Partial Least Squares Method for the Multicomponent Analysis of Antibacterial Mixture

IF 0.7 Q4 CHEMISTRY, ANALYTICAL Methods and Objects of Chemical Analysis Pub Date : 2023-01-01 DOI:10.17721/moca.2023.92-100
Farah Nouri, Nahla A. Alassaf
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Abstract

This study's objective is to assess how well UV spectrophotometry can be used in conjunction with multivariate calibration based on partial least squares (PLS) regression for concurrent quantitative analysis of antibacterial mixture (Levofloxacin (LIV), Metronidazole (MET), Rifampicin (RIF) and Sulfamethoxazole (SUL)) in their artificial mixtures and pharmaceutical formulations. The experimental calibration and validation matrixes were created using 42 and 39 samples, respectively. The concentration range taken into account was 0-17 μg/mL for all components. The calibration standards' absorbance measurements were made between 210 and 350 nm, with intervals of 0.2 nm. The associated parameters were examined in order to develop the optimal calibration model. The cross-validation method was used to determine the ideal number of components. The coefficient of determination (R2) and the root mean square error of calibration (RMSEC) are used to evaluate the calibration model. The relation between the LEV, MET, RIF, and SUL actual values and predicted values had a coefficient of determination that was higher than 0.997, showing very good accuracy of the devised approach. The obtained RMSEC values, 0.181056465 (LEV), 0.180375418 (MET), 0.142767171 (RIF), and 0.17157454 (SUL), show an analytical procedure with adequate precision. The suggested technique for quantitative analysis of the quaternary mixture of LEV, MET, RIF, and SUL have been applied successfully in different pharmaceutical preparations. The UV spectrophotometry assisted with chemometric-PLS without prior treatment, be utilised to resolve multicomponent mixtures successfully.
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抗菌合剂多组分分析的偏最小二乘法
本研究的目的是评估紫外分光光度法与基于偏最小二乘(PLS)回归的多变量校准相结合,在抗菌药物混合制剂(左氧氟沙星(LIV)、甲硝唑(MET)、利福平(RIF)和磺胺甲恶唑(SUL))的人工混合物和药物制剂中同时定量分析的效果。分别用42个和39个样品建立了实验校准矩阵和验证矩阵。所考虑的浓度范围为0 ~ 17 μg/mL。校准标准品的吸光度测量在210 ~ 350 nm之间,间隔为0.2 nm。为了建立最优的标定模型,对相关参数进行了检验。采用交叉验证法确定理想组分数。采用决定系数(R2)和标定均方根误差(RMSEC)对标定模型进行评价。LEV、MET、RIF、SUL的实际值与预测值之间的决定系数均大于0.997,表明所设计的方法具有很好的准确性。获得的RMSEC值为0.181056465 (LEV), 0.180375418 (MET), 0.142767171 (RIF)和0.17157454 (SUL),显示了具有足够精度的分析过程。该方法已成功地应用于不同药物制剂的四元化合物中,包括LEV、MET、RIF和SUL。紫外分光光度法辅助化学计量- pls无需事先处理,成功地解决了多组分混合物。
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来源期刊
CiteScore
1.00
自引率
14.30%
发文量
12
期刊介绍: The journal "Methods and objects of chemical analysis" is peer-review journal and publishes original articles of theoretical and experimental analysis on topical issues and bio-analytical chemistry, chemical and pharmaceutical analysis, as well as chemical metrology. Submitted works shall cover the results of completed studies and shall make scientific contributions to the relevant area of expertise. The journal publishes review articles, research articles and articles related to latest developments of analytical instrumentations.
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