A novel eco-friendly methods for simultaneous determination of aspirin, clopidogrel, and atorvastatin or rosuvastatin in their fixed-dose combination using chemometric techniques and artificial neural networks

IF 2.3 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2023-03-13 DOI:10.1002/cem.3474
Norhan S. AlSawy, Ehab F. ElKady, Eman A. Mostafa
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引用次数: 2

Abstract

In this study, the simultaneous determination of aspirin, clopidogrel, and either atorvastatin or rosuvastatin in their fixed-dose combination (FDC) formulations has been reported. As a straightforward substitute for employing distinct models for each component, UV spectrophotometry was applied with chemometric approaches and artificial neural networks to achieve this. Three chemometric techniques, including principal component regression (PCR), partial least-squares (PLS), and classical least-squares (CLS), were applied in addition to the radial basis function-artificial neural network (RBF-ANN). The validation of a set of laboratory-prepared combinations of aspirin, clopidogrel, and atorvastatin in one ternary mixture and aspirin, clopidogrel, and rosuvastatin in a second ternary mixture was assessed, and the results from the use of these approaches were recorded and compared. The absorbance data matrix matching the concentration data matrix in CLS, PCR, and PLS was created using measurements of absorbances in the range of 250–280 nm at intervals of 0.2 nm in their zero-order spectra. Then, in order to forecast the unknown concentrations, calibration or regression was created utilizing the concentration and absorbance data matrices. Using RBF-ANN for the simultaneous determination of aspirin, clopidogrel, and atorvastatin or rosuvastatin in their formulations was achieved by providing the input layer with 151 neurons; there are 2 hidden layers and 3 output neurons were obtained. The green profile of the developed methods has been assessed and compared with previously reported spectrophotometric methods. The suggested techniques were effectively applied to FDC dosage forms that contained the cited medications.

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利用化学计量学技术和人工神经网络同时测定阿司匹林、氯吡格雷和阿托伐他汀或瑞舒伐他汀固定剂量组合的新型生态友好方法
在这项研究中,同时测定阿司匹林、氯吡格雷和阿托伐他汀或瑞舒伐他汀的固定剂量组合(FDC)制剂。作为对每种成分采用不同模型的直接替代品,紫外分光光度法与化学计量方法和人工神经网络一起应用来实现这一目标。除了径向基函数-人工神经网络(RBF - ANN)之外,还应用了三种化学计量学技术,包括主成分回归(PCR)、偏最小二乘(PLS)和经典最小二乘(CLS)。对一组实验室制备的阿司匹林、氯吡格雷和阿托伐他汀三元混合物和阿司匹林、氯吡格雷和瑞舒伐他汀三元混合物的有效性进行了评估,并记录和比较了使用这些方法的结果。在250-280 nm的零阶光谱中,以0.2 nm的间隔测量吸光度,建立了与CLS、PCR和PLS中浓度数据矩阵相匹配的吸光度数据矩阵。然后,为了预测未知浓度,利用浓度和吸光度数据矩阵创建校准或回归。使用RBF - ANN同时测定阿司匹林,氯吡格雷,阿托伐他汀或瑞舒伐他汀的配方是通过提供151个神经元输入层实现的;有2个隐藏层和3个输出神经元。已经评估了所开发方法的绿色轮廓,并与以前报道的分光光度法进行了比较。建议的技术有效地应用于含有引用药物的FDC剂型。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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