Department of Analytical Chemistry, University of Valencia, Edificio Jerónimo Muñoz, 50th Dr. Moliner, 46100 Burjassot, Spain.
Talanta. 2011 Sep 30;85(4):1721-9. doi: 10.1016/j.talanta.2011.06.040. Epub 2011 Jul 6.
A green analytical method was developed for the analysis of sugar-based depilatories. Three independent partial least squares (PLS) regression models were built for the direct determination of glucose, fructose and maltose without any sample pretreatment based on their attenuated total reflectance - Fourier transform infrared (ATR-FTIR) spectra. The models showed adequate prediction capabilities with root-mean-square-errors of prediction ranging from 7.04 to 12.55 mg sugar g(-1) sample. As a reference procedure, gradient liquid chromatography with on-line infrared detection, employing background correction based on cubic smoothing splines, was used. The analysis revealed changes in the sugar concentration due to the formulation process as compared to information on the ingredients provided by the manufacturers. Although fructose, glucose and sucrose were declared to be used for the production of depilatories, in the final products only fructose, glucose and maltose were determined. This fact was attributed to pH and temperature conditions employed during the production process as well as to the use of glucose syrup instead of crystalline glucose. The present ATR-FTIR-PLS method enables an accurate, cheap and fast determination without solvent consumption or toxic waste generation and offers therefore a green screening alternative to methods employing chromatographic techniques.
建立了一种用于糖基脱毛剂分析的绿色分析方法。基于其衰减全反射-傅里叶变换红外(ATR-FTIR)光谱,无需任何样品预处理,就可直接测定葡萄糖、果糖和麦芽糖,建立了 3 个独立的偏最小二乘(PLS)回归模型。这些模型具有足够的预测能力,预测均方根误差范围为 7.04 至 12.55 mg 糖 g(-1) 样品。作为参考方法,采用在线红外检测的梯度液相色谱法,基于三次样条平滑进行背景校正。与制造商提供的成分信息相比,分析显示出由于配方过程导致的糖浓度变化。尽管脱毛剂的生产中宣称使用了果糖、葡萄糖和蔗糖,但在最终产品中仅测定出了果糖、葡萄糖和麦芽糖。这一事实归因于生产过程中使用的 pH 值和温度条件,以及使用葡萄糖浆代替结晶葡萄糖。本 ATR-FTIR-PLS 方法无需消耗溶剂或产生有毒废物,准确、廉价且快速,提供了一种绿色筛选替代方法,可替代使用色谱技术的方法。