Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach

Yoo, Brian; Jing, Benxin; Jones, Stuart E.; Lamberti, Gary A.; Zhu, Yingxi; Shah, Jindal K.; Maginn, Edward J.

doi:10.1038/srep19889

Title: Molecular mechanisms of ionic liquid cytotoxicity probed by an integrated experimental and computational approach

Journal Article · Tue Feb 02 00:00:00 EST 2016 · Scientific Reports

DOI:https://doi.org/10.1038/srep19889· OSTI ID:1242373

Yoo, Brian ^[1]; Jing, Benxin ^[1]; Jones, Stuart E. ^[1]; Lamberti, Gary A. ^[1]; Zhu, Yingxi ^[2]; Shah, Jindal K. ^[3]; Maginn, Edward J. ^[1]

Univ. of Notre Dame, Notre Dame, IN (United States)
Wayne State Univ., Detroit, MI (United States)
Oklahoma State Univ., Stillwater, OK (United States)

Ionic liquids (ILs) are salts that remain liquid down to low temperatures, and sometimes well below room temperature. ILs have been called “green solvents” because of their extraordinarily low vapor pressure and excellent solvation power, but ecotoxicology studies have shown that some ILs exhibit greater toxicity than traditional solvents. A fundamental understanding of the molecular mechanisms responsible for IL toxicity remains elusive. Here we show that one mode of IL toxicity on unicellular organisms is driven by swelling of the cell membrane. Cytotoxicity assays, confocal laser scanning microscopy, and molecular simulations reveal that IL cations nucleate morphological defects in the microbial cell membrane at concentrations near the half maximal effective concentration (EC50) of several microorganisms. Lastly, cytotoxicity increases with increasing alkyl chain length of the cation due to the ability of the longer alkyl chain to more easily embed in, and ultimately disrupt, the cell membrane.

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Research Organization:: University of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: FG36-08GO88020

OSTI ID:: 1242373

Journal Information:: Scientific Reports, Vol. 6; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 79 works

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