College of Environmental Science and Engineering, North China Electric Power University, Beijing, 102206, China.
The Moe Key Laboratory of Resources and Environmental Systems Optimization, North China Electric Power University, Beijing, 102206, China.
Environ Sci Pollut Res Int. 2018 Dec;25(34):34684-34692. doi: 10.1007/s11356-018-3432-x. Epub 2018 Oct 15.
A highly sensitive method for the detection of phthalate acid ester (PAE) derivatives by fluorescence spectroscopy based on a double-substitution modification is reported. The fluorescence intensities of 18 PAE derivatives and the template PAEs after docking with the protein bovine serum albumin (BSA) are compared; the fluorescence intensities of the PAE derivatives increase significantly (28.20 to 110.00 times) with high sensitivities, but the functionalities (stability and insulation) are not affected. The persistence, mobility, and toxicity of the PAE derivatives are reduced by varying degrees, and their amounts of bioaccumulation are not significantly changed, indicating that the derivatives are more environmentally friendly. Within the wavelength range 240-420 nm in the fluorescence spectrum, there is no interference between the PAE derivatives and polycyclic aromatic hydrocarbons (PAHs), and the derivatives can be detected with good precision. Based on the analysis of fluorescence characteristics using a 2D quantitative structure-activity relationship (QSAR) model, the occupied orbital energies and Mulliken charge numbers are the main factors that influence the spectral characteristics of the PAE derivatives.
本文报道了一种基于双重取代修饰的荧光光谱法检测邻苯二甲酸酯（PAE）衍生物的高灵敏度方法。比较了 18 种 PAE 衍生物和与蛋白质牛血清白蛋白（BSA）对接后的模板 PAEs 的荧光强度；PAE 衍生物的荧光强度显著增加（28.20 至 110.00 倍），具有很高的灵敏度，但功能（稳定性和绝缘性）不受影响。PAE 衍生物的持久性、迁移性和毒性都在不同程度上降低，其生物累积量没有显著变化，表明这些衍生物更环保。在荧光光谱的 240-420nm 波长范围内，PAE 衍生物与多环芳烃（PAHs）之间没有干扰，可以很好地检测到衍生物。基于二维定量构效关系（QSAR）模型分析荧光特性，占据轨道能量和 Mulliken 电荷数是影响 PAE 衍生物光谱特征的主要因素。
