Model for the hydration of nonpolar compounds and polymers - art. no. 051805

Citation
P. Bruscolini et L. Casetti, Model for the hydration of nonpolar compounds and polymers - art. no. 051805, PHYS REV E, 6405(5), 2001, pp. 1805
Citations number
30
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW E
ISSN journal
1063651X → ACNP
Volume
6405
Issue
5
Year of publication
2001
Part
1
Database
ISI
SICI code
1063-651X(200111)6405:5<1805:MFTHON>2.0.ZU;2-A
Abstract
We introduce an exactly solvable statistical-mechanical model of the hydrat ion of nonpolar compounds, based on grouping water molecules in clusters wh ere hydrogen bonds and isotropic interactions occurs interactions between c lusters are neglected. Analytical results show that an effective strengthen ing of hydrogen bonds in the presence of the solute, together with a geomet ric reorganization of water Molecules, are enough to yield hydrophobic beha vior. We extend our model to describe a nonpolar homopolymer in aqueous sol ution, obtaining a clear evidence of both "cold" and "warm" swelling transi tions. This suggests that our model could be relevant to describe some feat ures of protein folding.