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Analyse conformationnelle de la N ‐méthylamide de l'acide L ‐pyroglutamique par diffusion Rayleigh depolarisée, spectroscopie de vibration et calcul de l'energie conformationnelle
Author(s) -
Allard Michèle,
Avig Michel,
Bellocq AnneMarie
Publication year - 1975
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1975.360140803
Subject(s) - chemistry , pyroglutamic acid , dihedral angle , rayleigh scattering , amide , raman spectroscopy , diffusion , aqueous solution , deuterium , crystallography , stereochemistry , thermodynamics , molecule , organic chemistry , amino acid , hydrogen bond , biochemistry , physics , optics , quantum mechanics
Conformational analysis of N ‐methylamide of pyroglutamic acid has been performed by theoretical energy calculations and experimental physical techniques, namely, laser Raman spectroscopy and depolarized Rayleigh scattering. The two theoretically predicted conformations are evidenced in crystalline state (ψ 1 = +169°) and in aqueous solution (ψ 1 ≃ −20°). This study confirms the interest of a careful vibrational analysis of peptides and N ‐deuterated derivatives for providing an estimate of the dihedral angle ψ. The relationship between amide III frequency and ψ values is emphasized.