There has been a great deal of interest recently into the impact of trimethylamine N-oxide (TMAO) on the local hydrogen bonding networks of water in biological media. It has been suggested that the strong net dipole of TMAO is capable of restructuring the local water network, which results in modified protein folding dynamics and enhanced stability in biological systems. Here, we investigate intermolecular interactions between TMAO molecules and between TMAO molecules and water using a diamond anvil cell and also Raman Under Nitrogen Spectroscopy (RUNS). We also investigate isotope effects by studying the perdeuterated analogue (TMAO-d9) and compare our results to electronic structure theory.

Intermolecular interactions between TMAO and water: Restructuring the water hydrogen bonding network

255th National Meeting (2018)

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