Chromatographic Fingerprinting By Comprehensive Two-Dimensional Chromatography: Fundamentals And Tools

This contribution reviews state-of-the approaches for chromatographic fingerprinting of 2D peak patterns. Concepts of sample's fingerprint and profile, as established in metabolomics, are conceptually translated to comprehensive two-dimensional chromatography (C2DC) separations embracing the principles of biometric fingerprinting.Approaches founded on this principle referred to as chromatographic fingerprinting are described and discussed for their information potential and limitations for providing a higher level of information about sample composition. The different type of features (i.e., datapoint, region, peak, and peak-region) are discussed and insights on processing tools and advances in the development of new algorithms are provided. Selected examples cover the most relevant application fields of GC x GC. Challenging scenarios with severe chromatographic misalignment, parallel detection, and translation of methods from thermal to differential-flow modulated GC x GC are also considered for their relevance in specific applications. Machine learning/chemometrics tools are briefly introduced, highlighting their fundamental role in supporting fingerprinting workflows. (C) 2020 Elsevier B.V. All rights reserved.