Combining FT-IR spectroscopy and multivariate analysis for qualitative and quantitative analysis of the cell wall composition changes during apples development

•A multivariate analysis of cell wall FT-IR spectra was developed.•PCA and k-means distinguished the samples according to development stage and cultivar.•PLS models of galacturonic acid, cellulose and hemicellulose were built.•Possibility to adopt rapid spectroscopic methods in the control of compos...

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Bibliographic Details
Published in:	Carbohydrate polymers 2015-01, Vol.115, p.93-103
Main Authors:	Szymanska-Chargot, M., Chylinska, M., Kruk, B., Zdunek, A.
Format:	Article
Language:	eng
Subjects:	Cell Wall - chemistry Cellulose - analysis Chemometry FT-IR Hexuronic Acids - analysis Malus - chemistry Malus - cytology Malus - growth & development Multivariate Analysis Plant cell wall Polysaccharides Polysaccharides - analysis Spectroscopic analysis Spectroscopy, Fourier Transform Infrared
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Summary:	•A multivariate analysis of cell wall FT-IR spectra was developed.•PCA and k-means distinguished the samples according to development stage and cultivar.•PLS models of galacturonic acid, cellulose and hemicellulose were built.•Possibility to adopt rapid spectroscopic methods in the control of compositional changes of plant cell wall. 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 1500–800cm−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 8.30mg/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.
ISSN:	0144-8617 1879-1344