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偏最小二乘法在超高效液相色谱数据集上的新应用,用于三组分药物混合物的定量解析。

A New Application of PARAFAC Model to UPLC Dataset for the Quantitative Resolution of a Tri-Component Drug Mixture.

机构信息

Department of Science, Dicle University, Sur, Diyarbakır 21280, Turkey.

Department of Analytical Chemistry, Ankara University, Degol St. No:4, Ankara 06560, Turkey.

出版信息

J Chromatogr Sci. 2021 Mar 19;59(4):361-370. doi: 10.1093/chromsci/bmaa119.

DOI:10.1093/chromsci/bmaa119
PMID:33454729
Abstract

In the presented work, a three-way analysis of ultra-performance liquid chromatography-photodiode array (UPLC-PDA) dataset was performed by parallel factor analysis (PARAFAC) for quantitatively resolving a ternary mixture containing paracetamol and methocarbamol with indapamide selected as an internal standard in their co-eluted chromatographic conditions. Paracetamol and methocarbamol were quantified in the working range between 3-24 and 5-50 μg/mL by applying PARAFAC decomposition to UPLC-PDA data array obtained under unresolved chromatographic peak conditions. To compare the experimental results provided by co-eluted UPLC-PARAFAC method, an ordinary UPLC method was developed ensuring proper separation of the peaks. The performance of both PARAFAC and ordinary UPLC methods were assessed by quantifying independent test samples, intra- and inter-day samples and spiked samples of pharmaceutical preparations. Then, both methods were applied for quantitative estimation of the related drugs in a commercial pharmaceutical preparation. In this study, PARAFAC method was proved to be a very powerful alternative for the quality control of pharmaceutical preparations containing paracetamol and methocarbamol even in their co-eluted chromatograms with high precision and accuracy in a short chromatographic runtime of 1.2 min.

摘要

在本工作中,通过平行因子分析(PARAFAC)对包含对乙酰氨基酚和甲氨蝶呤的三元混合物的超高效液相色谱-光电二极管阵列(UPLC-PDA)数据集进行了三路分析,其中选择吲达帕胺作为内标在共洗脱色谱条件下。在未解析的色谱峰条件下获得 UPLC-PDA 数据阵列后,通过 PARAFAC 分解,在 3-24 和 5-50μg/mL 的工作范围内对乙酰氨基酚和甲氨蝶呤进行定量。为了比较共洗脱 UPLC-PARAFAC 方法提供的实验结果,开发了一种普通的 UPLC 方法,以确保峰的适当分离。通过对独立测试样品、日内和日间样品以及药物制剂的加标样品进行定量评估,评估了 PARAFAC 和普通 UPLC 方法的性能。然后,将这两种方法应用于商业药物制剂中相关药物的定量估算。在这项研究中,PARAFAC 方法被证明是一种非常强大的替代方法,即使在高共洗脱色谱图中,也可用于含有对乙酰氨基酚和甲氨蝶呤的药物制剂的质量控制,具有高精度和准确性,且色谱运行时间短至 1.2 分钟。

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