24 March 2017 FT-IR and DFT study of lemon peel
Author Affiliations +
Proceedings Volume 10336, Saratov Fall Meeting 2016: Optical Technologies in Biophysics and Medicine XVIII; 103360I (2017) https://doi.org/10.1117/12.2267975
Event: Saratov Fall Meeting 2016: Fourth International Symposium on Optics and Biophotonics, 2016, Saratov, Russian Federation
Abstract
Experimental FT-IR spectra of lemon peel are registered in the 650 - 3800 cm-1 range. The influence of peel artificial and natural dehydration on its vibrational spectrum is studied. The colored outer surface of lemon peel is proved not to have a significant impact on FT-IR spectrum. It is determined that only dehydration processes affect the FT-IR vibrational spectrum of the peel when a lemon is stored for 28 days under natural laboratory conditions. Polymer molecule models for dietary fibers, such as cellulose, hemicellulose, pectin, lignin, as well as hesperidin – flavonoid glycoside, and free moisture cluster are developed within the framework of DFT/B3LYP/6-31G(d) theoretical method. By implementing supramolecular approach, modeling of the vibrational FT-IR spectrum of lemon peel is carried out and its detailed theoretical interpretation is presented.
© (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
K. V. Berezin, K. V. Berezin, A. M. Likhter, A. M. Likhter, I. T. Shagautdinova, I. T. Shagautdinova, M. L. Chernavina, M. L. Chernavina, A. V. Novoselova, A. V. Novoselova, } "FT-IR and DFT study of lemon peel", Proc. SPIE 10336, Saratov Fall Meeting 2016: Optical Technologies in Biophysics and Medicine XVIII, 103360I (24 March 2017); doi: 10.1117/12.2267975; https://doi.org/10.1117/12.2267975
PROCEEDINGS
8 PAGES


SHARE
Back to Top