Computer simulation for effect of Pr(III) on Ca(II) speciation in human interstitial fluid
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Published on: July 24, 2016
Haiyuan Zhang1, Xing Lu, Jinping Wang
1Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.
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.

