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    Item type:Publication,
    1H NMR-based machine learning methods for rapid authentication and composition profiling of crude palm oil
    (2026-09-01)
    Nggofur, Abdul
    ;
    Sueviriyapan, Natthapong
    ;
    Nuntawong, Noppadon
    ;
    Sutthiumporn, Ketsada
    ;
    Sooknoi, Tawan
    A rapid analytical workflow for determining geographical origin and predicting fatty acid composition of crude palm oil (CPO) was developed using <sup>1</sup>H NMR, GC-FID, and machine learning. Analyzing CPO samples from Indonesia, Malaysia, the Philippines, and Thailand using unsupervised fingerprinting with principal component analysis (PCA), t-distributed stochastic neighbor embedding (t-SNE), and uniform manifold approximation and projection (UMAP) revealed partial origin-based grouping. Supervised classification, validated via leave-one-out cross-validation (LOOCV) and uncertainty quantification (UQ), reliably discriminated the origins above random chance. Additionally, partial least squares regression (PLSR) accurately predicted oleic, linoleic and myristic acid levels measured by GC-FID, whereas the accuracy decreased for lauric, stearic and palmitic acids. PLSR reliability was rigorously validated using latent variable selection and permutation testing to rule out random correlations. Overall, this integrated <sup>1</sup>H NMR and machine learning approach offers a rapid tool for CPO geographical traceability and compositional evaluation, demonstrating its potential for industrial quality control.
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    Item type:Publication,
    Water-assisted ketonization of methyl palmitate to palmitone over metal incorporated TiO2 catalysts
    (2024-05-28)
    Pittayatornkul, Jetsadagorn
    ;
    Maluangnont, Tosapol
    ;
    Jongpatiwut, Siriporn
    ;
    Praserthdam, Piyasan
    ;
    Ogawa, Makoto
    Ketonization of methyl palmitate to palmitone, a bio-lube precursor, was investigated over noble metal (Pt, Ru, and Pd) incorporated TiO<inf>2</inf> catalysts in the presence of water under an atmospheric H<inf>2</inf>/N<inf>2</inf> flow. Methyl palmitate underwent hydrolysis to palmitic acid that ketonized to palmitone over Lewis Ti<sup>3+</sup> sites. The water co-feeding also suppressed hydrodeoxygenation of methyl palmitate and palmitone cracking leading to high palmitone selectivity. The incorporated metals facilitated H<inf>2</inf> dissociation/spillover on TiO<inf>2</inf> which generated more Lewis Ti<sup>3+</sup> sites for higher ketonization activity. At 400 °C, 0.5Pd/TiO<inf>2</inf> provided ∼90% conversion with >85% palmitone selectivity and >25 h stability, due to its efficient H<inf>2</inf> dissociation/spillover to continually recover Lewis Ti<sup>3+</sup> sites. Meanwhile 0.5Pt/TiO<inf>2</inf> promoted excessive hydrodeoxygenation, leading to the deactivation from CO poisoning at the metallic Pt sites. The findings of this study offer a sustainable approach for the selective production of bio-lube precursors from renewable fatty acid methyl esters.