Study of HPLC Retention Behaviour of Furocoumarins inPeucedanum Palustrewith Reference to Solvent Selectivity and Molecular Connectivity

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Abstract
The separation factor (α) and molecular connectivity indices (χ) up to the sixth order were calculated and compared with measured revrsed-phase high pressure liquid chromatographic (HPLC) retention data for eight closely related furocoumarins from Peucedanum palustre. Retention measurements were performed over the capacity factor (k′) range 1–35 using organic solvent/water eluents containing acetonitrile, dioxan, ethanol, methanol, n-propanol and tetrahydrofuran. The solvents showed differences in the elution order of the furocoumarins. Decreasing the volume ratio (ϕ) increased in many cases the separation factor. The compounds were divided into two groups; the low-order valence level indices and path/cluster type of the fifth order valence level indices best described the retention. As the high correlations between the calculated and observed retention indicate, retention could be predicted in six organic solvents with a high degree of accuracy by the molecular connectivity indices.