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@INPROCEEDINGS{Jindamol:1048736,
      author       = {Jindamol, Hathairut and Thiele, Björn and Wuyts, Nathalie
                      and Müller-Linow, Mark and Chutimaukul, Panita and
                      Mosaleeyanon, Kriengkrai and Toojinda, Theerayut and
                      Rascher, Uwe and Junker-Frohn, Laura},
      title        = {{A}dvanced mathematical modelling of hyperspectral data to
                      quantify the optically inactive secondary metabolites
                      eugenol and methyl eugenol in the medicinal plant holy
                      basil},
      reportid     = {FZJ-2025-04851},
      year         = {2025},
      abstract     = {The quantification of secondary metabolite content is
                      crucial for the industrial production of high-quality
                      essential oil from medicinal plants, i.e. to determine an
                      optimal harvest time to achieve the desired quality.
                      Spectral reflectance measurements provide a potential
                      technique to perform non-destructive and real-time
                      monitoring of secondary metabolite content. However, not all
                      secondary metabolites are optically active in the range of
                      hyperspectral sensors. In this study, a method for the
                      non-destructive quantification of eugenol (Eu) and methyl
                      eugenol (MeEu) in holy basil (Ocimum tenuiflorum L.) was
                      developed by combining leaf-level hyperspectral measurements
                      with mathematical modelling based on partial least squares
                      regression (PLSR). To generate a wide range dataset of
                      secondary metabolite content, three experiments
                      investigating developmental variation, osmotic stress
                      response and secondary metabolism induction by methyl
                      jasmonate were conducted with two commercial cultivars.
                      Hyperspectral point measurement (350-2500 nm) of individual
                      leaves were combined with destructive quantification of Eu
                      and MeEu by gas chromatography-mass spectrometry. We
                      observed variation of Eu and MeEu concentrations between
                      cultivars, treatments, and leaf ages. PLSR modelling based
                      on the full wavelength spectrum resulted in quantification
                      of Eu and MeEu with R2 of 0.62 and 0.70, respectively, with
                      RMSEP of 1.10 and 0.98. We explain the high correlation by
                      an indirect quantification of these compounds based on
                      associated changes in plant secondary metabolism. This study
                      demonstrated that hyperspectral data combined with PLSR
                      provides a promising technique for the non-destructive
                      quantification of foliar secondary metabolites for
                      industrial applications even in absence of specific
                      absorption feature within the measurement range.},
      month         = {Jul},
      date          = {2025-07-08},
      organization  = {SEB Annual Conference Antwerp 2025,
                       Antwerp (Belgium), 8 Jul 2025 - 11 Jul
                       2025},
      subtyp        = {After Call},
      cin          = {IBG-2},
      cid          = {I:(DE-Juel1)IBG-2-20101118},
      pnm          = {2171 - Biological and environmental resources for
                      sustainable use (POF4-217)},
      pid          = {G:(DE-HGF)POF4-2171},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://juser.fz-juelich.de/record/1048736},
}