Computer-aided design of magnetic dummy molecularly imprinted polymers for solid-phase extraction of ten phthalates from food prior to their determination by GC-MS/MS
文献类型: 外文期刊
作者: Lu, Chunxia 1 ; Tang, Zonggui 2 ; Gao, XiaoXu 1 ; Ma, Xiaomei 3 ; Liu, Changbin 3 ;
作者机构: 1.Yangtze Normal Univ, Life Sci & Technol Inst, Chongqing 408100, Peoples R China
2.Xinjiang Acad Agr & Reclamat Sci, Anal & Testing Ctr, Shihezi 832000, Peoples R China
3.Xinjiang Acad Agr & Reclamat Sci, Key Labs Sheep Breeding & Reproduce, Wuyi Rd 221, Shihezi 832000, Peoples R China
关键词: Phthalate esters; Molecular simulation; Quantum chemical calculations; Dummy template; Molecularly imprinted polymers; Surface imprinting; Magnetic solid-phase extraction; Adsorbent; Food analysis; Gas chromatography-tandem mass spectrometry
期刊名称:MICROCHIMICA ACTA ( 影响因子:5.833; 五年影响因子:5.357 )
ISSN: 0026-3672
年卷期: 2018 年 185 卷 8 期
页码:
收录情况: SCI
摘要: Magnetic dummy molecularly imprinted polymers (MDMIPs) were prepared by combining the surface imprinting technique with computer simulation for selective recognition of phthalate esters (PAEs). A computational study based on the density functional theory was performed to evaluate the template-monomer geometry and interaction energy in the prepolymerization mixture. The MDMIPs were characterized by transmission electron microscopy, scanning electron microscopy, vibrating sample magnetometry, X-ray diffraction, and Fourier transform infrared spectroscopy. They exhibited (a) high saturation magnetization of 53.14 emu g(-1) (leading to fast separation), and (b) large adsorption capacity, fast binding kinetics, and high selectivity for PAEs. Subsequently, a molecularly imprinted solid-phase extraction procedure followed by GC-MS was established for selective extraction and determination of 10 PAEs in food samples. Under the optimal experimental conditions, the response (peak area) was linear in the 0.5-100 ng mL(-1) concentration range. The limits of detection ranged from 0.15 to 1.64 ng g(-1). The method was applied to the determination of PAEs in spiked real samples. The recoveries for 10 PAEs from various foods were in the range of 73.7%-98.1%, with relative standard deviations of 1.7%-10.2%.
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