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五元疗法靶向治疗多种心血管疾病的分析:应用紫外分光光度法和化学计量学工具。

Analysis of quinary therapy targeting multiple cardiovascular diseases using UV spectrophotometry and chemometric tools.

机构信息

Analytical Chemistry Department, Faculty of Pharmacy, Egyptian Russian University, Cairo 11829, Egypt.

Analytical Chemistry Department, Faculty of Pharmacy, Egyptian Russian University, Cairo 11829, Egypt; Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Al-Azhar University, Cairo 11751, Egypt.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Sep 5;238:118415. doi: 10.1016/j.saa.2020.118415. Epub 2020 Apr 26.

DOI:10.1016/j.saa.2020.118415
PMID:32403073
Abstract

Herein, UV spectrophotometry assisted by multivariate chemometric analysis have been presented for quantitative determination of complex quinary therapy containing atenolol, ramipril, hydrochlorothiazide, simvastatin and aspirin without any prior separation. Such combination is very useful for treating various cardiovascular diseases (CVD) including high blood pressure, hypercholesterolemia in addition to its antiplatelet aggregating activity. Calibration (15 samples) and validation (10 samples) sets were prepared of different concentrations for these drugs via implementing partial factorial experimental design. The zero order UV spectra of these sets were recorded and then subjected for further chemometric analysis. Partial least square (PLS) with/without variable selection procedure i.e. genetic algorithm (GA) were employed to untangle the UV spectral overlapping of these mixtures. The performance of these chemometric techniques were compared in terms of accuracy and predictive abilities using cross-validation and external validation methods. It was found that PLS provides good recoveries with prompt predictive ability albeit GA-PLS exhibited better analytical performance owing to its capability to remove redundant variables i.e. the number of absorbance variables had been reduced to about 19-28%. The developed methods allowed reliable determination of such complex therapy in its laboratory prepared mixtures and pharmaceutical preparation within comparable results to those reported by HPLC method, posing these chemometric methods as valuable and indispensable analytical tools in in-process testing and quality control analysis of many pharmaceutical compounds targeting CVD.

摘要

本文提出了一种利用多元化学计量分析辅助紫外分光光度法,无需任何预先分离,即可定量测定含有阿替洛尔、雷米普利、氢氯噻嗪、辛伐他汀和阿司匹林的五元复方药物。这种组合对于治疗各种心血管疾病(CVD)非常有用,包括高血压、高胆固醇血症以及其抗血小板聚集活性。通过实施部分因子实验设计,为这些药物制备了不同浓度的校准(15 个样本)和验证(10 个样本)集。记录这些集的零阶紫外光谱,然后进行进一步的化学计量分析。采用偏最小二乘(PLS)和/或变量选择程序(即遗传算法(GA))来解开这些混合物的紫外光谱重叠。使用交叉验证和外部验证方法比较了这些化学计量技术的性能,以评估准确性和预测能力。结果表明,PLS 提供了良好的回收率和快速的预测能力,尽管 GA-PLS 由于其能够去除冗余变量(即吸光度变量的数量已减少到约 19-28%),因此具有更好的分析性能。所开发的方法允许在实验室制备的混合物和药物制剂中可靠地测定这种复杂的治疗方法,其结果与 HPLC 方法报告的结果相当,这些化学计量方法为针对 CVD 的许多药物化合物的过程测试和质量控制分析提供了有价值的、不可或缺的分析工具。

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