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- W296732705 abstract "Aqueous-phase processing of methylglyoxal (MG) has been suggested to constitute an important source of secondary organic aerosol (SOA). The uptake of MG to aqueous particles is higher than expected because its carbonyl moieties can hydrate to form geminal diols, as well as because MG and its hydration products can undergo aldol condensation reactions to form larger oligomers in solution. MG is known to be surface active, but an improved description of its surface behavior is crucial to understanding MG-SOA formation. These studies investigate MG adsorption, focusing on its hydration state at the air-water interface, using a combined experimental and theoretical approach that involves vibrational sum frequency spectroscopy, molecular dynamics simulations, and density functional theory calculations. Together, the experimental and theoretical data show that MG exists predominantly in a singly hydrated state (diol) at the interface, with a diol-tetrol ratio at the surface higher than that for the bulk. In addition to exhibiting a strong surface activity, we find that MG significantly perturbs the water structure at the interface. The results have implications for understanding the atmospheric fate of methylglyoxal." @default.
- W296732705 created "2016-06-24" @default.
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- W296732705 creator A5048017733 @default.
- W296732705 creator A5056641211 @default.
- W296732705 creator A5058165794 @default.
- W296732705 date "2015-06-01" @default.
- W296732705 modified "2023-09-30" @default.
- W296732705 title "Hydration, Orientation, and Conformation of Methylglyoxal at the Air–Water Interface" @default.
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- W296732705 doi "https://doi.org/10.1021/acs.jpca.5b03555" @default.
- W296732705 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25989368" @default.
- W296732705 hasPublicationYear "2015" @default.
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