Solid-state IR-LD spectroscopic and theoretical analysis of arginine-containing peptides |
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| Authors: | Kolev Tsonko |
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| Institution: | Institute of Organic Chemistry, Bulgarian Academy of Sciences, Acad. G. Bonchev Str. build. 9, 1113 Sofia, Bulgaria. kolev@orgchm.bas.bg |
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| 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. |
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| Keywords: | glycyl‐glycyl‐arginine glycyl‐glycyl‐arginyl‐alanine tri‐ and tetrapeptides IR–LD spectroscopy ab initio calculations solid‐state |
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