The experimental vibrational infrared spectrum of lemon peel and simulation of spectral properties of the plant cell wall

The experimental vibrational IR spectra of the outer part of lemon peel are recorded in the range of 3800–650 cm –1 . The effect of artificial and natural dehydration of the peel on its vibrational spectrum is studied. It is shown that the colored outer layer of lemon peel does not have a noticeable...

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Bibliographic Details
Published in:Optics and spectroscopy 2017-09, Vol.123 (3), p.495-500
Main Authors: Berezin, K. V., Shagautdinova, I. T., Chernavina, M. L., Novoselova, A. V., Dvoretskii, K. N., Likhter, A. M.
Format: Article
Language:English
Subjects:
Cellulose fibers
Computer simulation
Dehydration
Geometrical and Applied Optics
Infrared spectroscopy
Lasers
Optical Devices
Optics
Pectin
Photonics
Physics
Physics and Astronomy
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Summary:The experimental vibrational IR spectra of the outer part of lemon peel are recorded in the range of 3800–650 cm –1 . The effect of artificial and natural dehydration of the peel on its vibrational spectrum is studied. It is shown that the colored outer layer of lemon peel does not have a noticeable effect on the vibrational spectrum. Upon 28-day storage of a lemon under natural laboratory conditions, only sequential dehydration processes are reflected in the vibrational spectrum of the peel. Within the framework of the theoretical DFT/B3LYP/6-31G(d) method, a model of a plant cell wall is developed consisting of a number of polymeric molecules of dietary fibers like cellulose, hemicellulose, pectin, lignin, some polyphenolic compounds (hesperetin glycoside-flavonoid), and a free water cluster. Using a supermolecular approach, the spectral properties of the wall of a lemon peel cell was simulated, and a detailed theoretical interpretation of the recorded vibrational spectrum is given.
ISSN:0030-400X
1562-6911
DOI:10.1134/S0030400X17090089