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Scanning electron microscopy and molecular modeling of inhibition of calcium oxalate monohydrate crystal growth inhibition by citrate and phosphocitrate

Citation

Wierzbicki, A and Sikes, CS and Sallis, JD and Madura, JD and Stevens, ED and Martin, KL, Scanning electron microscopy and molecular modeling of inhibition of calcium oxalate monohydrate crystal growth inhibition by citrate and phosphocitrate, Calcified Tissue International, 56, (4) pp. 297-304. ISSN 0171-967X (1995) [Refereed Article]

DOI: doi:10.1007/BF00318050

Abstract

Binding of citrate and phosphocitrate to calcium oxalate monohydrate crystals has been studied using scanning electron microscopy (SEM) and molecular modeling. Phosphocitrate structure has been resolved using low temperature X-ray analysis and ab initio computational methods. The (-1 0 1) crystal surface of calcium oxalate monohydrate is involved in binding of citrate and phosphocitrate, as shown by SEM and molecular modeling. Citrate and phosphocitrate conformations and binding energies to (-1 0 1) faces have been obtained and compared to binding to another set of calcium-rich planes (0 1 0). Difference in inhibitory properties of these compounds has been attributed to better coordination of functional groups of phosphocitrate with calcium ions in (-1 0 1). Relevance of this study to design of new calcium oxalate monohydrate inhibitors is discussed. © 1995 Springer-Verlag New York Inc.

Item Details

Item Type:Refereed Article
Research Division:Chemical Sciences
Research Group:Other Chemical Sciences
Research Field:Chemical Sciences not elsewhere classified
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Sallis, JD (Dr John Sallis)
ID Code:6228
Year Published:1995
Web of Science® Times Cited:43
Deposited By:Biochemistry
Deposited On:1995-08-01
Last Modified:2011-08-25
Downloads:0

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