Citation: Jin Ping WANG, Hai Yuan ZHANG, Chun Ji NIU, Jia Zuan NI. Computer Simulation of Gd(Ⅲ) Speciation in Human Interstitial Fluid[J]. Chinese Chemical Letters, ;2003, 14(2): 217-218. shu

Computer Simulation of Gd(Ⅲ) Speciation in Human Interstitial Fluid

Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022

Received Date: 15 April 2002

Fund Project: We thank the NNSFC for financial support of this work (Project Nos.2989028029971029).

The speciation and distribution of Gd(Ⅲ) in human interstitial fluid was studied by computer simulation.Meantime artificial neural network was applied to the estimation of log β values of complexes.The results show that the precipitate species, GdPO₄ and Gd₂(CO₃)₃, are the predominant species.Among soluble species, the free Gd(Ⅲ), [Gd(HSA)] , [Gd(Ox)] and then the ternary complexes of Gd(Ⅲ) with citrate are main species and [Gd₃(OH)₄] becomes the predominant species at the Gd(Ⅲ) total concentration of 2.2×10^-2mol/L.
- Computer simulation,
- gadolinium(Ⅲ),
- speciation,
- human interstitial fluid
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