@phdthesis{Triyasmono2024,
  author    = {Triyasmono, Liling},
  title     = {Development and Application of Quantitative \(^1\)H NMR Spectroscopy and Chemometrics for Quality Determination of Red Fruit (\(Pandanus\) \(conoideus\), Lam.) Oil},
  doi       = {10.25972/OPUS-30272},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-302726},
  school      = {Universit{\"a}t W{\"u}rzburg},
  year      = {2024},
  abstract  = {In this thesis, a new approach of a qNMR method has been investigated to demonstrate the reliability and importance of this method as an alternative solution for analyzing oil quality parameters, especially in RFO, which has particular characteristics (red color). This study also includes the chemometric evaluation of spectral data for authentication, visual grouping, and prediction of RFO quality based on the degree of unsaturation, FFA value, and unsaturated fatty acid content. The analytical measurement procedure of NMR spectroscopy begins with optimization of the analytical acquisition parameters, including effect of solvent, effect of sample concentration, selection of appropriate internal standards, determination of T1, and method validation. Furthermore, the results of the method development were interpreted to RFO samples evaluation, which began with determining the assignment of signal spectra for the determination of AV, SV, EV, and IV simultaneously with: the hydrolysis approach and standard addition of palmitic acid.},
  subject      = {NMR-Spektroskopie},
  language  = {en}
}
@article{TriyasmonoSchollmayerSchmitzetal.2023,
  author    = {Triyasmono, Liling and Schollmayer, Curd and Schmitz, Jens and Hovah, Emilie and Lombo, Cristian and Schmidt, Sebastian and Holzgrabe, Ulrike},
  title     = {Simultaneous determination of the saponification value, acid value, ester value, and iodine value in commercially available red fruit oil (Pandanus conoideus, Lam.) using \(^1\)H qNMR spectroscopy},
  series = {Food Analytical Methods},
  volume    = {16},
  journal   = {Food Analytical Methods},
  number    = {1},
  issn      = {1936-9751},
  doi       = {10.1007/s12161-022-02401-4},
  url       = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-324728},
  pages     = {155-167},
  year      = {2023},
  abstract  = {Red fruit oil (RFO) can be extracted from fruits of Pandanus conoideus, Lam., an endogenous plant of Papua, Indonesia. It is a commonly used essential original traditional medicine. By applying a newly developed quantitative \(^1\)H NMR (qNMR) spectroscopy method for quality assessment, a simultaneous determination of the saponification value (SV), acid value (AV), ester value (EV), and iodine value (IV) in RFO was possible. Dimethyl sulfone (DMSO\(_2\)) was used as an internal standard. Optimization of NMR parameters, such as NMR pulse sequence, relaxation delay time, and receiver gain, finally established the \(^1\)H NMR-based quantification approach. Diagnostic signals of the internal standard at δ = 2.98 ppm, SV at δ = 2.37-2.20 ppm, AV at δ = 2.27-2.20 ppm, EV at δ = 2.37-2.27 ppm, and IV at δ = 5.37-5.27 ppm, respectively, were used for quantitative analysis. The method was validated concerning linearity (R\(^2\) = 0.999), precision (less than 0.83\%), and repeatability in the range 99.17-101.17\%. Furthermore, this method was successfully applied to crude RFO, crude RFO with palmitic and oleic acid addition, and nine commercial products. The qNMR results for the respective fat values are in accordance with the results of standard methods, as can be seen from the F- and t-test (< 1.65 and < 1.66, respectively). The fundamental advantages of qNMR, such as its rapidity and simplicity, make it a feasible and existing alternative to titration for the quality control of RFO.},
  language  = {en}
}