Unanticipated favoured adsorption affinity of Th(iv) ions towards bidentate carboxylate functionalized carbon nanotubes (CNT–COOH) over tridentate diglycolamic acid functionalized CNT: density functional theoretical investigation

RSC Advances ◽  
2015 ◽  
Vol 5 (97) ◽  
pp. 80076-80088 ◽  
Author(s):  
A. K. Singha Deb ◽  
Sk. M. Ali ◽  
K. T. Shenoy
Keyword(s):  
Carbon Nanotubes ◽  
Aqueous Solution ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Functionalized Carbon Nanotubes ◽  
Adsorption Affinity

CNT–COOH has higher adsorption affinity for Th4+ in aqueous solution compared to CNT–DGA, whereas pristine CNT has nil.

A clean approach for functionalized carbon nanotubes by deep eutectic solvents and their performance in the adsorption of methyl orange from aqueous solution

2019 ◽  
Vol 235 ◽  
pp. 521-534 ◽  
Author(s):  
Rusul Khaleel Ibrahim ◽  
Ahmed El-Shafie ◽  
Lai Sai Hin ◽  
Nuruol Syuhadaa Binti Mohd ◽  
Mustafa Mohammed Aljumaily ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Aqueous Solution ◽  
Methyl Orange ◽  
Deep Eutectic Solvents ◽  
Functionalized Carbon Nanotubes

N,N-diethylethanolammonium chloride based DES-functionalized carbon nanotubes for arsenic removal from aqueous solution

2017 ◽  
Vol 74 ◽  
pp. 163-173 ◽  
Author(s):  
Mohamed Khalid AlOmar ◽  
Mohammed Abdulhakim Alsaadi ◽  
Mustafa Mohammed Aljumaily ◽  
Shatirah Akib ◽  
Taha M. Jassam ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Aqueous Solution ◽  
Arsenic Removal ◽  
Functionalized Carbon Nanotubes

scholarly journals Molecular dynamics simulation study of doxorubicin adsorption on functionalized carbon nanotubes with folic acid and tryptophan

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Tahereh Arabian ◽  
Sepideh Amjad-Iranagh ◽  
Rouein Halladj
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Folic Acid ◽  
Drug Release ◽  
Functional Groups ◽  
Dynamics Simulation ◽  
Repulsive Interaction ◽  
Functionalized Carbon Nanotubes ◽  
Ph Variation

AbstractIn this work, molecular dynamics (MD) simulation is used to study the adsorption of the anticancer drug, doxorubicin (DOX), on the wall or surface of pristine and functionalized carbon nanotubes (FCNTs) in an aqueous solution. Initially, the CNTs were functionalized by tryptophan (Trp) and folic acid (FA), and then the DOX molecules were added to the system. The simulation results showed that the drug molecules can intensely interact with the FCNTs at physiological pH. Furthermore, it was found that as a result of functionalization, the solubility of FCNTs in an aqueous solution increases significantly. The effect of pH variation on drug release from both pristine and FCNTs was also investigated. The obtained results indicated that in acidic environments due to protonation of functional groups (Trp) and as a result of repulsive interaction between the DOX molecule and functional groups, the release of DOX molecules from FCNT’s surface is facilitated. The drug release is also strongly dependent on the pH and protonated state of DOX and FCNT.

Sign in / Sign up

Export Citation Format

Share Document