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利用绿色光谱法结合多元校准模型同时分析复方口服降糖药中的三元药物混合物。

The use of green spectroscopy with multivariate calibration models for simultaneous analysis of ternary drug mixture in combined oral antidiabetic pill.

作者信息

Belal Fathalla, El-Shabrawy Yasser, Barseem Aya, Ahmed Hytham

机构信息

Department of Pharmaceutical Analytical Chemistry, Faculty of Pharmacy, Mansoura University, Egypt.

Pharmaceutical Analysis Department, Faculty of Pharmacy, Menoufia University, Egypt.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Nov 5;241:118638. doi: 10.1016/j.saa.2020.118638. Epub 2020 Jun 23.

Abstract

In this work, different chemometric calibration models were developed and validated for the purpose of determining of ternary mixture of oral antidiabetic drugs; vildagliptin (VDG), saxagliptin (SAX) and sitagliptin phosphate (STG). The used models were Partial least squares (PLS) and Artificial Neural Networks (ANN). However, on these various models the impact of genetic algorithm (GA) as a form of variable selection was also investigated. The UV spectral data was used as basis in the quantitative study of the drugs analyzed in bulk and product formulations. The concentration range of the calibration curves of VDG, SAX and STG were 10-22 μg mL, 24-40 μg mL and 82-130 μg mL, respectively. The calibration set included nineteen mixtures and the others six were used as a validation set to test the predictability of the developed multivariate models. The validation parameters of the evaluated methods were statistically determined. For the analysis of drugs studied in laboratory-prepared mixtures and their dosage forms, PLS-1, GA-PLS-1, ANN, and GA-ENN were successfully employed. The results obtained by the developed methods were compared to those given by a reported method and there were no statistically significant differences regarding accuracy and precision.

摘要

在本研究中,为测定口服抗糖尿病药物维格列汀(VDG)、沙格列汀(SAX)和磷酸西格列汀(STG)的三元混合物,开发并验证了不同的化学计量校准模型。所使用的模型为偏最小二乘法(PLS)和人工神经网络(ANN)。然而,在这些不同模型上,还研究了作为变量选择形式的遗传算法(GA)的影响。紫外光谱数据被用作散装和制剂中所分析药物定量研究的基础。VDG、SAX和STG校准曲线的浓度范围分别为10 - 22μg/mL、24 - 40μg/mL和82 - 130μg/mL。校准集包括19种混合物,另外6种用作验证集以测试所开发多元模型的可预测性。对评估方法的验证参数进行了统计学测定。对于实验室制备的混合物及其剂型中所研究药物的分析,成功采用了PLS - 1、GA - PLS - 1、ANN和GA - ENN。将所开发方法获得的结果与报道方法给出的结果进行比较,在准确性和精密度方面没有统计学显著差异。

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