Abstract
The paramagnetic gadolinium(III) ion is used as contrast agent in magnetic resonance (MR) imaging to improve the lesion detection and characterization. It generates a signal by changing the relaxivity of protons from associated water molecules and creates a clearer physical distinction between the molecule and the surrounding tissues. New gadolinium-based contrast agents displaying larger relaxivity values and specifically targeted might provide higher resolution and better functional images. We have synthesized the gadolinium(III) complex of formula [Gd(thy)2(H2O)6](ClO4)3·2H2O (1) [thy = 5-methyl-1H-pyrimidine-2,4-dione or thymine], which is the first reported compound based on gadolinium and thymine nucleobase. 1 has been characterized through UV-vis, IR, SEM-EDAX, and single-crystal X-ray diffraction techniques, and its magnetic and relaxometric properties have been investigated by means of SQUID magnetometer and MR imaging phantom studies, respectively. On the basis of its high relaxivity values, this gadolinium(III) complex can be considered a suitable candidate for contrast-enhanced magnetic resonance imaging.
Highlights
Thymine is one of the four natural nitrogen bases that are precursors and part of the structure of the deoxyribonucleic acid (DNA) macromolecule [1,2]
Most of the thymine-containing complexes have been prepared with the nucleobase in the form of thyminate anion, that is, releasing one or two protons of its N-H groups, whereas the reported examples obtained with the thymine molecule acting through its carbonyl groups as a neutral ligand toward the metal are much scarcer [4,5,6,7]
The preparation, crystal structure, magnetic properties, and magnetic resonance (MR) imaging phantom studies of a novel GdIII complex based on the thymine nucleobase, of formula
Summary
Thymine is one of the four natural nitrogen bases that are precursors and part of the structure of the deoxyribonucleic acid (DNA) macromolecule [1,2]. This pyrimidine base has been widely studied, in part because of the common mutations of DNA caused when adjacent thymines are irradiated by UV light and are dimerized, generating the well-known thymine dimers [2,3]. Theoretical studies have been performed on metal clusters to investigate the preferential binding sites of the thymine molecule [8]
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