Naguib Ibrahim A, Abdelaleem Eglal A, Zaazaa Hala E, Hussein Essraa A
Beni-Suef University, Faculty of Pharmacy, Pharmaceutical Analytical Chemistry Department, Alshaheed Shehata Ahmad Hegazy St, Beni-Suef 62514, Egypt.
Cairo University, Faculty of Pharmacy, Analytical Chemistry Department, Kasr El-Aini, Cairo 11562, Egypt.
J AOAC Int. 2016 Jul;99(4):972-979. doi: 10.5740/jaoacint.16-0033. Epub 2016 Jun 15.
Two multivariate chemometric models, namely, partial least-squares regression (PLSR) and linear support vector regression (SVR), are presented for the analysis of amoxicillin trihydrate and dicloxacillin sodium in the presence of their common impurity (6-aminopenicillanic acid) in raw materials and in pharmaceutical dosage form via handling UV spectral data and making a modest comparison between the two models, highlighting the advantages and limitations of each. For optimum analysis, a three-factor, four-level experimental design was established, resulting in a training set of 16 mixtures containing different ratios of interfering species. To validate the prediction ability of the suggested models, an independent test set consisting of eight mixtures was used. The presented results show the ability of the two proposed models to determine the two drugs simultaneously in the presence of small levels of the common impurity with high accuracy and selectivity. The analysis results of the dosage form were statistically compared to a reported HPLC method, with no significant difference regarding accuracy and precision, indicating the ability of the suggested multivariate calibration models to be reliable and suitable for routine analysis of the drug product. Compared to the PLSR model, the SVR model gives more accurate results with a lower prediction error, as well as high generalization ability; however, the PLSR model is easy to handle and fast to optimize.
提出了两种多元化学计量学模型,即偏最小二乘回归(PLSR)和线性支持向量回归(SVR),用于分析原料和药物剂型中阿莫西林三水合物和双氯西林钠及其共同杂质(6-氨基青霉烷酸),通过处理紫外光谱数据并对这两种模型进行适度比较,突出每种模型的优缺点。为了进行最佳分析,建立了一个三因素、四水平的实验设计,得到了一个包含不同比例干扰物质的16种混合物的训练集。为了验证所提出模型的预测能力,使用了一个由8种混合物组成的独立测试集。给出的结果表明,所提出的两种模型能够在存在少量共同杂质的情况下,同时高精度和高选择性地测定这两种药物。将剂型的分析结果与报道的高效液相色谱法进行了统计学比较,在准确度和精密度方面没有显著差异,表明所提出的多元校准模型可靠且适用于药物产品的常规分析。与PLSR模型相比,SVR模型给出的结果更准确,预测误差更低,并且具有较高的泛化能力;然而,PLSR模型易于处理且优化速度快。