0000000000852299
AUTHOR
Simone Benazeth
Temperature and pH Dependence XAFS Study of Gd(DOTA)(-) and Gd(DTPA)(2)(-) Complexes: Solid State and Solution Structures.
We present an X-ray absorption spectroscopy study of the local structures of Gd(DTPA)(2)(-) and Gd(DOTA)(-) complexes in the crystalline state (at room and low temperatures) and in aqueous solutions exhibiting various pH values (0.15-7) at different temperatures (25-90 degrees C). Using X-ray absorption fine structure (XAFS) analysis procedures and ab initio multiple scattering calculations of XAFS spectra at the Gd L(3) edge, we reconstructed the Gd(3+) local environment, and compared it with existing structural models. From neutral pH to a value of 1.5, we found that the local environment and complex dynamics around the gadolinium ions were conserved up to 4.5 Å, and the structure agreed …
XAFS study of gadolinium and samarium bisporphyrinate complexes.
The comparative X-ray absorption spectroscopy study of gadolinium and samarium bisporphyrinate complexes represented by the formulas Gd(III)H(oep)(tpp), Gd(III)(oep)(2), Gd(III)H(tpp)(2) and Sm(III)H(oep)(tpp), Sm(III)(oep)(2), Sm(III)H(tpp)(2) is reported. The XAFS spectra are recorded on the LURE-DCI storage ring (Orsay, France) in transmission mode on the microcrystalline samples at the Gd and Sm L(3) edges. The local environment for Ln(3+) ions has been reconstructed applying one-shell and two-shell XAFS analysis procedures. The protonated and nonprotonated bisporphyrinate complexes present different XAFS features. After our analysis on the title derivatives, the gadolinium ion (at 80 K…