A possible helical model for sodium glycocholate micellar aggregates |
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Authors: | Anna Rita Campanelli Sofia Candeloro de Sanctis Luciano Galantini Edoardo Giglio Lucio Scaramuzza |
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Institution: | (1) Dipartimento di Chimica, Università di Roma La Sapienza, P.le A. Moro 5, 00185 Roma, Italy;(2) Istituto di Teoria e Struttura Elettronica e Comportamento Spettrochimico dei Composti di Coordinazione del C.N.R., Area delta Ricerca, CP 10, 00016 Monterotondo Stazione, Roma, Italy |
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Abstract: | Sodium glycocholate crystallizes in the tetragonal space group14 witha =b = 27.793(4),c = 7.937(1) Å andZ = 8. Refinement based on 2290 observed reflections led to a conventionalR = 0.10. The bile salt molecules are arranged in a helix with 21 symmetry stabilized mainly by polar interactions. Four helices are held together by hydrogen bonds involving water molecules, giving rise to hydrophilic channels, with a small cross section, which can include water molecules. The packing of these tetramers form hydrophobic channels containing some disordered acetone and water molecules. The helices will be checked as a model for the micellar aggregates of this important conjugated bile salt, following the same strategy successfully applied to sodium deoxycholate.
Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82107 (20 pages). |
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Keywords: | Sodium glycocholate X-ray crystal structure micellar aggregate model |
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