Citation: Bo GAO, Shan-Shan TANG, Jun-Bo LIU, Rui-Fa JIN. Computational Simulation and Electrochemically Deposited Molecularly Imprinted Polymer-coated Carbon Glass Electrode for Triclosan Detection[J]. Chinese Journal of Structural Chemistry, ;2020, 39(7): 1252-1260. doi: 10.14102/j.cnki.0254–5861.2011–2589 shu

Computational Simulation and Electrochemically Deposited Molecularly Imprinted Polymer-coated Carbon Glass Electrode for Triclosan Detection

a.
College of Resources and Environment, Jilin Agricultural University, Changchun 130118, China
b.
College of Chemistry and Chemical Engineering, Chifeng University, Chifeng 024000, China

Corresponding author: Jun-Bo LIU, liujb@ccut.edu.cn
Received Date: 30 August 2019
Accepted Date: 24 November 2019

Fund Project: the Jilin Provincial Education Department Foundation of China JJKH20170293KJ

Figures(8)

Triclosan, a kind of multi-purpose biocide, was widely used household cleaning and personal care products. The widespread use of triclosan has potential risk to the ecotype and human health due to its release into sediment, surface and ground water resources. A molecularly imprinted electrochemical sensor for triclosan detection in cosmetic emulsion was synthesized and characterized. In order to determine the suitable monomer and evaluate the template-monomer geometry as well as the interaction energy in the template-monomer prepolymerization mixture, a computational study was applied. We found that the complex formed by hybrid monomers (triclosan(o-phenylenediamine-co-resorcinol)) had more hydrogen bonds and larger binding energy than that by single kind of monomers (triclosan(o-phenylenediamine)₂ and triclosan(resorcinol)₂). Therefore, hybrid monomers were used to synthesize the imprinted electrochemical sensor, which exhibits a high sensitivity and selectivity for triclosan sensing with the detection range 0~15 ng·mL^-1 and detection limit 0.41 ng·mL^-1.
- computational simulation,
- electrochemical synthesis,
- molecular imprinting,
- triclosan,
- hybrid monomers
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