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二阶优势在苋菜红、日落黄 FCF 和柠檬黄的测定中的应用——紫外可见分光光度法和多元曲线分辨-交替最小二乘法。

Second order advantage in the determination of amaranth, sunset yellow FCF and tartrazine by UV-vis and multivariate curve resolution-alternating least squares.

机构信息

FIA Laboratory, Department of Chemistry, Universidad Nacional del Sur, INQUISUR (UNS-CONICET), Av. Alem 1253, (B8000CPB), Bahía Blanca, Buenos Aires, Argentina.

出版信息

Anal Chim Acta. 2009 Nov 23;655(1-2):38-42. doi: 10.1016/j.aca.2009.10.001. Epub 2009 Oct 6.

DOI:10.1016/j.aca.2009.10.001
PMID:19925913
Abstract

A direct spectrophotometric method for the determination of three artificial colors--amaranth, sunset yellow FCF and tartrazine--in beverages samples is proposed. The spectra were recorded between 359 and 600 nm. The spectra of the samples (just filtrated), pure dyes (concentrations ranged between 0.01 and 1.8 mg L(-1) for amaranth, 0.08 and 4.4 mg L(-1) for sunset yellow and 0.04 and 1.8 mg L(-1) for tartrazine) and synthetic mixtures were disposed in a column-wise augmented data matrix. This kind of data structure, analyzed by multivariate curve resolution-alternating least squares (MCR-ALS) makes it possible to exploit the so called 'second order advantage'. MCR-ALS algorithm was applied to the experimental data under the non-negativity and equality constraints. As a result, the concentration of each dye in the samples and their corresponding pure spectra were obtained. The results were validated using internal reference materials and no significant differences were found (alpha=5%) between the reference values and the ones obtained with the proposed method. The second order advantage made it possible to obtain unbiased results even in the presence of interferences.

摘要

提出了一种直接分光光度法测定饮料样品中三种人工色素——苋菜红、日落黄 FCF 和柠檬黄的方法。光谱在 359nm 至 600nm 之间记录。对样品(仅过滤)、纯染料(苋菜红的浓度范围在 0.01 至 1.8mg/L 之间,日落黄的浓度范围在 0.08 至 4.4mg/L 之间,柠檬黄的浓度范围在 0.04 至 1.8mg/L 之间)和合成混合物的光谱以列增广数据矩阵的形式处理。这种数据结构,通过多变量曲线分辨交替最小二乘法(MCR-ALS)进行分析,可以利用所谓的“二阶优势”。在非负和等式约束下,将 MCR-ALS 算法应用于实验数据。结果得到了样品中每种染料的浓度及其相应的纯光谱。使用内部参考材料验证了结果,没有发现(α=5%)参考值和用提出的方法获得的值之间存在显著差异。二阶优势使得即使存在干扰也能获得无偏的结果。

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