title: Solid-state IR-LD spectroscopic and theoretical analysis of arginine-containing peptides.
abstract: Structural prediction and IR-characteristic bands assignment of arginine-containing tri- and tetrapeptides glycyl-glycyl-arginine (GGArg) and glycyl-glycyl-arginyl-alanine (GGArgAla) have been carried out, using linear-dichroic infrared (IR-LD) spectroscopy of oriented solid-samples in a nematic liquid crystal suspension. Spectroscopic data have been supported with ab initio analysis (Hartree-Fock level of theory and 6-31++G** basis set). Predicted geometry parameters have been compared with known crystallographic ones of similar peptides, indicating a good correlation.
authors.affiliation: Institute of Organic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str. build. 9, 1113 Sofia, Bulgaria. kolev@orgchm.bas.bg
authors.forename: Tsonko
authors.initials: T
authors.lastname: Kolev
mesh_terms: D001120:Arginine / Q000737:chemistry*; D001704:Biopolymers / Q000737:chemistry; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D009842:Oligopeptides / Q000737:chemistry*; D011487:Protein Conformation; D011522:Protons; D013055:Spectrophotometry, Infrared
chemical_list: D001704:Biopolymers; D009842:Oligopeptides; D011522:Protons; C031918:glycyl-glycyl-argininal; D001120:Arginine