Glass transition in biomolecules and the liquid-liquid critical point of water

Kumar, Pradeep ; Yan, Z. ; Xu, L. ; Mazza, M. G. ; Buldyrev, S. V. ; Chen, S.-H. ; Sastry, S. ; Stanley, H. E. (2006) Glass transition in biomolecules and the liquid-liquid critical point of water Physical Review Letters, 97 (17). 177802_1-177802_4. ISSN 0031-9007

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Official URL: http://prl.aps.org/abstract/PRL/v97/i17/e177802

Related URL: http://dx.doi.org/10.1103/PhysRevLett.97.177802

Abstract

Using molecular dynamics simulations, we investigate the relation between the dynamic transitions of biomolecules (lysozyme and DNA) and the dynamic and thermodynamic properties of hydration water. We find that the dynamic transition of the macromolecules, sometimes called a "protein glass transition," occurs at the temperature of dynamic crossover in the diffusivity of hydration water and also coincides with the maxima of the isobaric specific heat CP and the temperature derivative of the orientational order parameter. We relate these findings to the hypothesis of a liquid-liquid critical point in water. Our simulations are consistent with the possibility that the protein glass transition results from crossing the Widom line, which is defined as the locus of correlation length maxima emanating from the hypothesized second critical point of water.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:72722
Deposited On:29 Nov 2011 04:52
Last Modified:27 Dec 2011 08:36

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