دورية أكاديمية
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Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu ( Theobroma grandiflorum ) by PSI-HRMS/MS and LC-HRMS/MS.

التفاصيل البيبلوغرافية
العنوان: Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu ( Theobroma grandiflorum ) by PSI-HRMS/MS and LC-HRMS/MS.
المؤلفون: Lima NM; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil., Lima GS; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil., Dos Santos GF; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil., Preet G; Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, UK., Maciel LIL; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil., Andrade TJAS; Federal Institute of Maranhão, Timon Campus, Timon 65635-468, Brazil., Jaspars M; Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, UK., Chaves AR; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil., Vaz BG; Institute of Chemistry, Federal University of Goias, Goiânia 74690-900, Brazil.
المصدر: Metabolites [Metabolites] 2023 Mar 01; Vol. 13 (3). Date of Electronic Publication: 2023 Mar 01.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101578790 Publication Model: Electronic Cited Medium: Print ISSN: 2218-1989 (Print) Linking ISSN: 22181989 NLM ISO Abbreviation: Metabolites Subsets: PubMed not MEDLINE
أسماء مطبوعة: Original Publication: Basel : MDPI
مستخلص: Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu ( Theobroma grandiflorum ) pulp prepared with either water, methanol, acetonitrile or combinations thereof were subjected to metabolite fingerprinting. Among the tested extractors, 100% methanol extracted preferentially phenols and cinnamic acids derivatives, whereas acetonitrile and acetonitrile/methanol were more effective in extracting terpenoids and flavonoids, respectively. And while liquid chromatography- mass spectrometry detected twice as many metabolites as paper spray ionization tandem mass spectrometry, the latter proved its potential as a screening technique. Comprehensive structural annotation showed a high production of terpenes, mainly oleanane triterpene derivatives. of the mass spectra Further, five major metabolites with known antioxidant activity, namely catechin, citric acid, epigallocatechin-3'-glucuronide, 5,7,8-trihydroxyflavanone, and asiatic acid, were subjected to molecular docking analysis using the antioxidative enzyme peroxiredoxin 5 (PRDX5) as a model receptor. Based on its excellent docking score, a pharmacophore model of 5,7,8-trihydroxyflavanone was generated, which may help the design of new antioxidants.
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فهرسة مساهمة: Keywords: Theobroma grandiflorum; ambient mass spectrometry ionization; cupuassu; liquid chromatography–mass spectrometry; paper spray ionization mass spectrometry; untargeted metabolomics
تواريخ الأحداث: Date Created: 20230329 Latest Revision: 20230331
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC10056743
DOI: 10.3390/metabo13030367
PMID: 36984807
قاعدة البيانات: MEDLINE
الوصف
تدمد:2218-1989
DOI:10.3390/metabo13030367