智能化学测量模型的应用用于光谱分辨率和测定具有挑战性的多动态四元混合物:与绿度评估进行统计比较
Aya A Mouhamed1, Ahmed H Nadim2, Nadia M Mostafa1
1Department of Pharmaceutical Analytical Chemistry, Faculty of Pharmacy, Cairo University, Cairo, 11562, Egypt.
BMC chemistry
|March 2, 2024
概括
四种绿色多变量光谱光度模型 (PCR,PLS,MCR-ALS,ANN) 在没有事先分离的情况下有效分析了制药配方. 这些方法提供准确和精确的分析,与官方技术相比,促进更绿色的分析化学.
科学领域:
- 分析化学 分析化学
- 化学测量 化学测量 化学测量
- 药品分析 药品分析
背景情况:
- 多变频光度测量为分析复杂混合物提供了染色学替代方案.
- 开发高效,绿色的分析方法对于制药质量控制至关重要.
研究的目的:
- 开发和验证四种绿色多变量光谱模型,用于分析重叠的光谱.
- 为了比较主成分回归 (PCR),部分最小平方 (PLS),多变量曲线分辨率-交替最小平方 (MCR-ALS) 和人工神经网络 (ANN) 模型的性能.
- 评估制药配方开发模型的绿色性和适用性.
主要方法:
- 开发和验证四种化学测量模型:PCR,PLS,MCR-ALS和ANN.
- 对偏醇 (PARA),氨酸酸 (CPM),咖啡因 (CAF) 和酸 (ASC) 的高度重叠的光谱进行分析.
- 模型应用于药物配方 (Grippostad® C囊) 和使用恢复百分比和RMSEP的评估.
- 使用分析绿色度指标方法 (AGREE) 和生态尺度对模型绿色度的评估.
主要成果:
- 所有四个提出的模型都成功地解决了重叠的光谱,而不需要初步分离.
- 这些模型显示出高准确度和精度,性能与官方分析方法相美.
- 绿色评估表明环境影响有利,AGREE分数为0.77和生态尺度值为85.
结论:
- 开发的绿色多变量光谱光度模型是有效的,准确的,准确的分析药物配方.
- 这些模型在常规药物分析中提供了传统色谱方法的可行和更绿色的替代方案.
- 该研究强调了这些先进的化学测量技术在产品测试实验室的标准质量控制中的潜力.
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