Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations

In order to explain the solubility of carbon nanotubes (CNT), including single walled CNTs, wrapped with chitosan of a 60% degree of deacetylation, MD simulations were applied to represent three chitosan concentrations, using two pristine CNTs (pCNT–pCNT), and one and two CNTs wrapped (pCNT–cwCNT an...

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Autores principales: Rungrotmongkol, Thanyada, Arsawang, Uthumporn, Iamsamai, Chularat, Vongachariya, Arthit, Dubas, Stephan T., Ruktanonchai, Uracha, Soottitantawat, Apinan, Hannongbua, Supot
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2011
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7094710/
https://www.ncbi.nlm.nih.gov/pubmed/32226088
http://dx.doi.org/10.1016/j.cplett.2011.03.066
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author Rungrotmongkol, Thanyada
Arsawang, Uthumporn
Iamsamai, Chularat
Vongachariya, Arthit
Dubas, Stephan T.
Ruktanonchai, Uracha
Soottitantawat, Apinan
Hannongbua, Supot
author_facet Rungrotmongkol, Thanyada
Arsawang, Uthumporn
Iamsamai, Chularat
Vongachariya, Arthit
Dubas, Stephan T.
Ruktanonchai, Uracha
Soottitantawat, Apinan
Hannongbua, Supot
author_sort Rungrotmongkol, Thanyada
collection PubMed
description In order to explain the solubility of carbon nanotubes (CNT), including single walled CNTs, wrapped with chitosan of a 60% degree of deacetylation, MD simulations were applied to represent three chitosan concentrations, using two pristine CNTs (pCNT–pCNT), and one and two CNTs wrapped (pCNT–cwCNT and cwCNT–cwCNT). The CNT aggregation was observed in pCNT–pCNT and pCNT–cwCNT due to van der Waals interactions between tube–tube aromatic rings, and inter-CNT bridging by chitosan, respectively. At higher chitosan concentrations, such that most to all of CNTs were wrapped with chitosan, charge–charge repulsion was found to separate robustly the cwCNTs and lead to a well dispersed solution.
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spelling pubmed-70947102020-03-25 Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations Rungrotmongkol, Thanyada Arsawang, Uthumporn Iamsamai, Chularat Vongachariya, Arthit Dubas, Stephan T. Ruktanonchai, Uracha Soottitantawat, Apinan Hannongbua, Supot Chem Phys Lett Article In order to explain the solubility of carbon nanotubes (CNT), including single walled CNTs, wrapped with chitosan of a 60% degree of deacetylation, MD simulations were applied to represent three chitosan concentrations, using two pristine CNTs (pCNT–pCNT), and one and two CNTs wrapped (pCNT–cwCNT and cwCNT–cwCNT). The CNT aggregation was observed in pCNT–pCNT and pCNT–cwCNT due to van der Waals interactions between tube–tube aromatic rings, and inter-CNT bridging by chitosan, respectively. At higher chitosan concentrations, such that most to all of CNTs were wrapped with chitosan, charge–charge repulsion was found to separate robustly the cwCNTs and lead to a well dispersed solution. Elsevier B.V. 2011-04-29 2011-03-24 /pmc/articles/PMC7094710/ /pubmed/32226088 http://dx.doi.org/10.1016/j.cplett.2011.03.066 Text en Copyright © 2011 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active.
spellingShingle Article
Rungrotmongkol, Thanyada
Arsawang, Uthumporn
Iamsamai, Chularat
Vongachariya, Arthit
Dubas, Stephan T.
Ruktanonchai, Uracha
Soottitantawat, Apinan
Hannongbua, Supot
Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title_full Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title_fullStr Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title_full_unstemmed Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title_short Increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: MD simulations
title_sort increased dispersion and solubility of carbon nanotubes noncovalently modified by the polysaccharide biopolymer, chitosan: md simulations
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7094710/
https://www.ncbi.nlm.nih.gov/pubmed/32226088
http://dx.doi.org/10.1016/j.cplett.2011.03.066
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