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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Yang, Wenming Liu, Lukuan Ni, Xiaoni Zhou, Wei Huang, Weihong Liu, Hong Xu, Wanzhen |
| Description | Country affiliation: China Author Affiliation: Yang W ( School of Material Science and Engineering, Jiangsu University, Zhenjiang, China.); Liu L ( School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, China.); Ni X ( Zhenjiang Institute for Drug Control of Jiangsu Province, Zhenjiang, China.); Zhou W ( Zhenjiang Institute for Drug Control of Jiangsu Province, Zhenjiang, China.); Huang W ( School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, China.); Liu H ( Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun, China.); Xu W ( School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang, China.) |
| Abstract | A molecular simulation method was introduced to compute the phenol-monomer pre-assembled system of a molecularly imprinted polymer. The interaction type and intensity between phenol and monomer were evaluated by combining binding energy and charge transfer with complex conformation. The simulation results indicate that interaction energies are simultaneously affected by the type of monomer and the ratio between phenol and monomers. At the same time, we considered that by increasing the amount of functional monomer is not always better for preparing molecularly imprinter polymers. In this study, three kinds of novel magnetic phenol-imprinted polymers with favorable specific adsorption effects were prepared by the surface imprinting technique combined with atom transfer radical polymerization. Various measures were selected to characterize the structure and morphology to obtain the optimal polymer. The characterization results show that the optimal polymer has suitable features for further adsorption process. A series of static adsorption experiments were conducted to analyze its adsorption performance, which follows the Elovich model from the kinetic analysis and the Sips equation from the isothermal analysis. To further verify the reliability and accuracy of the simulation results, the effects of different monomers on the adsorption selectivity were also determined. They display higher selectivity towards phenol than 4-nitrophenol.The results from the simulation of the pre-assembled complexes are in reasonable agreement with those from the experiment. |
| File Format | HTM / HTML |
| ISSN | 16159306 |
| Issue Number | 3 |
| Journal | Journal of Separation Science |
| Volume Number | 39 |
| e-ISSN | 16159314 |
| Language | English |
| Publisher | Wiley-VCH |
| Publisher Date | 2016-02-01 |
| Publisher Place | Germany |
| Access Restriction | One Nation One Subscription (ONOS) |
| Content Type | Text |
| Resource Type | Article |
| Subject | Analytical Chemistry Filtration and Separation |
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