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Data from: Amino Acids are Driven to the Interface by Salts and Acidic Environments
Grassian, Vicki H
Angle, Kyle J
Date Created and/or Issued
Time period of project: 2021-03-19 to 2022-02-17
Contributing Institution
UC San Diego, Research Data Curation Program
Center for Aerosol Impacts on Chemistry of the Environment (CAICE)
Rights Information
Under copyright
Constraint(s) on Use: This work is protected by the U.S. Copyright Law (Title 17, U.S.C.). Use of this work beyond that allowed by "fair use" or any license applied to this work requires written permission of the copyright holder(s). Responsibility for obtaining permissions and any use and distribution of this work rests exclusively with the user and not the UC San Diego Library. Inquiries can be made to the UC San Diego Library program having custody of the work.
Use: This work is available from the UC San Diego Library. This digital copy of the work is intended to support research, teaching, and private study.
Rights Holder and Contact
UC Regents
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.
Research Data Curation Program, UC San Diego, La Jolla, 92093-0175 (
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.
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.
Surface activity
Potential of Mean Force (PMF)
Amino acids
Sea spray aerosol (SSA)

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