Multi-way chromatographic calibration—A review.

Highlights • Multi-way chromatographic calibration protocols are reviewed. • The relation between chemometric models and data is discussed. • Application examples in various fields are detailed. Abstract 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. [ABSTRACT FROM AUTHOR]