Trimethylamine-N-oxide

Its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations

Tatsuhiko Ohto, Johannes Hunger, Ellen H.G. Backus, Wataru Mizukami, Mischa Bonn, Yuki Nagata

    Research output: Contribution to journalReview article

    15 Citations (Scopus)

    Abstract

    The osmolyte molecule trimethylamine-N-oxide (TMAO) stabilizes the structure of proteins. As functional proteins are generally found in aqueous solutions, an important aspect of this stabilization is the interaction of TMAO with water. Here, we review, using vibrational spectroscopy and molecular dynamics simulations, recent studies on the structure and dynamics of TMAO with its surrounding water molecules. This article ends with an outlook on the open questions on TMAO-protein and TMAO-urea interactions in aqueous environments.

    Original languageEnglish
    Pages (from-to)6909-6920
    Number of pages12
    JournalPhysical Chemistry Chemical Physics
    Volume19
    Issue number10
    DOIs
    Publication statusPublished - Jan 1 2017

    Fingerprint

    Vibrational spectroscopy
    Hydration
    hydration
    Molecular dynamics
    molecular dynamics
    oxides
    Computer simulation
    spectroscopy
    proteins
    simulation
    Proteins
    Molecules
    Water
    ureas
    water
    Urea
    molecules
    Stabilization
    stabilization
    trimethyloxamine

    All Science Journal Classification (ASJC) codes

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

    Cite this

    Trimethylamine-N-oxide : Its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations. / Ohto, Tatsuhiko; Hunger, Johannes; Backus, Ellen H.G.; Mizukami, Wataru; Bonn, Mischa; Nagata, Yuki.

    In: Physical Chemistry Chemical Physics, Vol. 19, No. 10, 01.01.2017, p. 6909-6920.

    Research output: Contribution to journalReview article

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    AU - Backus, Ellen H.G.

    AU - Mizukami, Wataru

    AU - Bonn, Mischa

    AU - Nagata, Yuki

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