Solid-state IR-LD spectroscopic and theoretical analysis of glycine-containing peptides and their hydrochlorides.
As part of an investigation on the coordination ability of peptides, structural analyses of the solid di-, tri, and tetrapeptides glycyl-glycine (GG), glycyl-glycyl-glycine (GGG), glycyl-glycyl-glycyl-glycine (GGGG), and their protonated hydrochlorides glycyl-glycine.HCl (GGH), glycyl-glycyl-glycine.HCl (GGGH), and glycyl-glycyl-glycyl-glycine.HCl (GGGGH) have been carried out. The quantum chemical calculations (Hartree-Fock/6-31++G**) and linear-dichroic infrared (IR-LD) spectroscopy predict a near to linear structure of the pure ligands, but the experimental IR-LD data are in accordance with a cross-linked disposition of amide fragments in the protonated forms.
Ivanova
Bojidarka B
BB
Sofia University, St. Kl. Ohridsky,Faculty of Chemistry,1164 Sofia, Bulgaria. ahbi@chem.uni-sofia.bg
Kolev
Tsonko
T
Zareva
Sonya Y
SY
D001704:Biopolymers / Q000737:chemistry; D005998:Glycine / Q000737:chemistry*; D006033:Glycylglycine / Q000737:chemistry; D006851:Hydrochloric Acid / Q000737:chemistry; D008958:Models, Molecular; D009842:Oligopeptides / Q000737:chemistry*; D011487:Protein Conformation; D011522:Protons; D013055:Spectrophotometry, Infrared
D001704:Biopolymers; D009842:Oligopeptides; D011522:Protons; D006033:Glycylglycine; C035647:glycyl-glycyl-glycine; D006851:Hydrochloric Acid; C046274:glycyl-glycyl-glycyl-glycine; D005998:Glycine