Computer Science
Scientific paper
Feb 1996
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1996jched..73..165l&link_type=abstract
Journal of Chemical Education, vol. 73, Issue 2, p.165
Computer Science
Scientific paper
This paper briefly describes two computer programs, BEST and ECCLES, both available on disc, that can generate distribution diagrams for various metal-complexes in human blood plasma. Two heavy metals, lead and mercury, are used as examples. The species distribution vs pH diagrams are based on formation constants obtained from our own potentiometric study of the mercury-glutathione system. The efficacy of a chelating agent for mobilizing a metal ion from the liable metal-protein complex portion of blood, PMI index, is discussed as well. The paper points out that computer modelling of metal speciation in human blood plasma has led to the design of important new therapeutic chelating agents.
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