Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, Via P. Bucci, Rende, CS 87036, Italy.
Department of Pharmacy, Health and Nutritional Sciences, University of Calabria, Via P. Bucci, Rende, CS 87036, Italy.
Anal Chim Acta. 2014 Jul 21;837:31-7. doi: 10.1016/j.aca.2014.05.056. Epub 2014 Jun 5.
An advanced and powerful chemometric approach is proposed for the analysis of incomplete multiset data obtained by fusion of hyphenated liquid chromatographic DAD/MS data with UV spectrophotometric data from acid-base titration and kinetic degradation experiments. Column- and row-wise augmented data blocks were combined and simultaneously processed by means of a new version of the multivariate curve resolution-alternating least squares (MCR-ALS) technique, including the simultaneous analysis of incomplete multiset data from different instrumental techniques. The proposed procedure was applied to the detailed study of the kinetic photodegradation process of the amiloride (AML) drug. All chemical species involved in the degradation and equilibrium reactions were resolved and the pH dependent kinetic pathway described.
提出了一种先进而强大的化学计量学方法，用于分析通过融合带通式液相色谱 DAD/MS 数据与酸碱滴定和动力学降解实验的紫外分光光度数据获得的不完全多元数据集。列和行增强的数据块被组合并通过多变量曲线分辨率交替最小二乘法 (MCR-ALS) 技术的新版本同时处理，包括来自不同仪器技术的不完全多元数据集的同时分析。所提出的程序被应用于阿米洛利 (AML) 药物的动力学光降解过程的详细研究。解析了降解和平衡反应中涉及的所有化学物质，并描述了 pH 依赖性动力学途径。
