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Related Experiment Videos

Computer simulation of Gd(III) speciation in human interstitial fluid.

Jinping Wang1, Haiyuan Zhang, Kuiyue Yang

  • 1Key Laboratory of Rare Earth Chemistry and Physics, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, PR China.

Biometals : an International Journal on the Role of Metal Ions in Biology, Biochemistry, and Medicine
|February 4, 2005
PubMed
Summary

Gadolinium (Gd(III)) speciation in human interstitial fluid shows soluble forms at low concentrations. At higher levels, insoluble GdPO4 and Gd2(CO3)3 precipitate, with soluble species like free Gd(III) and complexes dominating until high concentrations favor [Gd3(OH)4].

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Area of Science:

  • Environmental Chemistry
  • Biomedical Science
  • Computational Chemistry

Background:

  • Gadolinium (Gd(III)) is used in medical imaging contrast agents.
  • Understanding Gd(III) behavior in biological fluids is crucial for safety assessments.
  • Human interstitial fluid represents a key biological compartment for metal ion distribution.

Purpose of the Study:

  • To investigate the speciation and distribution of Gd(III) in human interstitial fluid.
  • To determine the concentration thresholds for precipitation of Gd(III) species.
  • To identify the predominant soluble and insoluble Gd(III) species under varying concentrations.

Main Methods:

  • Computer simulations were employed to model Gd(III) speciation.
  • Thermodynamic calculations were used to predict the formation of soluble and insoluble species.

Related Experiment Videos

  • Analysis covered a range of Gd(III) concentrations relevant to physiological and potential exposure scenarios.

    • Main Results:

    • At background concentrations, Gd(III) exists as soluble species without precipitation.
    • Insoluble GdPO4 precipitates above 2.610 x 10(-9) mol/l, followed by Gd2(CO3)3.
    • Soluble species include free Gd(III), Gd(HSA), Gd(Ox), and Gd(III)-citrate complexes; [Gd3(OH)4] predominates at high concentrations.

    Conclusions:

    • Gd(III) speciation is highly concentration-dependent in human interstitial fluid.
    • Precipitation of Gd(III) occurs at relatively low concentrations, forming GdPO4 and Gd2(CO3)3.
    • Complexation with biological ligands and formation of hydroxides significantly influence Gd(III) distribution.