Structure of the amide I band of peptides measured by femtosecond nonlinear-infrared spectroscopy

Article Abstract:

A study was conducted to analyze the utlrafast response of the modes in the 1600-1700 cm(super -1) region of N-methylacetamide and three small globular peptides. Femtosecond infrared pump probe and dynamic hole burning experiments were carried out to examine the ultrafast response. Experimental results indicated that population equilibration was slower than vibrational relaxation. Findings also showed that vibrational relaxation was faster on the low-frequency side than on the high-frequency side of the amide I band.

Infrared spectroscopy, Amides

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Efficient conformational search method for peptides and proteins: Monte Carlo minimization with an adaptive bias

Article Abstract:

The Monte Carlo minimization (MCM) method is based on a random selection of torsional angle values. A new procedure MCM with an adaptive bias MCMAB, is introduced, in which selection of trial dihedral angles for a change is not random as in the usual MCM but is biased toward values that have appeared frequently in previous MC steps.

Monte Carlo method, Monte Carlo methods

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Transient 2D-IR spectroscopy: snapshots of the nonequilibrium ensemble during the picosecond conformational transition of a small peptide

Article Abstract:

Transient 2D infrared (two-dimensional infrared), (T2D-IR), snapshots of the peptide ensemble taken during the transition from the cis to the trans configuration are presented. The results suggest that the homogenous to the total width of the amide-I band changes during the course of the conformational transition.

Spectrum analysis, Spectroscopy

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