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

Kumar, P., Yan, Z., Xu, L., Mazza, M. G., Buldyrev, S. V., Chen, S.-H., et al. (2006). Glass transition in biomolecules and the liquid-liquid critical point of water. Physical Review Letters, 97(17-27): 177802. doi:10.1103/PhysRevLett.97.177802.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-2FAD-3 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-2FAE-1
Genre: Journal Article

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 Creators:
Kumar, Pradeep, Author
Yan, Z., Author
Xu, L., Author
Mazza, Marco G.1, Author              
Buldyrev, S. V., Author
Chen, S.-H., Author
Sastry, S., Author
Stanley, H. E., Author
Affiliations:
1Group Non-equilibrium soft matter, Department of Dynamics of Complex Fluids, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063308              

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 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.

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Language(s): eng - English
 Dates: 2006-10-27
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1103/PhysRevLett.97.177802
 Degree: -

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Title: Physical Review Letters
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: 4 Volume / Issue: 97 (17-27) Sequence Number: 177802 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1