Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario, Instituto de Química de Rosario (IQUIR-CONICET), Suipacha 531, Rosario, S2002LRK, Argentina.
J Chromatogr A. 2019 Feb 22;1587:2-13. doi: 10.1016/j.chroma.2019.01.012. Epub 2019 Jan 9.
This review discusses recent advances in both theory and experiment regarding multi-way chromatographic calibration. The focus is directed towards the chemometric processing of multi-way data arrays in which one or more instrumental modes describe the elution time behavior across liquid or gas chromatographic columns, and the remaining ones are of spectroscopic nature, e.g. UV-vis absorption, fluorescence emission (either as vectors or matrices) or mass spectrometry. Successful multi-way data decomposition into profiles for the contributing components allows one to perform quantitative analysis of complex samples. Quantitative applications usually make appropriate use of the second-order advantage which is inherent to multi-way data processing, and reduce the complexity of the data to a virtual univariate calibration which is typical of classical analytical chemistry. A number of recent experimental works will be discussed to illustrate the above concepts.
本综述讨论了多向色谱校准在理论和实验方面的最新进展。重点是针对多向数据数组的化学计量学处理，其中一个或多个仪器模式描述了液相或气相色谱柱中的洗脱时间行为，而其余模式则具有光谱性质，例如紫外-可见吸收、荧光发射（无论是向量还是矩阵）或质谱。成功地将多向数据分解为贡献成分的谱图，允许对复杂样品进行定量分析。定量应用通常会充分利用多向数据处理固有的二阶优势，并将数据的复杂性降低到类似于经典分析化学的虚拟单变量校准。将讨论一些最近的实验工作，以说明上述概念。
