Citation: XU Wan-Zhen, QIU Chun-Xiao, HUANG Wei-Hong, YAN Yong-Sheng, LIU Hong, YANG Wen-Ming. Molecular Dynamics Simulation, Synthesis and Detection of 4-Nitrophenol Fluorescence Sensor by Hybrid Magnetic Cadmium Telluride[J]. Chinese Journal of Analytical Chemistry, ;2018, 46(8): 1222-1230. doi: 10.11895/j.issn.0253-3820.171202 shu

Molecular Dynamics Simulation, Synthesis and Detection of 4-Nitrophenol Fluorescence Sensor by Hybrid Magnetic Cadmium Telluride

1.
School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang 212013, China;
2.
School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013, China;
3.
School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, China;
4.
Institute of Theoretical Chemistry, Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China

Received Date: 27 August 2017
Revised Date: 16 May 2018

Fund Project: This work was supported by the National Natural Science Foundation of China (No. 1677064) and the Jiangsu Provincial Natural Science Foundation, China (No. K20151323, BK20151337).

Twenty five molecular imprinting prepolymerization systems were performed based on COMPASS force field to optimize the imprinting shell of the fluorescent sensor. The result revealed that the optimum mole ratio of 4-Nitrophenol (4-NP), 3-aminopropyltriethoxysilane (APTES) and tetraethylorthosilicate (TEOS) in this system was 10:20:80, which was the most stable between template and functional monomer cluster. Uniform magnetite nanaocrystals prepared by hydrothermal method were subsequently embedded in the spherical silica using the reverse microemulsion polymerization. The magnetic silica microspheres were modified with amide groups to adsorb the mercaptoacetic acid capped CdTe nanocrystals. Finally, according to the results of molecular dynamics simulation, the imprinting shell was anchored on the multifunctional nanocomposites. Under the optimal conditions, a linear relationship between relative fluorescence intensity and concentration of 4-NP was obtained covering the concentration range from 5 to 150 ng/mL with a limit of detection of 1 ng/ml. The feasibility of the fluorescent sensor was successfully evaluated through the analysis of 4-NP in river water. The recoveries were from 98.7% to 101.2%, and the relative standard deviation ranged from 1.5% to 2.4%.
- Magnetic quantum dots,
- Molecular imprinted polymers,
- 4-Nitrophenol,
- Molecular dynamics simulation
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沈阳化工大学材料科学与工程学院沈阳 110142