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- W2891008499 abstract "Summary Trimethylamine N -oxide (TMAO) and urea are both osmolytes found in many marine animals, yet they show opposite effects in (de-)stabilizing proteins. Gaining molecular-level insights into the TMAO-urea interaction in aqueous solution is a key step in elucidating their biological roles. Here, combined ab initio molecular dynamics simulations, polarization-resolved femtosecond infrared pump-probe spectroscopy, and nuclear magnetic resonance spectroscopy reveal that the hydrophobic interaction between TMAO and urea is favorable in comparison with the hydrogen-bonding interaction. The association of the hydrophobic methyl group of TMAO with urea is driven by the large mismatch between the strong TMAO-water hydrogen bond and the weak urea-water hydrogen bond. Our observations provide a rationale for the counteraction of osmotic pressure resulting from urea by TMAO." @default.
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- W2891008499 date "2018-11-01" @default.
- W2891008499 modified "2023-10-16" @default.
- W2891008499 title "Large Hydrogen-Bond Mismatch between TMAO and Urea Promotes Their Hydrophobic Association" @default.
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- W2891008499 doi "https://doi.org/10.1016/j.chempr.2018.08.020" @default.
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