Potential of Multivariate analyses of X-Ray fluorescence spectra for characterisation of the microchemical composition of plant materials

Agnese Brangule (Coresponding Author), Māris Bērtiņš, Artūrs Vīksna, Dace Bandere

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This work describes a method for the rapid element analysis of plant material using ED-XRF in conjunction with chemometrics. An effective analyses method is developed by measuring certified reference materials (CRM) of plant materials (algae, cabbage, lichen) covering major chemical elements with ED-XRF, to overcome the matrix effect. All samples have been measured additionally by ICP-MS. The ICP-MS analysis was used for missing information on the concentration of some elements in certificated standards. ICP-MS with CRM was used to determine sample related element sensitivity for microelements for ED-XRF analyses.
Instead of each element concentration calculation, the ED-XRF spectral patterns were used for Multivariate principal component analyses by SIMCA strategy. The model allows quickly analyse samples for similarity and differentiate them based on a little difference in spectral pattern, which correspondence to a minor difference in element concentration pattern. Samples with specific chemical composition could be easily spotted for in-depth analysis.The proposed strategy for plant material sample chemical composition screening allows the quick method to improve laboratory work efficiency, reduce unnecessary analysis and rapid method for control reliability of results of more complex chemical methods, such as ICP-MS.
Original languageEnglish
Publication statusPublished - 2021
Event12th International Conference Biosystems Engineering 2021 - Estonian University of Life, Institute of Technology, Tartu, Estonia
Duration: 5 May 20217 May 2021
Conference number: 12


Conference12th International Conference Biosystems Engineering 2021
Internet address


  • chemometrics
  • ED-XRF
  • ICP-MS
  • multivariate analysis
  • plants
  • screening analysis

Field of Science*

  • 1.6 Biological sciences
  • 3.1 Basic medicine
  • 1.4 Chemical sciences

Publication Type*

  • 3.4. Other publications in conference proceedings (including local)


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