传输粉X射线衍射技术用于精确识别和定量药物多态体 - - 使用甲福林嵌合剂的案例研究
Sivanarayanan Palani1,2, Nagaraju Ilaveni1,2, Kalpana Devi Sanagari1
1Centre for X-ray Crystallography, Department of Analytical & Structural Chemistry, CSIR-Indian Institute of Chemical Technology, Tarnaka, Uppal Road, Hyderabad-500007, Telangana, India. jagadeesh81@gmail.com.
Analytical methods : advancing methods and applications
|November 3, 2025
概括
使用薄膜传输几何学的粉末X射线衍射 (PXRD) 与反射方法相比,为metformin embonate等活性药物成分提供了卓越的相位识别和量化. 这种方法提供了准确的结果,特别是在异质样本.
科学领域:
- 固态化学 固态化学
- 制药分析 制药分析
- 晶体学 晶体学是指结晶学.
背景情况:
- 活性药物成分 (API) 的多态性显著影响药物的有效性和安全性.
- 准确识别和量化多态形式对于制药开发和质量控制至关重要.
- 粉末X射线衍射 (PXRD) 是描述固态形式的主要技术.
研究的目的:
- 在PXRD中比较毛细血管传输,薄膜传输和布拉格-布伦塔诺反射几何学的有效性,用于相位识别和量化.
- 为了评估这些几何形状,使用metformin embonate (ME) 多态形式作为模型系统.
- 为了确定最佳的PXRD几何形状来准确分析API.
主要方法:
- 用三种几何形态对甲胺嵌合物 (ME) 形式I和II进行PXRD分析:毛细血管传输,薄膜传输和布拉格-布伦塔诺反射.
- 评估衍射模式质量,峰值对称性和分辨率.
- 瑞特维尔德精细化用于评估数据质量和对多态混合物的定量分析.
主要成果:
- 薄膜和毛细血管传输几何学产生了对称的,清晰的衍射峰值,优于反射几何学中的更广泛的合并峰值.
- 毛细管传输产生了最佳的配置 (最低的Rwp和GOF),其次是薄膜传输,然后是反射.
- 薄膜传输在ME多态混合物的定量分析中表现出极好的线性,优于反射几何学,特别是在具有首选方向的异质样本中.
结论:
- 薄膜传输几何学提供了一个平衡的方法,结合了传输和反射方法的优势,同时减轻了样本准备和首选方向等挑战.
- 这项研究确立了薄膜传输作为一种高效的方法,用于多态识别和量化API,在某些场景中超越传统的反射方法.
- 这些发现为优化制药行业的PXRD方法提供了宝贵的见解,以实现强大的多态分析.
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