Trimethylamine N-Oxide

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Laiyuan Wang - One of the best experts on this subject based on the ideXlab platform.

Stanley L. Hazen - One of the best experts on this subject based on the ideXlab platform.

Sandip Paul - One of the best experts on this subject based on the ideXlab platform.

  • Hydrophobic interactions in water-Trimethylamine-N-Oxide solutions: the effects of pressure.
    The journal of physical chemistry. B, 2009
    Co-Authors: Nikhil Biyani, Sandip Paul
    Abstract:

    Molecular dynamics simulations were performed to obtain the effects of pressure on the potentials of mean force between a pair of neopentane molecules immersed in water as well as in aqueous solutions containing Trimethylamine-N-Oxide (TMAO). It was found that the hydrophobic attraction acting between a neopentane pair in pure water increases with increasing pressure. However, the hydrophobic attraction diminishes by the addition of TMAO even at high pressure. This strongly suggests that TMAO does not counter the pressure induced protein denaturation by enhancing hydrophobic attraction among nonpolar groups.

  • Hydrophobic interactions in urea-Trimethylamine-N-Oxide solutions.
    The journal of physical chemistry. B, 2008
    Co-Authors: Sandip Paul, G. N. Patey
    Abstract:

    The influence of osmolytes urea and Trimethylamine-N-Oxide (TMAO) on hydrophobic interactions is investigated employing molecular dynamics simulations. These osmolytes are of interest because of their opposing influence on proteins in solution; the denaturing effect of urea can be countered with TMAO. A neopentane pair is used to model typical nonpolar entities. Binary water−urea and water−TMAO as well as ternary water−urea−TMAO systems are considered. Neopentane−neopentane potentials of mean force, neopentane−water, and neopentane−osmolyte distribution functions are reported. Urea is found to have only modest influence on the neopentane−neopentane potential of mean force, but the hydrophobic attraction is completely destroyed by the presence of TMAO. It is shown that TMAO tends to act as a simple “surfactant” displacing water and urea (if it is present) from the first solvation shell of neopentane. It is likely the surfactant-like influence of TMAO that accounts for the elimination of the hydrophobic att...

  • The influence of urea and Trimethylamine-N-Oxide on hydrophobic interactions.
    The journal of physical chemistry. B, 2007
    Co-Authors: Sandip Paul, G. N. Patey
    Abstract:

    Molecular dynamics simulations are used to obtain potentials of mean force for pairs of neopentane molecules immersed in aqueous solutions containing urea, Trimethylamine-N-Oxide (TMAO), or both solutes at once. It is shown that the hydrophobic attraction acting between neopentane pairs in pure water and in water-urea solution is completely destroyed by the addition of TMAO. This strongly suggests that TMAO does not counter the protein denaturing effect of urea by enhancing hydrophobic attraction amongst nonpolar groups.

Yan Hong-bing - One of the best experts on this subject based on the ideXlab platform.

Yu Tan - One of the best experts on this subject based on the ideXlab platform.