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Dynamics of Water at Low Temperatures and Implications for Biomolecules

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Aspects of Physical Biology

Part of the book series: Lecture Notes in Physics ((LNP,volume 752))

Abstract

The biological relevance of water is a puzzle that has attracted much scientific attention. Here we recall what is unusual about water and discuss the possible implications of the unusual properties of water also known as water anomalies in biological processes. We find the surprising results that some anomalous properties of water, including results of a recent experiments on hydrated biomolecules, are all consistent with the working hypothesis of the presence of a first-order phase transition between two liquids with different densities at low temperatures and high pressures, which ends in a critical point. To elucidate the relation between dynamic and thermodynamic anomalies, we investigate the presence of this liquid–liquid critical point in several models. Using molecular dynamics simulations, we find a correlation between the dynamic transition and the locus of specific heat maxima CP max (also known as Widom line) emanating from the critical point. 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 “protein glass transition” in case of proteins, occurs at the same temperature where the dynamics of hydration water has a crossover and also coincides with the temperature of maximum of specific heat and the maximum of the temperature derivative of the orientational order parameter. Since our simulations are consistent with the possibility that the protein glass transition results from a change in the behavior of hydration water, specifically from crossing the Widom line, we explore in more details the relation between the dynamic crossover and the Widom line in a tractable model for water. We find that the dynamic crossover can be fully explained as a consequence of the thermodynamic and structural changes occurring at the Widom line of water. We, therefore, argue that the so-called “glass transition” of hydrated proteins is just a consequence of the thermodynamic and structural changes of the surrounding water.

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Authors and Affiliations

  1. Center for Studies in Physics and Biology, Rockefeller University, New York, NY 10021, USA

    P. Kumar

  2. Departament de Física Fonamental, Universitat de Barcelona, Diagonal 647, Barcelona 08028, Spain

    G. Franzese

  3. Department of Physics, Yeshiva University, 500 West 185th Street, New York, NY 10033, USA

    S.V. Buldyrev

  4. Center for Polymer Studies and Department of Physics, Boston University, Boston, MA 02215, USA

    H.E. Stanley

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  1. P. Kumar
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  2. G. Franzese
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  3. S.V. Buldyrev
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  4. H.E. Stanley
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Editors and Affiliations

  1. Depto. Fisica Fonamental, Universidad Barcelona Fac. Fisica, Marti i Franquesa, 1, 08028 Barcelona, Spain

    G. Franzese

  2. Dept. Fisica Fonamental Fac. Fisica, Marti i Franquesa, 1, 08028 Barcelona, Spain

    M. Rubi

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Kumar, P., Franzese, G., Buldyrev, S., Stanley, H. (2009). Dynamics of Water at Low Temperatures and Implications for Biomolecules. In: Franzese, G., Rubi, M. (eds) Aspects of Physical Biology. Lecture Notes in Physics, vol 752. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-78765-5_1

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