Chromatography and Chemometrics 2021

Dear Colleagues,

The combination of chromatography and chemometrics is becoming a precious tool to improve and increase the level of information that can be extracted from any complex system under study. In particular, hyphenated chromatographic techniques have achieved advanced technological developments. They can provide a vast amount of comprehensive, multivariate, and/or multimodal data. In addition to classic one-dimensional chromatography, comprehensive two-dimensional chromatographic techniques such as two-dimensional gas chromatography (GC×GC) and two-dimensional liquid chromatography (LC×LC), coupled with different detectors (mass spectrometry, diode-array, fluorescence, flame ionization detector, etc.), have demonstrated outstanding potential for the analysis of complex mixtures concerning enhanced sensitivity and the resolution power. The data collected from these systems are much more complex and need chemometric techniques to acquire meaningful information. Integrating chemometrics and chromatography can help exploit information that may not be provided by traditional data analysis approaches.

We intend to highlight the applications of chemometric methods. Among them, there are, for instance, multivariate resolution methods (assisting in resolving overlapping peaks and thus improving analyte identification and quantification), multivariate calibration methods (used to quantify compounds or to model different physicochemical properties of complex samples, e.g., quantitative structure–retention/property relationships based on chromatographic data), and multivariate discrimination/classification techniques (helping to assign samples to a priori defined groups and to explore data patterns or fingerprints).

This Special Issue aims to present the state-of-the-art and the benefits of this powerful combination exercised in different research fields, provide comprehensive reviews, discuss diverse applications, and encourage practitioners to use chemometric methods daily.

We are looking forward to receiving your proposals.

Prof. Dr. Michal Daszykowski
Dr. Joaquim Jaumot
Prof. Dr. Hadi Parastar
Guest Editors

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