Paper Info
Title
New designs for MRI contrast agents.
Abstract
New designs for Magnetic Resonance Imaging contrast agents are presented. Essentially, they all are host–guest inclusion complexes between γ-cyclodextrins and polyazamacrocycles of gadolinium (III) ion. Substitutions have been made to the host to optimise the host–guest association. Molecular mechanics calculations have been performed, using the UFF force field for metals, to decide on the suitability of the substitutions, and to evaluate the host–guest energies of association. Interesting general conclusions have been obtained, concerning the improvement of Magnetic Resonance Imaging contrast agents; namely, a set of rational methodologies have been deduced to improve the association between the gadolinium (III) chelates and the cyclodextrins, and their efficiency is demonstrated with a large set of substituted complexes, opening new doors to increase the diagnostic capabilities of Magnetic Resonance Imaging.
Year
DOI
Venue
2003
10.1023/A:1027347527385
Journal of computer-aided molecular design
Keywords
Field
DocType
cyclodextrin,gadolinium,molecular mechanics,magnetic resonance imaging,contrast agent
Force field (physics),Chemistry,Chelation,Nuclear magnetic resonance,Cyclodextrin,Gadolinium,Ion,Magnetic resonance imaging
Journal
Volume
Issue
ISSN
17
7
0920-654X
Citations 
PageRank 
References 
0
0.34
1
Authors
22
Name
Order
Citations
PageRank
Pedro Alexandrino Fernandes1477.17
Alexandra T. P. Carvalho242.18
A. T. Marques300.34
A. L. F. Pereira400.34
A. P. S. Madeira500.34
A. S. P. Ribeiro600.34
A. F. R. Carvalho700.34
E. T. A. Ricardo800.34
F. J. V. Pinto900.34
H. A. Santos1000.34
H. D. G. Mangericão1100.34
H. M. Martins1200.34
H. D. B. Pinto1300.34
Hugo R. R. Santos1400.34
Irina S. Moreira15384.98
M. J. V. Azeredo1600.34
R. P. S. Abreu1700.34
R. M. S. Oliveira1800.34
S. F. M. Sousa1900.34
R. J. A. M. Silva2000.34
Z. S. Mourão2100.34
Maria João Ramos22529.63