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
UR - https://hdl.handle.net/21.15107/rcub_vinar_5824
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",
url = "https://hdl.handle.net/21.15107/rcub_vinar_5824"
}
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.
https://hdl.handle.net/21.15107/rcub_vinar_5824
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.
https://hdl.handle.net/21.15107/rcub_vinar_5824 .
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,
https://hdl.handle.net/21.15107/rcub_vinar_5824 .
