title: Computer simulation for effect of Pr(III) on Ca(II) speciation in human interstitial fluid.
abstract: A mutiphase model of metal ion speciation in human interstitial fluid was constructed and the effect of Pr(III) on Ca(II) speciation was studied. Results show that Ca(II) mainly distributes in free Ca2+, [Ca(HCO3)], and [Ca(Lac)]. Because of the competition of Pr(III) for ligands with Ca(II), with the total concentration of Pr(III) rising, the percentages of free Ca2+, [Ca(Lac)] and [Ca(His)(Thr)H3], gradually increase and the percentages of CaHPO4(aq) and [Ca(Cit)(His)H2] gradually decrease. However, the percentages of [Ca(HCO3)] and CaCO3(aq) first increase, and then begin to decrease when the total concentration of Pr(III) exceeds 6.070x10(-4) M.
authors.affiliation: Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.
authors.forename: Haiyuan
authors.initials: H
authors.lastname: Zhang
authors.forename: Xing
authors.initials: X
authors.lastname: Lu
authors.forename: Jinping
authors.initials: J
authors.lastname: Wang
authors.forename: Kuiyue
authors.initials: K
authors.lastname: Yang
authors.forename: Chunji
authors.initials: C
authors.lastname: Niu
mesh_terms: D002118:Calcium / Q000737:chemistry* / Q000494:pharmacology; D003198:Computer Simulation; D045604:Extracellular Fluid / Q000737:chemistry* / Q000187:drug effects / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D011221:Praseodymium / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D008024:Ligands; D011221:Praseodymium; D002118:Calcium