{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Waeytens J"],"funding":["Fonds De La Recherche Scientifique - FNRS","Service Public de Wallonie"],"pagination":["621-627"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9851152"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["95(2)"],"pubmed_abstract":["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."],"journal":["Analytical chemistry"],"pubmed_title":["Determination of Secondary Structure of Proteins by Nanoinfrared Spectroscopy."],"pmcid":["PMC9851152"],"funding_grant_id":["DGO6","30467715","O001518F"],"pubmed_authors":["Raussens V","Dazzi A","Goormaghtigh E","De Meutter J","Waeytens J"],"additional_accession":[]},"is_claimable":false,"name":"Determination of Secondary Structure of Proteins by Nanoinfrared Spectroscopy.","description":"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.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-04-26T07:02:23.02Z","creation":"2025-04-06T12:03:38.06Z"},"accession":"S-EPMC9851152","cross_references":{"pubmed":["36598929"],"doi":["10.1021/acs.analchem.2c01431"]}}