Elucidation of the Molecular Determinants for Optimal Perfluorooctanesulfonate Adsorption Using a Combinatorial Nanoparticle Library Approach

Yin Liu, Gaoxing Su, Fei Wang, Jianbo Jia, Shuhuan Li, Linlin Zhao, Yali Shi, Yaqi Cai, Hao Zhu, Bin Zhao, Guibin Jiang, Hongyu Zhou, Bing Yan

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Perfluorooctanesulfonate (PFOS) persistently accumulates in the environment and in humans, causing various toxicities. To determine the key molecular determinants for optimal PFOS specificity and efficiency, we designed and synthesized a combinatorial gold nanoparticle (GNP) library consisting of 18 members with rationally diversified hydrophobic, electrostatic, and fluorine-fluorine interaction components for PFOS bindings. According to our findings, the electrostatic and F-F interactions between PFOS and nanoparticles are complementary. When F-F attractions are relatively weak, the electrostatic interactions are dominant. As F-F interactions increase, the electrostatic contributions are reduced to as low as 20%, demonstrating that F-F binding may overpower even electrostatic interactions. Furthermore, F-F interactions (28-79% binding efficiency) are 2-fold stronger than regular hydrophobic interactions (15-39% binding efficiency) for PFOS adsorption, explaining why these novel PFOS-binding nanoparticles are superior to other conventional materials based on either hydrophobic or electrostatic binding. The PFOS adsorption by the optimized nanoparticles performs well in the presence of ionic interferences and in environmental wastewater. This library mapping approach can potentially be applied to recognition mechanism investigation of other pollutants and facilitate the discovery of effective monitoring probes and matrices for their removal.

Original languageEnglish (US)
Pages (from-to)7120-7127
Number of pages8
JournalEnvironmental Science and Technology
Volume51
Issue number12
DOIs
StatePublished - Jun 20 2017

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Environmental Chemistry

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