Találati lista | Tudóstér

001-es BibID:	BIBFORM057618
Első szerző:	Molnár Enikő (vegyész)
Cím:	Picolinate-Containing Macrocyclic Mn(II) Complexes as Potential MRI Contrast Agents / Enikő Molnar, Nathalie Camus, Veronique Patinec, Gabriele A. Rolla, Mauro Botta, Gyula Tircso, Ferenc K. Kalmán, Tamas Fodor, Raphael Tripier, Carlos Platas-Iglesias
Dátum:	2014
ISSN:	0020-1669
Megjegyzések:	We report the synthesis of the ligand Hnompa (6-((1,4,7-triazacyclononan- 1-yl)methyl)picolinic acid) and a detailed characterization of the Mn2+ complexes formed by this ligand and the related ligands Hdompa (6-((1,4,7,10-tetraazacyclododecan-1- yl)methyl)picolinic acid) and Htempa (6-((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)- picolinic acid). These ligands form thermodynamically stable complexes in aqueous solution with stability constants of logKMnL = 10.28(1) (nompa), 14.48(1) (dompa), and 12.53(1) (tempa). A detailed study of the dissociation kinetics of these Mn2+ complexes indicates that the decomplexation reaction at about neutral pH occurs mainly following a spontaneous dissociation mechanism. The X-ray structure of [Mn2(nompa)2(H2O)2]- (ClO4)2 shows that the Mn2+ ion is seven-coordinate in the solid state, being directly bound to five donor atoms of the ligand, the oxygen atom of a coordinated water molecule and an oxygen atom of a neighboring nompa- ligand acting as a bridging bidentate carboxylate group (1 -carboxylate). Nuclear magnetic relaxation dispersion (1 H NMRD) profiles and 17O NMR chemical shifts and transverse relaxation rates of aqueous solutions of [Mn(nompa)]+ indicate that the Mn2+ ion is six-coordinate in solution by the pentadentate ligand and one innersphere water molecule. The analysis of the 1 H NMRD and 17O NMR data provides a very high water exchange rate of the innersphere water molecule (kex 298 = 2.8 x 109 s -1 ) and an unusually high value of the 17O hyperfine coupling constant of the coordinated water molecule (AO/ = 73.3 ± 0.6 rad s-1 ). DFT calculations performed on the [Mn(nompa)(H2O)]+ ·2H2O system (TPSSh model) provide a AO/ value in excellent agreement with the one obtained experimentally
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban MRI contrast agents Mn(II) complexes equilibrium Kinetics Structure
Megjelenés:	Inorganic Chemistry. - 53 : 10 (2014), p. 5136-5149. -
További szerzők:	Camus, Nathalie Patinec, Véronique Rolla, Gabriele A. Botta, Mauro Tircsó Gyula (1977-) (vegyész, kémia tanár) Kálmán Ferenc K. (1978-) (vegyész) Fodor Tamás (1987-) (vegyész) Tripier, Raphaël Platas-Iglesias, Carlos
Pályázati támogatás:	Centro de Supercomputacion de Galicia (CESGA) Egyéb K-84291 OTKA K-109029 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
Internet cím:	Szerző által megadott URL DOI Intézményi repozitóriumban (DEA) tárolt változat
Borító:
Saját polcon: