Citation: Gao Bo, Yang Hongwei, Song Wenqi, Zhang Yuxing, Guan Ping. Molecular Simulation-Aided Design of L-Phenylalanine-Imprinted Polymers and Its Properties[J]. Chemistry, ;2019, 82(3): 251-257. shu

Molecular Simulation-Aided Design of L-Phenylalanine-Imprinted Polymers and Its Properties

Gao Bo ^1,, ,
Yang Hongwei ¹ ,
Song Wenqi ¹ ,
Zhang Yuxing ¹ ,
Guan Ping ^2,,

1.
School of Medicine, Xijing University Xi'an 710123
2.
School of Science, Northwestern Polytechnical University, Xi'an 710072

Corresponding author: Gao Bo, gaoboo_1989@126.com Guan Ping, guanping1113@nwpu.edu.cn
Received Date: 26 August 2018
Accepted Date: 24 September 2018

Figures(8)

In this paper, the molecularly imprinted assembly system of L-phenylalanine (L-Phe) as template molecule, 1-vinyl-3-carboxymethylimidazolium chloride ([VIM]Cl), methacrylic acid (MAA) or 4-vinyl pyridine (4-VP) as functional monomer, ethylene glycol dimethacrylate EGDMA) as cross-linking agent was analyzed via Gaussian 09 calculation software and fluorescence spectroscopy to predict a proper functional monomer, aiming to prepare L-phenylalanine-imprinted polymers (L-MIPs). The effects of functional monomers on the adsorption performance and imprinting factor of L-MIPs were studied through the experimental system, and the adsorption behaviors of L-MIP prepared with[VIM]Cl, MAA and 4-VP as functional monomers were compared finally. In addition, the morphology, surface element composition and thermal stability of L-MIP were studied by multiple characterization methods. When using[VIM]Cl as monomer, the obtained L-MIP exhibited the best imprinting effect and had good thermal stability within 300℃. The maximum imprinting factor (α) of the obtained L-MIPs could reach 3.86 and the maximum adsorption capacity of L-MIPs for L-Phe was 33.08 mg/g. Compared with the structural analogues of D-Phe, L-His and L-Trp, the recognition factor (β) were 1.24, 1.41 and 1.30 respectively. Therefore, it has important significance for selecting proper functional monomer in molecular imprinting system and predicting the performance of MIP through computer simulation.
- Molecular simulation,
- Aided design,
- Molecularly imprinted polymer,
- L-Phenylalanine
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