Application of topological indexes for evaluation of the TLC separation of selected essential oil components
Pyka, A.; Bober, K.; Gurak, D.; Niestroj, A.
Acta Poloniae Pharmaceutica 59(2): 87-91
2002
ISSN/ISBN: 0001-6837 PMID: 12365610 Document Number: 544266
The selected essential oil components (menthol, (+)bomeol, geraniol, linalool, carvone, camphor, (IR)-(-)fenchone) were separated by adsorption thin-layer chromatography using benzene as mobile phase. Investigated terpenes were characterized by selected topological indexes based on the adjacency and distance matrix. From among all the topological indexes counted only Si(o) index (the sum of the distance between the oxygen atom and all the remaining atoms in graph) as well as cluster Randić indexes (4chi(c), and 4chi(v)c) allow for estimation of the chromatograms obtained. With the fact mentioned above, there exists the possibility of prediction of relative situation on a chromatogram of the terpenes investigated. For the rest of topological indexes that possibility was not stated.