Matero Sanni, Pajander Jari, Soikkeli Anne-Marie, Reinikainen Satu-Pia, Lahtela-Kakkonen Maija, Korhonen Ossi, Ketolainen Jarkko, Poso Antti
Department of Pharmaceutical Chemistry, University of Kuopio, P.O. Box 1627, FIN-70211 Kuopio, Finland.
Anal Chim Acta. 2007 Jul 9;595(1-2):190-7. doi: 10.1016/j.aca.2007.02.008. Epub 2007 Feb 12.
The amounts of drug and excipient were predicted from ATR-FTIR spectra using two multi-way modelling techniques, parallel factor analysis (PARAFAC) and multi-linear partial least squares (N-PLS). Data matrices consisted of dissolved and undissolved parallel samples having different drug content and spectra, which were collected at axially cut surface of the flat-faced matrix tablets. Spectra were recorded comprehensively at different points on the axially cut surface of the tablet. The sample drug concentrations varied between 2 and 16% v/v. The multi-way methods together with ATR-FTIR spectra seemed to represent an applicable method for the determination of drug and excipient distribution in a tablet during the release process. The N-PLS calibration method was more robust for accurate quantification of the amount of components in the sample whereas the PARAFAC model provided approximate relative amounts of components.
使用两种多元建模技术，即平行因子分析（PARAFAC）和多元线性偏最小二乘法（N-PLS），从衰减全反射傅里叶变换红外光谱（ATR-FTIR）中预测药物和辅料的含量。数据矩阵由具有不同药物含量和光谱的溶解和未溶解平行样品组成，这些样品是在平面基质片剂的轴向切割表面上采集的。在片剂轴向切割表面的不同点全面记录光谱。样品药物浓度在2%至16% v/v之间变化。多元方法与ATR-FTIR光谱一起似乎代表了一种适用于测定片剂在释放过程中药物和辅料分布的方法。N-PLS校准方法对于准确定量样品中成分的含量更为稳健，而PARAFAC模型提供了成分的近似相对含量。
