Title: Application of MCR-ALS to reveal intermediate conformations in the thermally induced α-β transition of poly-l-lysine monitored by FT-IR spectroscopy
Language: English
Authors: Alcaráz, Mirta Raquel 
Schwaighofer, Andreas 
Goicoechea, Héctor
Lendl, Bernhard  
Keywords: Fourier transform infrared spectroscopy; Multivariate curve analysis–alternating least squares; Secondary structure; Conformational analysis; Poly-L-lysine
Issue Date: 2017
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Abstract: 
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 ofdynamic IR spectra was performed by multivariate curve analysis–alternating least squares (MCR-ALS) ofthe amide I′ and amide II′ spectral region. With this approach, the pure spectral and concentration profiles ofthe conformational transitionwere 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.
DOI: 10.1016/j.saa.2017.05.005
Library ID: AC15518675
URN: urn:nbn:at:at-ubtuw:3-7531
ISSN: 1386-1425
Organisation: E164 - Institut für Chemische Technologien und Analytik 
Publication Type: Article
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