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Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma

Ivan Jakovljević, Ɖorde Petrović, Ljubinka Joksović, Ivan Lazarević, Predrag Ɖurdević

Abstract


The speciation of Al3+, Gd3+ and Y3+ ions in human plasma has been studied by computer simulation using the program HySS2009. A literature computer model of blood plasma was updated and comprised 9 metals, 43 ligands and over 6100 complexes. To this model critically evaluated data of Al3+, Gd3+ and Y3+ constants with blood plasma ligands have been added. Low molecular mass (LMM) speciation of Al3+ ion strongly depends upon the chosen equilibrium model of the metal – phosphate and metal – citrate systems. The obtained computer simulation of LMM speciation data of Al3+ ion were: AlPO4Cit (40.7%), AlPO4CitOH (22.9%), AlCitOH (19.2%) and AlPO4(OH) (12.7%) (% of total LMM Al species pool); for Gd3+ ion: GdAspCit (30%) and GdCit(OH)2 (20%) (% of total [Gd]) and for Y3+ ion: YCit (48%), Y(CO3)2 (32%) and Y(CO3) (11%) (% of total [Y]). Citrate appears as the important binding and mobilizing ligand for all examined ions, while the dominating species are the ternary ones.


Keywords


Aluminum, gadolinium, yttrium, speciation, blood plasma

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Copyright (c) 2013 Ivan Jakovljević, Ɖorde Petrović, Ljubinka Joksović, Ivan Lazarević, Predrag Ɖurdević

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