Structure determination of amyrin isomers in cuticular waxes: a combined DFT/vibrational spectroscopy methodology.

ABSTRACT: We present a new methodology for the structural characterization of amyrins, a class of triterpenoids found within the fruit and leaf cuticles of higher plants. Two amyrin isomers (α and β) have been studied taking into consideration a hydrophobic molecular scenario that mimics the cuticle matrix. DFT calculations have been employed in combination with experimental data from Raman vibrational spectroscopy and X-ray diffraction.

SUBMITTER: Gomez-Pulido LDM 

PROVIDER: S-EPMC9049878 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature