Binary and ternary mobile phases
A new strategy for investigation of metabolic fingerprints in complex systems was developed based on a combination of open column chromatography, reversed-phase high-performance liquid chromatography and k-means clustering. A simplex centroid mixture design with four solvents, hexane, dichloromethane, ethyl acetate and methanol, was applied to a crude extract of the Bauhinia variegata L.
K-means clustering was used to screen the profiles of the binary and ternary mobile phases from high-performance liquid chromatography with diode array detection data. The seventeen k-means clusters were discriminated into three groups. The largest one containing The smallest group contains only 4. The other group judged to have spectral profiles intermediate between those of the other two contains 9.
Ternary and quaternary mixtures of the statistical design provided potentially useful information for fingerprinting Bauhinia variegata L.
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