Dataset Information

Chemical Profile of Ocotea delicata (Lauraceae) Using Ultra High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry-Global Natural Products Social Molecular Networking Workflow.

ABSTRACT: Ocotea, the largest genus in the Lauraceae family, encompasses numerous species of scientific interest. However, most Ocotea species have only been described morphologically. This study used an untargeted metabolomics workflow with UHPLC-HRMS and GNPS-FBMN to provide the first chemical evaluation of the polar specialized metabolites of O. delicata leaves. Leaves from three O. delicata specimens were extracted using ultrasound-assisted extraction with 70% ethanol. Among the examined samples, 44 metabolites, including alkaloids and flavonoids, were identified. In contrast to other Ocotea species, O. delicata has a wider diversity of kaempferol derivatives than quercetin. The biomass of the specimens showed a significant correlation with the chemical profile. The similarity among specimens was mostly determined by the concentrations of quinic acid, kaempferol glycosides, and boldine. The evaluated specimens exhibited chemical features similar to those of species classified as New World Ocotea, with the coexistence of aporphine and benzylisoquinoline alkaloids.

SUBMITTER: da Silva Antonio A

PROVIDER: S-EPMC10975221 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature

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Chemical Profile of Ocotea delicata (Lauraceae) Using Ultra High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry-Global Natural Products Social Molecular Networking Workflow.

da Silva Antonio Ananda A Dos Santos Gustavo Ramalho Cardoso GRC Pereira Henrique Marcelo Gualberto HMG da Veiga-Junior Valdir Florêncio VF Wiedemann Larissa Silveira Moreira LSM

Plants (Basel, Switzerland) 20240316 6

Ocotea, the largest genus in the Lauraceae family, encompasses numerous species of scientific interest. However, most Ocotea species have only been described morphologically. This study used an untargeted metabolomics workflow with UHPLC-HRMS and GNPS-FBMN to provide the first chemical evaluation of the polar specialized metabolites of O. delicata leaves. Leaves from three O. delicata specimens were extracted using ultrasound-assisted extraction with 70% ethanol. Amon ...[more]

PMID: 38592892

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Project description:The knowledge about the molecular fraction contributing to white wines oxidative stability is still poorly understood. However, the role of S- and N-containing compounds, like glutathione and other peptides, as a source of reductant in many oxidation reactions, and acting against heavy metals toxicity, or lipid and polyphenol oxidation as ROS-scavenger is today very well established. In that respect, the aim of the present study is to introduce an original analytical tool for the direct determination of the available nucleophilic compounds in white wine under acidic pH conditions. One step derivatization of nucleophiles has been realized directly in wines using 4-methyl-1,2-benzoquinone (4MeQ) as an electrophilic probe. Derivatization conditions considering probe concentration, pH, reaction time, MS ionisation conditions and adducts stability, were optimized using model solutions containing standard sulfur and amino compounds (GSH, Cys, HCys and Ser-Aps-Cys-Asp-Ser, Asp-Met, Met and Glu). Ultra-high-performance liquid chromatography coupled to a quadrupole-time of flight mass spectrometer (UHPLC-QqTOF-MS) analysis of up to 92 white wines from different cultivars (Chardonnay, Sauvignon and Semillon) followed by Multivariate analysis (PLS DA) and Wilcoxon test allowed to isolate up to 141 putative wine relevant nucleophiles. Only 20 of these compounds, essentially thiols, were detectable in samples before derivatization, indicating the importance of the quinone trapping on the revelation of wine unknown nucleophiles. Moreover, annotation using online database (Oligonet, Metlin and KEGG) as well as elementary formula determined by isotopic profile, provided evidence of the presence of amino acids (Val, Leu, Ile, Pro, Trp, Cys and Met) and peptides with important antioxidant properties. The complimentary set of MS/MS spectral data greatly accelerated identification of nucleophiles and enabled peptides sequencing. These results show that probing wines with 4-methyl-1,2-benzoquinone enhances thiols ionisation capacity and gives a better screening of specific S- N- containing functional compounds as part of the white wines antioxidant metabolome.

Dataset Information

Chemical Profile of Ocotea delicata (Lauraceae) Using Ultra High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry-Global Natural Products Social Molecular Networking Workflow.

Publications

Chemical Profile of <i>Ocotea delicata</i> (Lauraceae) Using Ultra High-Performance Liquid Chromatography-High-Resolution Mass Spectrometry-Global Natural Products Social Molecular Networking Workflow.

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