Fmoc-PEG coated single-wall carbon nanotube carriers by non-covalent functionalization: an experimental and molecular dynamics study

Yeniyurt, Yesim and Kilic, Sila and Güner-Yılmaz, O. Zeynep and Bozoglu, Serdar and Meran, Mehdi and Baysak, Elif and Kurkcuoglu, Ozge and Hizal, Gurkan and Karatepe, Nilgun and Batirel, Saime and Güner, F. Seniha (2021) Fmoc-PEG coated single-wall carbon nanotube carriers by non-covalent functionalization: an experimental and molecular dynamics study. Frontiers in Bioengineering and Biotechnology, 9 . ISSN 2296-4185

Full text not available from this repository. (Request a copy)


Due to their structural characteristics at the nanoscale level, single-walled carbon nanotubes (SWNTs), hold great promise for applications in biomedicine such as drug delivery systems. Herein, a novel single-walled carbon nanotube (SWNT)-based drug delivery system was developed by conjugation of various Fmoc-amino acid bearing polyethylene glycol (PEG) chains (Mw = 2,000, 5,000, and 12,000). In the first step, full-atom molecular dynamics simulations (MD) were performed to identify the most suitable Fmoc-amino acid for an effective surface coating of SWNT. Fmoc-glycine, Fmoc-tryptophan, and Fmoc-cysteine were selected to attach to the PEG polymer. Here, Fmoc-cysteine and -tryptophan had better average interaction energies with SWNT with a high number of aromatic groups, while Fmoc-glycine provided a non-aromatic control. In the experimental studies, non-covalent modification of SWNTs was achieved by Fmoc-amino acid-bearing PEG chains. The remarkably high amount of Fmoc-glycine-PEG, Fmoc-tryptophan-PEG, and Fmoc-cysteine-PEG complexes adsorbed onto the SWNT surface, as was assessed via thermogravimetric and UV-vis spectroscopy analyses. Furthermore, Fmoc-cysteine-PEG5000 and Fmoc-cysteine-PEG12000 complexes displayed longer suspension time in deionized water, up to 1 and 5 week, respectively, underlying the ability of these surfactants to effectively disperse SWNTs in an aqueous environment. In vitro cell viability assays on human dermal fibroblast cells also showed the low cytotoxicity of these two samples, even at high concentrations. In conclusion, synthesized nanocarriers have a great potential for drug delivery systems, with high loading capacity, and excellent complex stability in water critical for biocompatibility.
Item Type: Article
Uncontrolled Keywords: carbon nanotubes; Fmoc-protected amino acids; molecular dynamic simulation; nanocarrier (nanoparticle); non-covalent modification; PEG
Divisions: Sabancı University Nanotechnology Research and Application Center
Depositing User: IC-Cataloging
Date Deposited: 03 Sep 2022 22:33
Last Modified: 03 Sep 2022 22:33

Actions (login required)

View Item
View Item