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FT-Raman and NMR investigation of the protein extracted from barley aleurone cells

M. TOMOAIA-COTIŞEL1, A. MOCANU1, N. LEOPOLD2, M. VASILESCU2, V. CHIŞ2, O. COZAR2,*

Affiliation

  1. Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering, Department of Physical Chemistry, Arany Janos Str., No. 11, RO-400028 Cluj-Napoca, Romania
  2. Babeş-Bolyai University, Faculty of Physics, Kogălniceanu Str., No. 1, RO-400084 Cluj-Napoca, Romania

Abstract

Investigations by FT-Raman and solid 13C NMR spectra of the major protein component of barley aleurone cells (PBAC) have been performed. The amide I band of the protein is present as a broad band at 1657 cm-1 and it suggests a dominant α-helix secondary structure for this protein. Also, this α-helix conformation is confirmed by the amide III band present at 1317 cm-1. On the other hand, the low intensities of the bands below 1260 cm-1 in the FT-Raman spectrum of this protein, suggest some contribution from beta sheet and/or random coil conformations. 13C NMR spectrum of protein in powder form has been recorded at room temperature and the chemical shifts of the carbon nuclei in the amino acids entering the protein sequence have been calculated by DFT method at B3LYP/cc-pVDZ level of theory. The proposed amino acid sequence is supported by theoretical chemical shifts calculations..

Keywords

FT-Raman spectrum, 13C NMR spectrum, Barley aleurone cells protein, Protein secondary structure, Geometry optimization.

Submitted at: Nov. 15, 2006
Accepted at: March 15, 2007

Citation

M. TOMOAIA-COTIŞEL, A. MOCANU, N. LEOPOLD, M. VASILESCU, V. CHIŞ, O. COZAR, FT-Raman and NMR investigation of the protein extracted from barley aleurone cells, Journal of Optoelectronics and Advanced Materials Vol. 9, Iss. 3, pp. 637-640 (2007)