Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia.
Faculty of Physical Chemistry, University of Belgrade, Studentski Trg 12-15, 11000 Belgrade, Serbia.
Molecules. 2022 Jul 29;27(15):4853. doi: 10.3390/molecules27154853.
Indigo carmine is a commonly used industrial blue dye. To determine its concentration in a commercially available food dye composed of a mixture of indigo carmine and D-glucose, this paper characterizes it through (ATR, KBr) FTIR micro-Raman as well as UV/Vis and clock: Briggs-Rauscher (BR) oscillatory reaction methods. The indigo carmine was detected in the bulk food dye only by applying micro-Raman spectroscopy, indicating a low percentage of the indigo carmine present. This research provides an improvement in the deviations from the experimental Raman spectrum as calculated by the B97D/cc-pVTZ level of theory one, resulting in a better geometrical optimization of the indigo carmine molecule compared to data within the literature. The analytical curves used to determine indigo carmine concentrations (and quantities) in an aqueous solution of food dye were applied by means of UV/Vis and BR methods. BR yielded significantly better analytical parameters: 100 times lower LOD and LOQ compared to commonly used UV/Vis. The remarkable sensitivity of the BR reaction towards indigo carmine suggests that not only does indigo carmine react in an oscillatory reaction but also its decomposition products, meaning that the multiple oxidation reactions have an important role in the BR's indigo carmine mechanism. The novelty of this research is the investigation of indigo carmine using a clock BR reaction, opening new possibilities to determine indigo carmine in other complex samples (pharmaceutical, food, etc.).
靛蓝胭脂红是一种常用的工业蓝色染料。为了确定市售食品染料（由靛蓝胭脂红和 D-葡萄糖混合物组成）中靛蓝胭脂红的浓度，本文通过（ATR，KBr）FTIR 微拉曼以及 UV/Vis 和钟：Briggs-Rauscher（BR）振荡反应方法对其进行了表征。仅通过应用微拉曼光谱就可以在散装食品染料中检测到靛蓝胭脂红，表明存在的靛蓝胭脂红的百分比很低。这项研究改进了实验拉曼光谱与 B97D/cc-pVTZ 理论水平计算出的光谱之间的偏差，与文献中的数据相比，对靛蓝胭脂红分子的几何优化更好。通过 UV/Vis 和 BR 方法，使用用于确定食品染料水溶液中靛蓝胭脂红浓度（和数量）的分析曲线。BR 产生了明显更好的分析参数：与常用的 UV/Vis 相比，LOD 和 LOQ 低 100 倍。BR 反应对靛蓝胭脂红的显著灵敏度表明，不仅靛蓝胭脂红在振荡反应中反应，而且其分解产物也反应，这意味着多重氧化反应在 BR 的靛蓝胭脂红机制中起着重要作用。这项研究的新颖之处在于使用钟 BR 反应研究靛蓝胭脂红，为在其他复杂样品（药物，食品等）中确定靛蓝胭脂红开辟了新的可能性。
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