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首页> 外文期刊>RSC Advances >QSAR aided design and development of biopolymer-based SPE phase for liquid chromatographic analysis of polycyclic aromatic hydrocarbons in environmental water samples
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QSAR aided design and development of biopolymer-based SPE phase for liquid chromatographic analysis of polycyclic aromatic hydrocarbons in environmental water samples

机译：Qsar辅助设计与开发基于生物聚合物的液体色谱分析环境水样中多环芳烃的液相色谱分析

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摘要

A solid-phase extraction (SPE), using starch based biopolymer adsorbent, coupled with high performance liquid chromatography-fluorescence/UV detectors (HPLC-FLD/UV) method was developed for the determination of 16 polycyclic aromatic hydrocarbons (PAHs) in environmental water samples. Quantitative structure activity relationship was employed for assessing the suitability of epichlorohydrin, 1,6-hexamethylene diisocyanate and 4,4-methylene diphenyl diisocyanate (MDI) based starch, beta- and gamma-cyclodextrin biopolymers as the SPE sorbent phases, via density functional theoretical (DFT) modeling studies. The DFT parameters showed that MDI based biopolymers exhibited the highest retention potential as the SPE sorbent. The modelled materials were synthesized, characterized and evaluated for the extraction of (PAHs). The results of the screening SPE studies were in agreement with DFT quantum predictions. MDI-starch biopolymer was therefore selected as the best SPE phase. The calibration curves of extracted PAHs were linear in the range of 0.5-50.0 mu g L-1, with r(2) values of > 0.99. The method attained good precisions values of 6.9-26.0 and 0.4-16.6% for UV and FLD detectors respectively; and the method detection limits values of 22.9-155.3 and 0.5-24.2 ng L-1 for UV and FLD detectors respectively. The optimized method was successfully applied for the determination of 16 PAHs in real environmental water samples, and mean recoveries were predominantly >80% for tap and river water samples in both UV and FLD analysis. The values of SPE performance indicators showed that the developed biopolymer phase is better than similar studies reported in literature, and equally comparable to commercially available C-18 SPE phases.
机译：使用淀粉基生物聚合物吸附剂的固相萃取（SPE）与高效液相色谱 - 荧光/紫外探测器（HPLC-FLD / UV）方法偶联，用于测定环境水中的16个多环芳烃（PAH）样品。使用定量结构活性关系来评估表氯醇，1,6-六亚甲基二异氰酸酯和4,4-亚甲基二苯基二异氰酸酯（MDI）的淀粉，β-和γ-环糊精生物聚合物作为SPE吸附剂阶段的适用性，通过密度函数理论（DFT）建模研究。 DFT参数表明，基于MDI的生物聚合物作为SPE吸附剂表现出最高的保留电位。合成模拟材料，其特征和评价（PAH）的提取。筛选SPE研究的结果与DFT量子预测一致。因此，选择MDI-淀粉生物聚合物作为最佳的SPE相。提取的PAHS的校准曲线在0.5-50.0μg1-1的范围内线性，R（2）值> 0.99。该方法分别达到了紫外线和FLD检测器的良好精度值6.9-26.0和0.4-16.6％;方法检测分别限制了UV和FLD检测器的22.9-155.3和0.5-24.2ng L-1的值。优化的方法已成功应用于真实环境水样中的16个PAHs，并且在UV和FLD分析中，主要是龙头和河水样品的平均回收率> 80％。 SPE性能指标的值表明，发育的生物聚合物相比在文献中报告的类似研究，同等地与市售的C-18 SPE相同。

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  • 来源
    《RSC Advances》 |2016年第75期|共16页
  • 作者

    Okoli Chukwunonso Peter; Adewuyi Gregory Olufemi; Zhang Qian; Guo Qingjun;

  • 作者单位

    Chinese Acad Sci Inst Geog Sci &

    Nat Resources Res Ctr Environm Remediat Beijing Peoples R China;

    Univ Ibadan Dept Chem Analyt Environm Chem Unit Ibadan Nigeria;

    Chinese Acad Sci Inst Geog Sci &

    Nat Resources Res Ctr Environm Remediat Beijing Peoples R China;

    Chinese Acad Sci Inst Geog Sci &

    Nat Resources Res Ctr Environm Remediat Beijing Peoples R China;

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  • 正文语种 eng
  • 中图分类 化学;
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