title: Quantification of hydroxycinnamic acids and lignin in perennial forage and energy grasses by Fourier-transform infrared spectroscopy and partial least squares regression.
abstract: Levels of lignin and hydroxycinnamic acid wall components in three genera of forage grasses (Lolium,Festuca and Dactylis) have been accurately predicted by Fourier-transform infrared spectroscopy using partial least squares models correlated to analytical measurements. Different models were derived that predicted the concentrations of acid detergent lignin, total hydroxycinnamic acids, total ferulate monomers plus dimers, p-coumarate and ferulate dimers in independent spectral test data from methanol extracted samples of perennial forage grass with accuracies of 92.8%, 86.5%, 86.1%, 59.7% and 84.7% respectively, and analysis of model projection scores showed that the models relied generally on spectral features that are known absorptions of these compounds. Acid detergent lignin was predicted in samples of two species of energy grass, (Phalaris arundinacea and Pancium virgatum) with an accuracy of 84.5%.
authors.affiliation: Institute of Biological, Environmental and Rural Sciences, Aberystwyth University Gogerddan, Aberystwyth, Ceredigion, UK. gordon.allison@bbsrc.ac.uk
authors.forename: Gordon G
authors.initials: GG
authors.lastname: Allison
authors.forename: Simon C
authors.initials: SC
authors.lastname: Thain
authors.forename: Phillip
authors.initials: P
authors.lastname: Morris
authors.forename: Catherine
authors.initials: C
authors.lastname: Morris
authors.forename: Sarah
authors.initials: S
authors.lastname: Hawkins
authors.forename: Barbara
authors.initials: B
authors.lastname: Hauck
authors.forename: Tim
authors.initials: T
authors.lastname: Barraclough
authors.forename: Nicola
authors.initials: N
authors.lastname: Yates
authors.forename: Ian
authors.initials: I
authors.lastname: Shield
authors.forename: Anthony V
authors.initials: AV
authors.lastname: Bridgwater
authors.forename: Iain S
authors.initials: IS
authors.lastname: Donnison
mesh_terms: D000465:Algorithms; D003373:Coumaric Acids / Q000032:analysis*; D003627:Data Interpretation, Statistical; D016018:Least-Squares Analysis; D008031:Lignin / Q000032:analysis*; D006109:Poaceae / Q000737:chemistry*; D012044:Regression Analysis; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: D003373:Coumaric Acids; D008031:Lignin