Institute of Environmental Assessment and Water Research (IDAEA), Spanish Council for Scientific Research (CSIC), Jordi Girona 18-26, 08034 Barcelona, Catalunya, Spain.
Anal Chim Acta. 2013 Sep 10;794:20-8. doi: 10.1016/j.aca.2013.07.047. Epub 2013 Jul 29.
This study focuses on the development and extension of Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) to the analysis of four-way datasets. The proposed extension of the MCR-ALS method with non-negativity and the newly developed quadrilinear constraints can be exploited to summarize and manage huge multidimensional datasets and resolve their four way component profiles. In this study, its application is demonstrated by analyzing a four-way data set obtained in a long term environmental monitoring study (15 sampling sites×9 variables×12 months×7 years) belonging to the Yamuna River, one of the most polluted rivers of India and the largest tributary of the Ganges river. MCR-ALS resolved pollution profiles described appropriately the major observed changes on pH, organic pollution, bacteriological pollution and temperature, along with their spatial and temporal distribution patterns for the studied stretch of Yamuna River. Results obtained by MCR-ALS have also been compared with those obtained by another multi-way method, PARAFAC. The methodology used in this study is completely general and it can be applied to other multi-way datasets.
本研究致力于将多元曲线分辨-交替最小二乘法(MCR-ALS)扩展到四路数据集的分析中。所提出的 MCR-ALS 方法的非负性扩展和新开发的四线性约束可以用于总结和管理庞大的多维数据集,并解析其四路组件分布。在这项研究中,通过分析属于印度污染最严重的河流之一和恒河最大支流的亚穆纳河的一项长期环境监测研究(15 个采样点×9 个变量×12 个月×7 年)获得的四路数据集,演示了其应用。MCR-ALS 解析的污染分布恰当地描述了 pH 值、有机污染、细菌污染和温度的主要观察到的变化,以及它们在研究的亚穆纳河河段的时空分布模式。MCR-ALS 得到的结果也与另一种多向方法 PARAFAC 得到的结果进行了比较。本研究中使用的方法是完全通用的,可以应用于其他多向数据集。