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GNPS_CG_plantas_native_brazil_metabolomics

ABSTRACT: Extraction protocols were adopted as described by Gachet et al. (2017), with specific modifications. The solvent dichloromethane (DCM) was replaced by ethanol (EtOH) for samples intended for analysis by low and high resolution Liquid Chromatography coupled to Mass Spectrometry (LC-MS). For samples obtained in the form of sachets for tea preparation, the procedure began with grinding the substrates, using a basic analytical grinder A 11 (IKA Moinhos). For materials obtained in natura, the procedure began with drying using liquid hydrogen and subsequent grinding of the substrates with the analytical grinder. The sample/solvent ratio adopted was 1 g of sample for 10 ml of solvent in both types of materials. Then, ultrasound extraction was carried out with EtOH.

INSTRUMENT(S): GCMS-QP2010SE

ORGANISM(S): Ruta Graveolens (ncbitaxon:37565) Anemopaegma Arvense (ncbitaxon:2029556) Allium Sativum (ncbitaxon:4682) Petiveria Alliacea (ncbitaxon:46142) Eucalyptus Globulus (ncbitaxon:34317) Coutarea Hexandra (ncbitaxon:85718) Dorstenia Brasiliensis (ncbitaxon:984796) Syzygium Aromaticum (ncbitaxon:219868)

SUBMITTER: Karolina Eduarda Ruiz Gomes

PROVIDER: MSV000095239 | GNPS | Wed Jul 03 16:58:00 BST 2024

REPOSITORIES: GNPS

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Project description:This a model from the article: Critical study of and improvements in chromatographic methods for the analysis of type B trichothecenes. Mateo JJ, Llorens A, Mateo R, Jimenez M. J Chromatogr A 2001 May 18;918(1):99-112 11403460 , Abstract: Various analytical methods used in the analysis of type B trichothecenes (deoxynivalenol, nivalenol, 3- and 15-acetyldeoxynivalenol) in cereals were compared and optimised in this work. These methods use either GC-electron-capture detection (ECD) of trimethylsilyl, trifluoroacetyl and heptafluorobutyryl derivatives or HPLC with UV or photodiode array detection of analytes. A new HPLC procedure using fluorescence detection prior derivatisation with coumarin-3-carbonyl chloride has been also tested. Five extraction solvents and two solid-phase extraction cartridges (silica, Florisil) plus a especial clean-up column (MycoSep 225) were compared in order to obtain the best recovery of the mycotoxins with minimal presence of coextractives in the chromatograms. The chosen extraction solvent was a mixture of acetonitrile-water (84:16, v/v). The MycoSep 225 column was chosen as the best alternative for clean-up of grain samples. For GC-ECD analysis, derivatisation of analytes with heptafluorobutyric anhydride prior the final determination was chosen as the most suitable procedure. HPLC-photodiode array (at 221 nm) analysis was more suitable for determination of type B trichothecenes than HPLC of the fluorescent coumarin-3-carbonyl derivatives. Recoveries obtained in spiked corn, rice and wheat are reported. The utility of the proposed methodology was assayed in cereal cultures of various Fusarium strains. This model was taken from the CellML repository and automatically converted to SBML. The original model was: Mateo JJ, Llorens A, Mateo R, Jimenez M. (2001) - version=1.0 The original CellML model was created by: Catherine Lloyd c.lloyd@auckland.ac.nz The University of Auckland This model originates from BioModels Database: A Database of Annotated Published Models (http://www.ebi.ac.uk/biomodels/). It is copyright (c) 2005-2011 The BioModels.net Team. To the extent possible under law, all copyright and related or neighbouring rights to this encoded model have been dedicated to the public domain worldwide. Please refer to CC0 Public Domain Dedication for more information. In summary, you are entitled to use this encoded model in absolutely any manner you deem suitable, verbatim, or with modification, alone or embedded it in a larger context, redistribute it, commercially or not, in a restricted way or not.. To cite BioModels Database, please use: Li C, Donizelli M, Rodriguez N, Dharuri H, Endler L, Chelliah V, Li L, He E, Henry A, Stefan MI, Snoep JL, Hucka M, Le Novère N, Laibe C (2010) BioModels Database: An enhanced, curated and annotated resource for published quantitative kinetic models. BMC Syst Biol., 4:92.

Project description:Understanding the interplay of the proteome and the metabolome aids in understanding cellular phenotypes. To enable more robust inferences from such multi-omics analyses, combining proteomic and metabolomic datasets from the same sample provides major benefits by reducing technical variation between extracts during the pre-analytical phase, decreasing sample variation due to varying cellular content between aliquots, and limiting the required sample amount. We evaluated the advantages, practicality and feasibility of a single-sample workflow for combined proteome and metabolome analysis. In the workflow, termed MTBE-SP3, we combined a fully automated protein lysis and extraction protocol (autoSP3) with a semi-automated biphasic 75% EtOH/MTBE extraction for quantification of polar/non-polar metabolites. Additionally, we compared the resulting proteome of various biological matrices (FFPE tissue, fresh-frozen tissue, plasma, serum and cells) between autoSP3 and MTBE-SP3. Our analysis revealed that the single-sample workflow provided similar results to those obtained from autoSP3 alone, with an 85-98% overlap of proteins detected across the different biological matrices. Additionally, it provides distinct advantages by decreasing (tissue) heterogeneity by retrieving metabolomics and proteomic data from the identical biological material, and limiting the total amount of required material. Lastly, we applied MTBE-SP3 to a lung adenocarcinoma cohort of 10 patients. Integrating the metabolic and proteomic alterations between tumour and non-tumour adjacent tissue yielded consistent data independent of the method used. This revealed mitochondrial dysfunction in tumor tissue through deregulation of OGDH, SDH family enzymes and PKM. In summary, MTBE-SP3 enables the facile and confident parallel measurement of proteins and metabolites obtained from the same sample. This workflow is particularly applicable for studies with limited sample availability and offers the potential to enhance the integration of metabolomic and proteomic datasets.

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GNPS_CG_plantas_native_brazil_metabolomics

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