title: Combining FT-IR spectroscopy and multivariate analysis for qualitative and quantitative analysis of the cell wall composition changes during apples development.
abstract: The aim of this work was to quantitatively and qualitatively determine the composition of the cell wall material from apples during development by means of Fourier transform infrared (FT-IR) spectroscopy. The FT-IR region of 1500-800 cm(-1), containing characteristic bands for galacturonic acid, hemicellulose and cellulose, was examined using principal component analysis (PCA), k-means clustering and partial least squares (PLS). The samples were differentiated by development stage and cultivar using PCA and k-means clustering. PLS calibration models for galacturonic acid, hemicellulose and cellulose content from FT-IR spectra were developed and validated with the reference data. PLS models were tested using the root-mean-square errors of cross-validation for contents of galacturonic acid, hemicellulose and cellulose which was 8.30 mg/g, 4.08% and 1.74%, respectively. It was proven that FT-IR spectroscopy combined with chemometric methods has potential for fast and reliable determination of the main constituents of fruit cell walls.
authors.affiliation: Institute of Agrophysics, Polish Academy of Sciences, Doswiadczalna 4, 20-290 Lublin 27, Poland. Electronic address: m.szymanska@ipan.lublin.pl.
authors.forename: M
authors.initials: M
authors.lastname: Szymanska-Chargot
authors.affiliation: Institute of Agrophysics, Polish Academy of Sciences, Doswiadczalna 4, 20-290 Lublin 27, Poland.
authors.forename: M
authors.initials: M
authors.lastname: Chylinska
authors.affiliation: Institute of Agrophysics, Polish Academy of Sciences, Doswiadczalna 4, 20-290 Lublin 27, Poland.
authors.forename: B
authors.initials: B
authors.lastname: Kruk
authors.affiliation: Institute of Agrophysics, Polish Academy of Sciences, Doswiadczalna 4, 20-290 Lublin 27, Poland.
authors.forename: A
authors.initials: A
authors.lastname: Zdunek
mesh_terms: D002473:Cell Wall / Q000737:chemistry*; D002482:Cellulose / Q000032:analysis*; D006603:Hexuronic Acids / Q000032:analysis*; D027845:Malus / Q000737:chemistry* / Q000166:cytology / Q000254:growth & development*; D015999:Multivariate Analysis; D011134:Polysaccharides / Q000032:analysis*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D006603:Hexuronic Acids; D011134:Polysaccharides; C007819:galacturonic acid; C007916:hemicellulose; D002482:Cellulose
keywords: Chemometry; FT-IR; Plant cell wall; Polysaccharides; Spectroscopic analysis