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Structure and slow dynamics of protein hydration water
Stockholm University, Faculty of Science, Department of Physics. Università Roma Tre, Italy.
Number of Authors: 42018 (English)In: Journal of Molecular Liquids, ISSN 0167-7322, E-ISSN 1873-3166, Vol. 268, p. 903-910Article in journal (Refereed) Published
Abstract [en]

We report results on the structure, local order and dynamics of water surrounding a lysozyme protein. The local order of water molecules is as much tetrahedral as in bulk water already at close vicinity of the protein but the number of hydrogen bonds depends more on the distance from the protein and gradually recovers bulk value upon moving outer. The dynamics of water seems in general to be more affected than its structure by the presence of the protein. An extremely long-relaxation detected in hydration water appears in the first monolayer around the protein, and the slow down is enhanced at low temperature. The dynamics of water within a layer of thickness 6 A is sub-diffusive up to about similar to 1 ns, above 1 ns we observe a crossover toward a hopping regime over a length-scale larger than that of nearest neighbors molecules. This hopping seems connected to transient trapping of water molecules on some specific protein domains.

Place, publisher, year, edition, pages
2018. Vol. 268, p. 903-910
Keywords [en]
Hydration water, Hopping, Protein, Structure, Hydrogen bonds
National Category
Chemical Sciences Physical Sciences
Identifiers
URN: urn:nbn:se:su:diva-161936DOI: 10.1016/j.molliq.2018.07.104ISI: 000447817400099OAI: oai:DiVA.org:su-161936DiVA, id: diva2:1262669
Available from: 2018-11-12 Created: 2018-11-12 Last updated: 2018-11-12Bibliographically approved

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