Recent applications of chemometrics in one- and two-dimensional chromatography.
Tijmen S BosWouter C KnolStef R A MolenaarLeon E NiezenPeter J SchoenmakersGovert W SomsenBob W J PirokPublished in: Journal of separation science (2020)
The proliferation of increasingly more sophisticated analytical separation systems, often incorporating increasingly more powerful detection techniques, such as high-resolution mass spectrometry, causes an urgent need for highly efficient data-analysis and optimization strategies. This is especially true for comprehensive two-dimensional chromatography applied to the separation of very complex samples. In this contribution, the requirement for chemometric tools is explained and the latest developments in approaches for (pre-)processing and analyzing data arising from one- and two-dimensional chromatography systems are reviewed. The final part of this review focuses on the application of chemometrics for method development and optimization.
Keyphrases
- liquid chromatography
- high resolution mass spectrometry
- data analysis
- mass spectrometry
- highly efficient
- tandem mass spectrometry
- ultra high performance liquid chromatography
- simultaneous determination
- high performance liquid chromatography
- solid phase extraction
- gas chromatography
- gas chromatography mass spectrometry
- electronic health record
- signaling pathway
- high resolution
- big data
- loop mediated isothermal amplification
- machine learning