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Determination of Secondary Structure of Proteins by Nanoinfrared Spectroscopy

par Waeytens, Jehan ;De Meutter, Joëlle ;Goormaghtigh, Erik ;Dazzi, Alexandre;Raussens, Vincent
Référence Analytical chemistry
Publication Publié, 2023-01

Article révisé par les pairs

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Résumé :

Nanoscale infrared spectroscopy (AFMIR) is becoming an important tool for the analysis of biological sample, in particular protein assemblies, at the nanoscale level. While the amide I band is usually used to determine the secondary structure of proteins in Fourier transform infrared spectroscopy, no tool has been developed so far for AFMIR. The paper introduces a method for the study of secondary structure of protein based on a protein library of 38 well-characterized proteins. Ascending stepwise linear regression (ASLR) and partial least square (PLS) regression were used to correlate spectrum characteristic bands with the major secondary structures (α-helixes and β-sheets). ASLR appears to provide better results than PLS. The secondary structure predictions are characterized by a root mean square standard error in a cross validation of 6.39% for α-helixes and 6.23% for β-sheets.