FT-IR and DFT study of lemon peel

K. V. Berezin; A. M. Likhter; I. T. Shagautdinova; M. L. Chernavina; A. V. Novoselova

doi:10.1117/12.2267975

24 March 2017 FT-IR and DFT study of lemon peel

K. V. Berezin, A. M. Likhter, I. T. Shagautdinova, M. L. Chernavina, A. V. Novoselova

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.

Citation Download Citation

K. V. Berezin, A. M. Likhter, I. T. Shagautdinova, M. L. Chernavina, and 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); https://doi.org/10.1117/12.2267975

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