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: AlPO(4)Cit (40.7%), AlPO(4)CitOH (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.
TY - JOUR
AU - Jakovljević, Ivan
AU - Petrović, Đorđe
AU - Joksović, Ljubinka G.
AU - Lazarević, Ivan
AU - Durdevic, Predrag
PY - 2013
UR - https://vinar.vin.bg.ac.rs/handle/123456789/5824
AB - 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: AlPO(4)Cit (40.7%), AlPO(4)CitOH (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.
T2 - Acta Chimica Slovenica
T1 - Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma
VL - 60
IS - 4
SP - 861
EP - 869
ER -
@article{
author = "Jakovljević, Ivan and Petrović, Đorđe and Joksović, Ljubinka G. and Lazarević, Ivan and Durdevic, Predrag",
year = "2013",
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: AlPO(4)Cit (40.7%), AlPO(4)CitOH (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.",
journal = "Acta Chimica Slovenica",
title = "Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma",
volume = "60",
number = "4",
pages = "861-869"
}
Jakovljević, I., Petrović, Đ., Joksović, L. G., Lazarević, I.,& Durdevic, P.. (2013). Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma. in Acta Chimica Slovenica, 60(4), 861-869.
Jakovljević I, Petrović Đ, Joksović LG, Lazarević I, Durdevic P. Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma. in Acta Chimica Slovenica. 2013;60(4):861-869..
Jakovljević, Ivan, Petrović, Đorđe, Joksović, Ljubinka G., Lazarević, Ivan, Durdevic, Predrag, "Computer Simulation of Speciation of Trivalent Aluminum, Gadolinium and Yttrium Ions in Human Blood Plasma" in Acta Chimica Slovenica, 60, no. 4 (2013):861-869.
