Angle, Kyle J; Nowak, Christopher M.; Davasam, Aakash; Dommer, Abigail C.; Wauer, Nicholas A.; Amaro, Rommie E.; Grassian, Vicki H. (2022). Data from: Amino Acids are Driven to the Interface by Salts and Acidic Environments. In Center for Aerosol Impacts on Chemistry of the Environment (CAICE). UC San Diego Library Digital Collections. https://doi.org/10.6075/J0RB74SB

Publication abstract: Amino acids (AAs), the building blocks of proteins, are enriched by several orders of magnitude in sea spray aerosols compared to ocean waters. This suggests that AAs may reside at the air-water interface and be highly surface active. Using surface tension measurements, infrared reflection-absorption spectroscopy, and molecular dynamics simulations, we show that AAs are surface active and that salts and low pH environments are drivers of surface activity. At typical sea spray salt concentrations and pH values, we determine that the surface coverage of hydrophobic AAs increases by approximately one order of magnitude. Additionally, divalent cations such as Ca2+ and Mg2+ can further increase surface propensity, particularly at neutral pH. Overall, these results indicate that AAs are likely to be found at elevated concentrations at the surface of sea spray aerosols, where they can impact cloud activation properties of the aerosol as well as enhanced peptide formation under certain conditions.

This package contains the numerical data corresponding to all of the figures shown in the main manuscript and SI. Spartan computational files of calculated amino acid IR spectra are provided. A representative pulling simulation is also given.

• Time period of project: 2021-03-19 to 2022-02-17

• 2022

• Angle, Kyle J.

• Amaro, Rommie E.
• Angle, Kyle J.
• Davasam, Aakash
• Dommer, Abigail C.
• Grassian, Vicki H.
• Nowak, Christopher M.
• Wauer, Nicholas A.

• Grassian, Vicki H.

• Acidity
• Amino acids
• Potential of Mean Force (PMF)
• Sea spray aerosol (SSA)
• Surface activity

• data

• English

Primary associated publication

• Angle, Kyle J.; Nowak, Christopher M.; Davasam, Aakash; Dommer, Abigail C.; Wauer, Nicholas A.; Amaro, Rommie. E.; Grassian, Vicki H. (2022). Amino Acids are Driven to the Interface by Salts and Acidic Environments. J. Phys. Chem. Lett., 13, 12, 2824-2829. https://doi.org/10.1021/acs.jpclett.2c00231

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2022-07-20