采用表面增强拉曼光谱技术（Surface-Enhanced Raman Spectroscopy，SERS）与密度泛函理论（DFT）相结合，建立鲜茶叶中噻菌灵农药残留的快速检测方法。使用四氧化三铁纳米粒子和石墨化碳去除茶叶中叶绿素等荧光物质的干扰。对比银纳米溶胶和金纳米溶胶对噻菌灵标准溶液的增强效果，结果表明银纳米溶胶增强效果更好。通过对噻菌灵分子的谱峰归属，结合密度泛函理论计算结果，得出782、1007和1576 cm-1处的拉曼峰可作为噻菌灵农药残留判别的特征峰。采用表面增强拉曼光谱方法对茶叶中噻菌灵农药残留的最低检测浓度为0.5 mg/L，在浓度范围0.5~20 mg/L内，782 cm-1处的峰强度与噻菌灵的浓度具有良好的线性关系，方法的回收率为87.33~93.04%，相对标准偏差RSD在3.28~5.64%之间，说明该方法具有较高的准确度和精密度。

Surface-enhanced Raman spectroscopy (SERS) along with density functional theory (DFT) was used to develop a rapid detection method for thiabendazole residues in fresh tea leaves. Fe3O4 nanoparticles and graphitic carbon were used to eliminate the interference from fluorescent materials in fresh tea leaves, such as chlorophyll and theanine. The SERS enhancement effects of silver colloids and gold colloids for thiabendazole standard solutions were compared; the results showed that silver colloids produced better effects. By attributing and analyzing the Raman spectra of a thiabendazole molecule combined with the results of density functional theory, Raman peaks were obtained at 782, 1007, and 1576 cm-1, which could be the characteristic peaks of thiabendazole molecules. The minimum detection concentration of thiabendazole in fresh tea leaves was obtained as 1 mg/L by using the SERS method. The standard curve was plotted with the peak intensity at 782 cm-1. A good linear relationship was found between the peak intensity at 782 cm-1 and the concentration of thiabendazole within the range 0.5–20 mg/L. The recovery rate of SERS was 87.33%~93.04% and the relative standard deviation (RSD) was between 3.28 and 5.64, indicating that this method is highly accurate and reliable.

赣鄱英才555工程人选计划；江西省自然基金项目（20122BAB204020）；江西省科技攻关项目（20112BDH80010）；江西省教育厅科技项目（GJJ13272）；国家自然科学基金项目（31271612）；江苏省农产品物理加工重点实验室开放项目（JAPP2012-3）资助