M. Alcaraz, A. Schwaighofer, H. Goicoechea, B. Lendl:
"Application of MCR-ALS to reveal intermediate conformations in the thermally induced α-β transition of poly-l-lysine monitored by FT-IR spectroscopy";
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
Temperature-induced conformational transitions of poly-l-lysine were monitored with Fourier-transform infrared (FT-IR) spectroscopy between 10 °C and 70 °C. Chemometric analysis of dynamic IR spectra was performed by multivariate curve analysis-alternating least squares (MCR-ALS) of the amide I′ and amide II′ spectral region. With this approach, the pure spectral and concentration profiles of the conformational transition were obtained. Beside the initial α-helical, the intermediate random coil/extended helices and the final β-sheet structure, an additional intermediate PLL conformation was identified and attributed to a transient β-sheet structure.
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