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Molecular Simulation-Aided Preparation of Molecularly Imprinted Polymeric Solid-Phase Microextraction Coatings for Kojic Acid Detection in Wheat Starch and Flour Samples

文献类型： 外文期刊

作者： Wang, Dan 1 ; Yang, Yi 1 ; Xu, Zhigang 1 ; Liu, Yujian 1 ; Liu, Zhimin 1 ; Lin, Tao 2 ; Chen, Xinglian 2 ; Liu, Hongcheng 2 ;

作者机构： 1.Kunming Univ Sci & Technol, Fac Sci, Kunming 650500, Yunnan, Peoples R China

2.Yunnan Acad Agr Sci, Inst Qual Stand & Testing Technol, Kunming 650223, Yunnan, Peoples R China

关键词： Molecular imprinting; Solid-phase microextraction; Molecular simulation; Kojic acid; Porous material

期刊名称：FOOD ANALYTICAL METHODS （ 影响因子：2.667； 五年影响因子：2.551 ）

ISSN： 1936-9751

年卷期：

页码：

收录情况： SCI

摘要： An effective method based on molecularly imprinted polymer solid-phase microextraction (MIP-SPME) to assess the risk of kojic acid (KA) in food was proposed in this work. KA is widely used in the food industry but may have potential hazards, such as carcinogenicity. Herein, theoretical simulation and UV-vis spectrum were applied to investigate the synthesis procedure of MIP. The molecular simulation was in marked contrast with the traditional complicated preparation optimization of MIP-SPME coating. The prepared MIP-SPME fiber coating was a mesoporous material with high porosity, the leading cause of better mass transfer of target analytes in complex media. Furthermore, a novel theoretical simulation method of annealing operation was used to obtain the hydrogen bond interaction force for every possible or even dominate action site in the template-monomer system. In addition, compared to the existing approaches of KA determination, this method exhibited ultralow limits of quantification (0.20 and 0.72 mu g L-1); it was successfully used for the selective trace detection of KA in wheat flour and starch. The proposed MIP-SPME approach, as a strategy for the risk assessment of KA, is proven to have great stability, high sensitivity and reproducibility.

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