thatthe complexes with the largest metal ions (Pb2+ and Ca2+)are nine-coordinate, with their coordination polyhedra beingbest described as capped twisted square antiprisms. TheCd2+ and Mg2+ complexes are seven-coordinate, with themetal ions being bound to the four nitrogen atoms of the cyclenunit and the three acetate pendant arms. Finally, in theCu2+ and Zn2+ complexes, the metal ions are six-coordinated,with the metal ions being asymmetrically placed inside themacrocyclic cavity of the ligand, and the coordination polyhedracan be described as an octahedron and a trigonalprism, respectively.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban Highly Stable Complexes DOTA-like ligands Picolinate Pendant
Megjelenés:	European Journal Of Inorganic Chemistry. - 2014 : 36 (2014), p. 6165-6173. -
További szerzők:	Ruscsák Erika (1989-) (vegyész) Fra, Laura Tircsó Gyula (1977-) (vegyész, kémia tanár) Tóth Imre (1950-) (vegyész) de Blas, Andrés Rodríguez-Blas, Teresa Platas-Iglesias, Carlos Esteban-Gómez, David
Pályázati támogatás:	Xunta de Galicia (CN 2012/011), (EM 2012/ 088) Egyéb Centro de Supercomputación de Galicia (CESGA) Egyéb K-84291 OTKA TÁMOP-4.2.2.A-11/1/KONV-2012-0043 TÁMOP János Bolyai Research Scholarship of the Hungarian Academy of Sciences Egyéb COST TD1004 "Theragnostics Imaging and Therapy: An Action to Develop Novel Nanosized Systems for Imaging-Guided Drug Delivery" Action. 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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