Decreased structure on dissolving methane in water

Buchanan, P; Aldiwan, Nawaf; Soper, A. K.; Creek, Jefferson L.; Koh, Carolyn A.

doi:10.1016/j.cplett.2005.08.064

Cited by 130 publications

(112 citation statements)

References 24 publications

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“…For instance, in neutron scattering studies the oxygenoxygen distances of the solvating water molecules were observed to be similar as in bulk liquid water. [2][3][4][5] However, the dynamics of water molecules surrounding hydrophobic groups were observed to be very different from bulk liquid water. In both NMR and femtosecond midinfrared spectroscopy measurements, it was observed that the solvating water molecules show much slower orientational dynamics than the molecules in bulk liquid water.…”

Section: Introductionmentioning

confidence: 99%

Strong temperature dependence of water reorientation in hydrophobic hydration shells

Petersen

Tielrooij

Bakker

2009

The Journal of Chemical Physics

118

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We study the temperature dependence of the orientational mobility of water molecules solvating hydrophobic molecular groups with femtosecond midinfrared spectroscopy. We observe that these dynamics show a strong temperature dependence. At temperatures Ͻ30°C the solvating water molecules show a reorientation time Ͼ10 ps, which is more than four times slower than in bulk water. With increasing temperature, the reorientation of the solvating molecules strongly accelerates and becomes much more equal to the reorientation rate of the molecules in the bulk liquid. These observations indicate that water molecules form relatively rigid solvation structures around hydrophobic molecular groups that melt at elevated temperatures.

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Section: Introductionmentioning

confidence: 99%

Strong temperature dependence of water reorientation in hydrophobic hydration shells

Petersen

Tielrooij

Bakker

2009

The Journal of Chemical Physics

118

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“…Neutron scattering experiments of molecules of methane dissolved in water support the findings from tetramethylurea, and do not suggest that icebergs (i.e., regions of water with a density less than that of bulk water) form around the molecules of gas. [34] The molecules of water surrounding methanol participate, on average, in three or fewer hydrogen bonds (and are responsible for the an unfavorable enthalpy of solvation), [94] but retain a disordered structure similar to the bulk.…”

Section: The Structure Of Water In the Bulk And The Structure Of Watmentioning

confidence: 99%

“…from non-polar phases to aqueous phases by postulating a network of structured waters forms around the non-polar surfaces, although experimental programs employing neutron scattering, which is exquisitely sensitive to water structure, have repeatedly probed the structure of aqueous solutions containing non-polar molecules, and have not provided support for the notion that water in contact with these hydrophobic solutes is more "ordered" than water in the bulk. [34][35][36] B. "Lock and Key"…”

Section: The Power Of Metaphor (For Bad or Good)mentioning

confidence: 99%

Is it the shape of the cavity, or the shape of the water in the cavity?

Snyder

Lockett

Moustakas

et al. 2013

Eur. Phys. J. Spec. Top.

127

190

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“…Recent work indicates that the nature of hydrophobicity differs depending on whether small molecules or large clusters are considered (4)(5)(6)(7). A small number of methane molecules in water show little tendency to aggregate (8,9). On such small length-scales, water can host and ''wet'' the hydrophobic species without significant modification of its intermolecular organization (7,10).…”

mentioning

confidence: 99%

Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding

Daidone

Ulmschneider

Nola

et al. 2007

Proc. Natl. Acad. Sci. U.S.A.

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Recent work has shown that the nature of hydration of pure hydrophobic surfaces changes with the length scale considered: water hydrogen-bonding networks adapt to small exposed hydrophobic species, hydrating or ''wetting'' them at relatively high densities, whereas larger hydrophobic areas are ''dewetted'' [Chandler D (2005), Nature 29:640 -647]. Here we determine whether this effect is also present in peptides by examining the folding of a ␤-hairpin (the 14-residue amyloidogenic prion protein H1 peptide), using microsecond time-scale molecular dynamics simulations. Two simulation models are compared, one explicitly including the water molecules, which may thus adapt locally to peptide configurations, and the other using a popular continuum approximation, the generalized Born/surface area implicit solvent model. The results obtained show that, in explicit solvent, peptide conformers with high solvent-accessible hydrophobic surface area indeed also have low hydration density around hydrophobic residues, whereas a concomitant higher hydration density around hydrophilic residues is observed. This dewetting effect stabilizes the fully folded ␤-hairpin state found experimentally. In contrast, the implicit solvent model destabilizes the fully folded hairpin, tending to cluster hydrophobic residues regardless of the size of the exposed hydrophobic surface. Furthermore, the rate of the conformational transitions in the implicit solvent simulation is almost doubled with respect to that of the explicit solvent. The results suggest that dehydration-driven solvent exposure of hydrophobic surfaces may be a significant factor determining peptide conformational equilibria.hydrophobicity ͉ hydration density ͉ molecular dynamics simulation ͉ explicit and implicit solvent model ͉ ␤-hairpin

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Decreased structure on dissolving methane in water

Cited by 130 publications

References 24 publications

Strong temperature dependence of water reorientation in hydrophobic hydration shells

Strong temperature dependence of water reorientation in hydrophobic hydration shells

Is it the shape of the cavity, or the shape of the water in the cavity?

Dehydration-driven solvent exposure of hydrophobic surfaces as a driving force in peptide folding

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