4.7 Article

Molecular spectroscopic analyses of gelatin

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PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2011.07.012

Keywords

Natural protein; Amino acids; FTIR; DFT

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The molecular structure of gelatin was studied using Fourier transform infrared spectroscopy FTIR. The spectrum is subjected to deconvolution in order to elucidate the constituents of the molecular structure. B3LYP/6-31g** was used to study 13 amino acids then the scaled spectrum was compared to those of protein in order to describe the contribution of each amino acid into protein structure. A special interest was paid to the NH and C=O region. The reactivity of each amino acid was studied in terms of some important physical parameters like total dipole moment and HOMO/LUMO which describe the interaction of amino acid with their surrounding molecules. Results indicated that B3LYP/6-31g** model is a suitable and precise method for studying molecular structure of protein. (C) 2011 Elsevier B.V. All rights reserved.

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