Authors
L Zheng, DG Watson, BF Johnston, Rachael L Clark, Ruangelie Edrada-Ebel, W Elseheri
Publication date
2009/5/29
Journal
Analytica Chimica Acta
Volume
642
Issue
1-2
Pages
257-265
Publisher
Elsevier
Description
A reverse phase high performance liquid chromatography (HPLC) separation was established for profiling water soluble compounds in extracts from tea. Whole chromatograms were pre-processed by techniques including baseline correction, binning and normalisation. In addition, peak alignment by correction of retention time shifts was performed using correlation optimization warping (COW) producing a correlation score of 0.96. To extract the chemically relevant information from the data, a variety of chemometric approaches were employed. Principle component analysis (PCA) was used to group the tea samples according to their chromatographic differences. Three principal components (PCs) described 78% of the total variance after peak alignment (64% before) and analysis of the score and loading plots provided insight into the main chemical differences between the samples. Finally, PCA, support vector …
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