Design and development of molecularly imprinted polymers for the selective extraction of deltamethrin in olive oil: An integrated computational-assisted approach
Design and development of molecularly imprinted polymers for the selective extraction of deltamethrin in olive oil: An integrated computational-assisted approach
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DOI：
10.1016/j.chroma.2015.07.025
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发表时间：
2015-08-28
影响因子：
4.1
通讯作者：
Garcia, Raquel
中科院分区：
文献类型：
--
作者：
Martins, Nuno;Carreiro, Elisabete P.;Garcia, Raquel
这项工作首先解决了溴氰菊酯的分子印迹系统的设计和开发，旨在提供一个合适的吸附剂固相（SPE）萃取，将进一步用于实施的分析方法的痕量分析目标农药在加标橄榄油样品的选择性。为了实现这一目标，分子印迹聚合物的分子识别和选择性的初步评价已进行。为了研究这些聚合物基质中模板选择性识别的机制基础的复杂性，已经尝试使用量子化学方法提供关于模板识别的机制的新见解，特别是所使用的交联剂和溶剂的关键作用。因此，OFT计算证实了实验分子识别试验所获得的结果，使人们能够选择最合适的印迹系统的MISPE提取技术，其中包括丙烯酰胺作为功能单体和乙二醇二甲基丙烯酸酯作为交联剂。此外，分析方法，包括样品制备步骤的基础上固相萃取已实施使用这种“定制”的印迹系统作为吸附剂，从橄榄油样品的溴氰菊酯的选择性分离/预浓缩。将分子印迹固相萃取（MISPE）方法成功应用于橄榄油样品的净化，回收率达94%。(C)2015 Elsevier B. V.版权所有。
This work firstly addresses the design and development of molecularly imprinted systems selective for deltamethrin aiming to provide a suitable sorbent for solid phase (SPE) extraction that will be further used for the implementation of an analytical methodology for the trace analysis of the target pesticide in spiked olive oil samples. To achieve this goal, a preliminary evaluation of the molecular recognition and selectivity of the molecularly imprinted polymers has been performed. In order to investigate the complexity of the mechanistic basis for template selective recognition in these polymeric matrices, the use of a quantum chemical approach has been attempted providing new insights about the mechanisms underlying template recognition, and in particular the crucial role of the crosslinker agent and the solvent used. Thus, OFT calculations corroborate the results obtained by experimental molecular recognition assays enabling one to select the most suitable imprinting system for MISPE extraction technique which encompasses acrylamide as functional monomer and ethylene glycol dimethacrylate as crosslinker. Furthermore, an analytical methodology comprising a sample preparation step based on solid phase extraction has been implemented using this "tailor made" imprinting system as sorbent, for the selective isolation/pre-concentration of deltamethrin from olive oil samples. Molecularly imprinted solid phase extraction (MISPE) methodology was successfully applied for the clean-up of spiked olive oil samples, with recovery rates up to 94%. (C) 2015 Elsevier B.V. All rights reserved.