Polar confinement modulates solvation behavior of methane molecules.
Polar confinement induces an amorphous solidlike state of water characterized by an orientational correlation time longer than hundreds of picoseconds and significant structural disorder. Solvation behavior of methane molecules is dramatically modulated under polar confinement. Moreover our simulations indicate that the charges equivalent to those borne by atoms of amino acids could generate an electric field which is strong enough to stimulate the phase transition of water. In our results, polar confinement is found to be more capable of aggregating hydrophobic molecules. This study raises an interesting mechanism by which the cagelike structure of the Escherichia coli chaperonin GroEL and the cochaperonin GroES complex helps protein folding.
Xu
Weixin
W
School of Biological Sciences, Nanyang Technological University, Singapore 637551, Singapore.
Mu
Yuguang
Y
D018835:Chaperonin 10 / Q000737:chemistry / Q000378:metabolism; D018834:Chaperonin 60 / Q000737:chemistry / Q000378:metabolism; D004926:Escherichia coli; D057927:Hydrophobic and Hydrophilic Interactions; D008697:Methane / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D012997:Solvents / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D018835:Chaperonin 10; D018834:Chaperonin 60; D012997:Solvents; D014867:Water; D008697:Methane