Solid‐state IR–LD spectroscopic and theoretical analysis of arginine‐containing peptides

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. © 2006 Wiley Periodicals, Inc. Biopolymers 83: 39–45, 2006 This article was originally published online as an accepted preprint. The “Published Online” date corresponds to the preprint version. You can request a copy of the preprint by emailing the Biopolymers editorial office at biopolymers@wiley.com