State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Avenue, Wuxi, Jiangsu 214122, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2012 Oct;96:600-4. doi: 10.1016/j.saa.2012.06.055. Epub 2012 Jul 20.
Ponceau 4R is used as a coloring agent in many different products, such as food, drinks, medicines, cosmetics and tobacco. However, ponceau 4R also shows carcinogenic, teratogenic and mutagenic behavior in high doses. In this work, standard Raman, theoretical Raman and surface-enhanced Raman scattering (SERS) spectra have been used to investigate ponceau 4R. More specifically, density functional theory (DFT) calculations have been used to calculate the optimized Raman spectrum of ponceau 4R at the B3LYP/6-31G(d) level. This has provided a better understanding of the optimized geometry and vibrational frequencies of this dye. In addition, the experimental spectrum of ponceau 4R has been compared with the theoretical spectrum; good agreement was obtained. Finally, it has shown that using SERS the detection limit of the ponceau 4R solution can be as low as 5 μg/mL. This has been achieved by SERS measurements of ponceau 4R on a substrate of gold nanoparticles. The SERS peaks at 1030, 1236, 1356 and 1502 cm(-1) were chosen as index for semi-quantitative analysis, showing that the SERS technique provided a useful ultrasensitive method for the detection of ponceau 4R.
诱惑红 4R 被用作许多不同产品的着色剂，如食品、饮料、药品、化妆品和烟草。然而，诱惑红 4R 在高剂量下也表现出致癌、致畸和致突变的行为。在这项工作中，标准拉曼、理论拉曼和表面增强拉曼散射（SERS）光谱被用于研究诱惑红 4R。更具体地说，密度泛函理论（DFT）计算被用于在 B3LYP/6-31G(d)水平下计算诱惑红 4R 的优化拉曼光谱。这提供了对该染料优化几何形状和振动频率的更好理解。此外，诱惑红 4R 的实验光谱与理论光谱进行了比较；得到了很好的一致性。最后，结果表明，通过使用 SERS，可以将诱惑红 4R 溶液的检测限降低到 5μg/mL 以下。这是通过在金纳米粒子基底上对诱惑红 4R 进行 SERS 测量来实现的。选择 1030、1236、1356 和 1502cm(-1) 的 SERS 峰作为半定量分析的指标，表明 SERS 技术为诱惑红 4R 的检测提供了一种有用的超灵敏方法。
