Literature DB >> 17431524

Separable cooperative and localized translational motions of water confined by a chemically heterogeneous environment.

Cecile Malardier-Jugroot1, Teresa Head-Gordon.   

Abstract

We report quasi-elastic neutron scattering experiments at two resolutions that probe timescales of picoseconds to nanoseconds for the hydration dynamics of water, confined in a concentrated solution of N-acetyl-leucine-methylamide (NALMA) peptides in water over a temperature range of 248 K to 288 K. The two QENS resolutions used allow for a clean separation of two observable translational components, and ultimately two very different relaxation processes, that become evident when analyzed under a combination of the jump diffusion model and the relaxation cage model. The first translational motion is a localized beta-relaxation process of the bound surface water, and exhibits an Arrhenius temperature dependence and a large activation energy of approximately 8 kcal mol(-1). The second non-Arrhenius translational component is a dynamical signature of the alpha-relaxation of more fluid water, exhibiting a glass transition temperature of approximately 116 K when fit to the Volger Fulcher Tamman functional form. These peptide solutions provide a novel experimental system for examining confinement in order to understand the dynamical transition in bulk supercooled water by removing the unwanted interface of the confining material on water dynamics.

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Year:  2007        PMID: 17431524     DOI: 10.1039/b616997j

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  2 in total

1.  Dynamics and mechanism of ultrafast water-protein interactions.

Authors:  Yangzhong Qin; Lijuan Wang; Dongping Zhong
Journal:  Proc Natl Acad Sci U S A       Date:  2016-06-23       Impact factor: 11.205

2.  Current status of the AMOEBA polarizable force field.

Authors:  Jay W Ponder; Chuanjie Wu; Pengyu Ren; Vijay S Pande; John D Chodera; Michael J Schnieders; Imran Haque; David L Mobley; Daniel S Lambrecht; Robert A DiStasio; Martin Head-Gordon; Gary N I Clark; Margaret E Johnson; Teresa Head-Gordon
Journal:  J Phys Chem B       Date:  2010-03-04       Impact factor: 2.991

  2 in total

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