Computational Design and Preparation of MIPs for Atrazine Recognition on a Conjugated Polymer-Coated Microtiter Plate

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• 作者：Dhana Lakshmi ; Meshude Akbulut ; Petya K. Ivanova-Mitseva ; Michael J. Whitcombe ; Elena V. Piletska ; Kal Karim ; Olgun G眉ven ; Sergey A. Piletsky
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2013
• 出版时间：October 2, 2013
• 年：2013
• 卷：52
• 期：39
• 页码：13910-13916
• 全文大小：290K
• 年卷期：v.52,no.39(October 2, 2013)
• ISSN：1520-5045

文摘

Herein, we present a technique for the coating of microplate wells with thin layers of cross-linked polymers, as demonstrated by the preparation of a small library of molecularly imprinted polymers (MIPs) imprinted with atrazine and the corresponding control polymers (NIPs). The composition of MIPs was based on the results of a computational screening using the SYBYL suite of molecular modeling software. The monomers giving the most favorable interaction energies in a virtual monomers screening were N,N鈥?methylene-bis-acrylamide, methacrylic acid, N-phenylethylene diamine methacrylamide (NPEDMA), and itaconic acid. The polymer library was prepared by surface grafting to a layer of poly-(NPEDMA), formed by oxidative polymerization in each of the microplate wells, after activation of the methacrylamide double bonds with a photochemical iniferter (benzyl N,N-diethyldithiocarbamate). MIPs and NIPs were prepared with each of the four functional monomers, cross-linked with ethylene glycol dimethacrylate, using template-monomer ratios of 1:1, 1:2, or 1:3. Binding of the template and its structural analogs (simizine and metribuzine) was assessed by LC-MS. The method is shown to be suitable for rapid screening and optimization of MIPs, is capable of automation, and uses a simple grafting protocol compatible with conventional MIP compositions. The method not only can be used as a screening tool but could also form the basis of new MIP-based assays.