Thermodynamic modeling of crystal deposition in humans*
Erich Königsberger and Lan-Chi Königsberger
Institut für Physikalische Chemie, Montanuniversität
Leoben, A-8700 Leoben, Austria
Abstract: The prevention and treatment of crystal deposition
in the human body are based on the understanding of the physicochemical
properties underlying the precipitation of the substances involved.
Among these properties, the solubilities of the crystals are very important.
Recently, experimentally determined solubility data of substances related
to urolithiasis, such as calcium oxalate hydrates, uric acid and urates,
cystine, and xanthine, were critically assessed. Unfortunately, reported
solubilities of these substances were found to be either scarce or in
large disagreement. Consequently, detailed studies were carried out
in our laboratory, and the results will be discussed in this communication
with emphasis on the thermodynamic consistency of the experimentally
determined data. Since proper modeling of the solubilities of these
substances in artificial urine solutions serves as a prerequisite for
solubility predictions in real urine, the Joint Expert Speciation System
(JESS) software package was employed to create a comprehensive computer
model including the relevant, low-molecular inorganic and organic components
of urine. The results of the simulations lead to some useful suggestions
regarding the prevention and treatment of stone disease.
*Lecture presented at the 9th IUPAC International
Symposium on Solubility Phenomena (9th ISSP), Hammamet, Tunisia, 25
28 July 2000. Other presentations are published
in this issue, pp. 761844.
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