Ultrafast energy relaxation dynamics of amide I vibrations coupled with protein-bound water molecules

Junjun Tan, Jiahui Zhang, Chuanzhao Li, Yi Luo () and Shuji Ye ()
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Junjun Tan: University of Science and Technology of China
Jiahui Zhang: University of Science and Technology of China
Chuanzhao Li: University of Science and Technology of China
Yi Luo: University of Science and Technology of China
Shuji Ye: University of Science and Technology of China

Nature Communications, 2019, vol. 10, issue 1, 1-6

Abstract: Abstract The influence of hydration water on the vibrational energy relaxation in a protein holds the key to understand ultrafast protein dynamics, but its detection is a major challenge. Here, we report measurements on the ultrafast vibrational dynamics of amide I vibrations of proteins at the lipid membrane/H2O interface using femtosecond time-resolved sum frequency generation vibrational spectroscopy. We find that the relaxation time of the amide I mode shows a very strong dependence on the H2O exposure, but not on the D2O exposure. This observation indicates that the exposure of amide I bond to H2O opens up a resonant relaxation channel and facilitates direct resonant vibrational energy transfer from the amide I mode to the H2O bending mode. The protein backbone motions can thus be energetically coupled with protein-bound water molecules. Our findings highlight the influence of H2O on the ultrafast structure dynamics of proteins.

Date: 2019
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DOI: 10.1038/s41467-019-08899-3

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