Computational Design and Fabrication of Enantioselective Recognition Sorbents for L-phenylalanine Benzyl Ester on Multiwalled Carbon Nanotubes Using Molecular Imprinting Technology

作     者：T Sajini Renjith Thomas Beena Mathew 

作者机构：Research&Post Graduate Department of ChemistrySt.Berchmans College(Autonomous)Affiliated to Mahatma Gandhi UniversityChanganassery School of Chemical SciencesMahatma Gandhi UniversityPriyadarsini Hills P O.Kottayan 686560India 

出 版 物：《Chinese Journal of Polymer Science》 (高分子科学（英文版）)

年 卷 期：2019年第37卷第12期

页      面：1305-1318,I0009页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 0817[工学-化学工程与技术] 08[工学] 070305[理学-高分子化学与物理] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 

主　　题：Molecular imprinting L-phenylalanine benzyl ester Density functional theory Monomer Cross-linker Selectivity 

摘      要：Computational strategies have been employed to investigate the influence of the nature of monomers and cross-linker in order to design three dimensional imprinted polymers with selective recognition sites for L-phenylalanine benzyl ester(L-PABE)***,computational chemistry methods were applied to screen the molar quantity of functional monomers that interact with one mole of the template *** of the nature of functional monomer,cross-linker,and molar ratio were determined computationally using density functional calculations with B3LYP functional and generic 6-31G basis *** acid(MAA)and ethylene glycol dimethacrylate(EGDMA)were used as the functional monomer and crosslinking agent,respectively.L-PABE imprinted polymer layered on multiwalled carbon nanotube(MWCNT)and conventional bulk MIP were synthesised and characterized as *** investigate the influence of pre-organization of binding sites on the selectivity of L-PABE,respective non-imprinted polymers were also ***-MIPs and MIPs exhibited the highest adsorption capacity towards *** synthesized polymers revealed characteristic adsorption features and selectivity towards L-PABE in comparison with those of its enantiomer analogues.