Khoshayand M R, Abdollahi H, Shariatpanahi M, Saadatfard A, Mohammadi A
Department of Food and Drug Control, School of Pharmacy, Medical Sciences/University of Tehran, Tehran, Iran.
Spectrochim Acta A Mol Biomol Spectrosc. 2008 Aug;70(3):491-9. doi: 10.1016/j.saa.2007.07.033. Epub 2007 Jul 31.
In this study, the simultaneous determination of paracetamol, ibuprofen and caffeine in pharmaceuticals by chemometric approaches using UV spectrophotometry has been reported as a simple alternative to using separate models for each component. Spectra of paracetamol, ibuprofen and caffeine were recorded at several concentrations within their linear ranges and were used to compute the calibration mixture between wavelengths 200 and 400 nm at an interval of 1 nm in methanol:0.1 HCl (3:1). Partial least squares regression (PLS), genetic algorithm coupled with PLS (GA-PLS), and principal component-artificial neural network (PC-ANN) were used for chemometric analysis of data and the parameters of the chemometric procedures were optimized. The analytical performances of these chemometric methods were characterized by relative prediction errors and recoveries (%) and were compared with each other. The GA-PLS shows superiority over other applied multivariate methods due to the wavelength selection in PLS calibration using a genetic algorithm without loss of prediction capacity. Although the components show an important degree of spectral overlap, they have been determined simultaneously and rapidly requiring no separation step. These three methods were successfully applied to pharmaceutical formulation, capsule, with no interference from excipients as indicated by the recovery study results. The proposed methods are simple and rapid and can be easily used in the quality control of drugs as alternative analysis tools.
在本研究中，已报道了采用紫外分光光度法通过化学计量学方法同时测定药物中对乙酰氨基酚、布洛芬和咖啡因的含量，这是一种比为每种成分使用单独模型更简单的替代方法。在对乙酰氨基酚、布洛芬和咖啡因的线性范围内的几种浓度下记录其光谱，并用于计算在甲醇:0.1盐酸（3:1）中波长200至400nm之间以1nm间隔的校准混合物。偏最小二乘回归（PLS）、遗传算法结合PLS（GA-PLS）和主成分-人工神经网络（PC-ANN）用于数据的化学计量学分析，并对化学计量学程序的参数进行了优化。这些化学计量学方法的分析性能通过相对预测误差和回收率（%）来表征，并相互进行了比较。由于在PLS校准中使用遗传算法进行波长选择且不损失预测能力，GA-PLS显示出优于其他应用的多元方法。尽管各成分显示出重要程度的光谱重叠，但它们已被同时快速测定，无需分离步骤。如回收率研究结果所示，这三种方法已成功应用于药物制剂胶囊，且不受辅料干扰。所提出的方法简单快速，可作为替代分析工具轻松用于药物质量控制。
