On the Spectroscopic Analyses of Protein
Amino acids are the building block of proteins so that some three amino acids with different forms were subjected to spectroscopic analyses. D-alanine, L-asparagine and glycine were studied by XRD, FTIR and molecular modeling. Structural geometry data are introduced based on FTIR and
DFT molecular modeling. B3LYP/6-31g** shows comparable results with FTIR experimental spectra, accordingly this model has been utilized to describe the structural properties of the studied amino acids. Bond lengths, bond angles are obtained. No significant differences were observed as one
compares non hydrated and hydrated amino acids bond lengths. While bond angles show significant differences between non- and hydrated amino acids.
Keywords: AMINO-ACIDS; DFT; FTIR; HYDRATION; XRD
Document Type: Research Article
Publication date: 01 October 2013
- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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