title: Chemometrics and vibrational spectroscopy as green tools for mine phytoremediation strategies.
abstract: This study describes the use of near infrared (NIR) spectroscopy in combination with chemometrics to characterise Combretum erythrophyllum plant material to determine differences in the chemical profiles of samples harvested from mine contaminated areas and those of natural populations. The chemometric computation of near infrared vibrational spectra was used to generate principal component analysis and partial least squares models. These models were used to determine seasonal differences in the chemical matrices of samples harvested from the mine sites with different levels of contamination. Principal component analysis scatter plots illustrated clustering of phenolic profiles of samples depending on whether they originated from contaminated or uncontaminated soils. A partial least squares model was developed to link the variations in the chemical composition and levels of contamination in all samples collected in the same season (autumn). The levels of total soluble phenolic compounds in leaf extracts of C. erythrophyllum were measured using the Folin-Ciocalteau assay. Data analysis of the samples revealed that plants harvested from mine sites, particularly in summer, produced a higher level of phenolic compounds than those of the natural population, thereby displaying a good correlation with the chemometric models.
authors.affiliation: Tshwane University of Technology, Department of Chemistry, Private Bag X680, Pretoria 0001, South Africa. mokgalakans@tut.ac.za
authors.forename: N S
authors.initials: NS
authors.lastname: Mokgalaka-Matlala
authors.forename: T
authors.initials: T
authors.lastname: Regnier
authors.forename: S
authors.initials: S
authors.lastname: Combrinck
authors.forename: C R
authors.initials: CR
authors.lastname: Kouekam
authors.forename: I M
authors.initials: IM
authors.lastname: Weiersbye
mesh_terms: D001673:Biodegradation, Environmental; D018533:Biomass; D002625:Chemistry, Organic / Q000379:methods*; D029765:Combretum / Q000254:growth & development / Q000378:metabolism*; D055772:Green Chemistry Technology / Q000379:methods*; D016018:Least-Squares Analysis; D008906:Mining; D010636:Phenols; D018515:Plant Leaves / Q000378:metabolism; D025341:Principal Component Analysis; D012621:Seasons; D012995:Solubility; D019265:Spectroscopy, Near-Infrared; D014732:Vibration
chemical_list: D010636:Phenols