Two-dimensional infrared spectral signatures of [3.sub.10-] and [alpha]-helical peptides
Article Abstract:
The two-dimensional infrared (2D- IR) spectra of [C.sub.alpha]-alkylated model octapeptides Z-[(Aib).sub.8]-OtBu, Z-[(Aib).sub.5]-L-Leu-[(Aib).sub.2]-OMe and Z-[[L-([alpha]MeVal)].sub.8]-OtBu in the amide I region is evaluated to determine the 2D spectral signatures features of [3.sub.10-] and [alpha]-helical conformations. The sensitivity of cross-peak trends to various helical conformations and the dependence of chain lengths of the special characteristics for short [3.sub.10-] and alpha-helices are described.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Collective oscillations and the linear two-dimensional infrared spectra of inhomogeneous beta-sheets
Article Abstract:
The collective amide I oscillations and the associated linear and two-dimensional infrared (2DIR) spectra for model antiparrel beta-sheets is numerically calculated and the effect of homogeneity is studied. The 2DIR spectra energy disorder leads to diagonal stretching of the diagonal peaks, while the cross-peaks are typically stretched more horizontal.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Nonadiabatic effect in the two-dimensional infrared spectra of peptides: Application to alanine dipeptide
Article Abstract:
A study presents a method of simulating two-dimensional infrared spectra accounting for nonadiabatic effects in amide I modes of a dipeptide. Results reveal that population transfer between the amide 1 site vibrations affects the anisotropy at longer mixing times.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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