title: Computer simulation of Gd(III) speciation in human interstitial fluid.
abstract: The speciation and distribution of Gd(III) in human interstitial fluid was studied by computer simulation. The results show that at the background concentration, all the Gd(III) species are soluble and no precipitates appear. However as the total concentration of Gd(III) rises above 2.610 x 10(-9) mol/l, the insoluble species become predominant. GdPO4 is formed first as a precipitate and then Gd2(CO3)3. Among soluble species, free Gd(III), [Gd(HSA)] , [Gd(Ox)] and the ternary complexes of Gd(III) with citrate as the primary ligand are main species when the total concentration of Gd(III) is below 2.074 x 10(-2) mol/l. With the total concentration of Gd(III) further rising, [Gd3(OH)4] begins to appear and gradually becomes a predominant species.
authors.affiliation: Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, PR China.
authors.forename: Jinping
authors.initials: J
authors.lastname: Wang
authors.forename: Haiyuan
authors.initials: H
authors.lastname: Zhang
authors.forename: Kuiyue
authors.initials: K
authors.lastname: Yang
authors.forename: Chunji
authors.initials: C
authors.lastname: Niu
mesh_terms: D003198:Computer Simulation; D004305:Dose-Response Relationship, Drug; D045604:Extracellular Fluid / Q000378:metabolism*; D005682:Gadolinium / Q000032:analysis / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D008954:Models, Biological; D012984:Software
chemical_list: D008024:Ligands; D005682:Gadolinium