Vibrational IR and Raman spectra of fullerene derivatives – fullerene-glycine (C60-Gly) and fullerene-phenylalanine (C60-Phe) were calculated. The parameters of hydrogen bridges of hydrogen bonds formed by water molecules with Gly and Phe fragments were determined. The vibrational spectra are analyzed and the frequency and intensity shifts corresponding to the q(OH) and q(NH) valence vibrations in the formation of hydrogen bonds were identified.
The electronic absorption spectra of two bovine serum albumin fragments containing tryptophan residues [Trp(134) and Trp (213)] were calculated and interpreted. The electronic spectra of both fragments were compared and the influence of amino acids in their composition on the electronic absorption spectra was considered. It was shown that the electron spectrum of lysine has absorption bands in the region above 300 nm, and the spectrum of alanine – absorption band in the region of 250-300 nm.
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