在定量传输拉曼光谱学中近红外吸收的影响和缓解
Alexander Ryckaert1, Marco P Corujo2, Darren Andrews2
1Laboratory of Pharmaceutical Process Analytical Technology, Department of Pharmaceutical Analysis, Ghent University, Ottergemsesteenweg 460, Ghent 9000, Belgium.
Journal of pharmaceutical and biomedical analysis
|July 2, 2025
概括
传输拉曼光谱 (TRS) 对于制药统一性分析至关重要. 这项研究展示了一种光谱标准化技术,以纠正物理化学压力因素,提高定量模型的准确性并减少预测错误.
科学领域:
- 分析化学 分析化学
- 制药科学 制药科学
- 频谱学是一种光谱学.
背景情况:
- 传输拉曼光谱 (TRS) 用于制药含量统一性分析.
- 物理化学压力因素,如压缩力和厚度变化,可以扭曲光谱谱.
- 这些扭曲引入了定量模型中的系统错误.
研究的目的:
- 研究厚度,孔隙性和压缩力变化对定量模型预测的影响.
- 提出一种光谱标准化技术,以减轻这些影响.
主要方法:
- 利用传输拉曼光谱技术进行样本分析.
- 样品厚度,孔隙度和压缩力各不相同.
- 开发并应用了一种光谱标准化技术.
- 使用RMSE和偏差等统计指标评估模型性能.
主要成果:
- 观察到量化模型性能的显著改善.
- 整体模型的根平均平方误差 (RMSE) 从2.5%降至2.0%.
- 几乎消除了与压缩力变化相关的偏差 (从8.40%到~0%).
- 显著减少残留物 (RMSE从8.63%降至2.06%).
结论:
- 频谱标准化有效地纠正了TRS.分析的制药样本中的物理化学压力因素.
- 拟议的技术提高了定量模型的预测能力和可靠性.
- 这种方法提高了活性药物成分和辅助剂量化的准确性.
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