Spectroscopic studies on bioactive polyacetylenes and other plant components in wild carrot root.

Polyacetylenes and other common plant components, such as starch, pectin, cellulose, and lignin, were studied in roots of the wild carrot (Daucus carota) subspecies D. carota subsp. gummifer and D. carota subsp. maximus by Raman spectroscopy. The components were measured in situ, directly in the plant tissue and without any preliminary sample preparation. The analysis was performed on the basis of the intense and characteristic key bands observed in the Raman spectrum. The two main carrot polyacetylenes falcarinol (1) and falcarindiol (2) have similar molecular structures, but their Raman spectra exhibit a small band shift in the symmetric -C≡C-C≡C- mode from 2258 cm⁻¹ to 2252 cm⁻¹. Quantum chemical calculations confirmed that the differences observed between the samples may be due to conformational and environmental changes. The polyacetylenes were also detected by Raman mapping, which visualized the distribution of the compounds across sections of carrot roots. The mapping technique was also applied to assess the distribution of lignin and polysaccharide compounds. The results showed the tissue-specific accumulation of starch and cell wall components such as lignin, pectin, and cellulose.