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Interaction of single‐walled carbon nanotubes and saxitoxin: Ab initio simulations and biological responses in hippocampal cell line HT‐22
Author(s) -
Ramos Patrícia,
Schmitz Marcos,
Filgueira Daza,
Votto Ana Paula,
Durruthy Michael,
Gelesky Marcos,
Ruas Caroline,
Yunes João,
Tonel Mariana,
Fagan Solange,
Monserrat José
Publication year - 2017
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1002/etc.3544
Subject(s) - carbon nanotube , ab initio , chemistry , physisorption , reactive oxygen species , nanotoxicology , viability assay , ab initio quantum chemistry methods , biophysics , adsorption , molecule , nanotechnology , in vitro , materials science , organic chemistry , toxicity , biochemistry , biology
Saxitoxins (STXs) are potent neurotoxins that also induce cytotoxicity through the generation of reactive oxygen species. Carbon nanotubes (CNTs) are nanomaterials that can promote a Trojan horse effect, facilitating the entry of toxic molecules to cells when adsorbed to nanomaterials. The interaction of pristine single‐walled (SW)CNTs and carboxylated (SWCNT‐COOH) nanotubes with STX was evaluated by ab initio simulation and bioassays using the cell line HT‐22. Cells (5 × 10 4 cells/mL) were exposed to SWCNT and SWCNT‐COOH (5 μg mL −1 ), STX (200 μg L −1 ), SWCNT+STX, and SWCNT‐COOH+STX for 30 min or 24 h. Results of ab initio simulation showed that the interaction between SWCNT and SWCNT‐COOH with STX occurs in a physisorption. The interaction of SWCNT+STX induced a decrease in cell viability. Cell proliferation was not affected in any treatment after 30 min or 24 h of exposure ( p > 0.05). Treatment with SWCNT‐COOH induced high reactive oxygen species levels, an effect attenuated in SWCNT‐COOH+STX treatment. In terms of cellular oxygen consumption, both CNTs when coexposed with STX antagonize the toxin effect. Based on these results, it can be concluded that the results obtained in vitro corroborate the semiempirical evidence found using density functional theory ab initio simulation. Environ Toxicol Chem 2017;36:1728–1737. © 2016 SETAC