title: Computer simulation for effect of Pr(III) on Ca(II) speciation in human interstitial fluid.
abstract: A multiphase 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 free Ca2+, [Ca(HCO3)], and [Ca(Lac)] are the main species of Ca(II). Because of the competition of Pr(III) for ligands with Ca(II), the percentages of free Ca2+, [Ca(Lac)], and [Ca(His)(Thr)H3] increase gradually and the percentages of CaHPO4(aq) and [Ca(Cit)(His)H2] decrease gradually with the increase in the total concentration of Pr(III). However, the percentages of [Ca(HCO3)] and CaCO3(aq) first increase and then begin to decrease when the total concentration of Pr(III) exceeds 6.070 x 10-4 M.
authors.affiliation: 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
authors.forename: Jiazuan
authors.initials: J
authors.lastname: Ni
mesh_terms: D002118:Calcium / Q000378:metabolism* / Q000494:pharmacology; D003198:Computer Simulation; D045604:Extracellular Fluid / Q000737:chemistry / Q000187:drug effects / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D008670:Metals / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D008954:Models, Biological; D008956:Models, Chemical; D011221:Praseodymium / Q000378:metabolism* / Q000494:pharmacology
chemical_list: D008024:Ligands; D008670:Metals; D011221:Praseodymium; D002118:Calcium