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

Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu (<i<Theobroma grandiflorum</i<) pulp prepared with either water, methanol, acetonitrile or combinations thereof were subjec...
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Autor*in:	Nerilson M. Lima [verfasserIn] Gesiane S. Lima [verfasserIn] Gabriel F. dos Santos [verfasserIn] Gagan Preet [verfasserIn] Lanaia I. L. Maciel [verfasserIn] Teresinha de Jesus A. S. Andrade [verfasserIn] Marcel Jaspars [verfasserIn] Andrea R. Chaves [verfasserIn] Boniek G. Vaz [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	ambient mass spectrometry ionization cupuassu untargeted metabolomics paper spray ionization mass spectrometry liquid chromatography–mass spectrometry

Übergeordnetes Werk:	In: Metabolites - MDPI AG, 2012, 13(2023), 3, p 367
Übergeordnetes Werk:	volume:13 ; year:2023 ; number:3, p 367

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.3390/metabo13030367

Katalog-ID:	DOAJ087296012

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callnumber-first	Q - Science
author	Nerilson M. Lima
spellingShingle	Nerilson M. Lima misc QR1-502 misc ambient mass spectrometry ionization misc cupuassu misc <i<Theobroma grandiflorum</i< misc untargeted metabolomics misc paper spray ionization mass spectrometry misc liquid chromatography–mass spectrometry misc Microbiology Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS
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topic_title	QR1-502 Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS ambient mass spectrometry ionization cupuassu <i<Theobroma grandiflorum</i< untargeted metabolomics paper spray ionization mass spectrometry liquid chromatography–mass spectrometry
topic	misc QR1-502 misc ambient mass spectrometry ionization misc cupuassu misc <i<Theobroma grandiflorum</i< misc untargeted metabolomics misc paper spray ionization mass spectrometry misc liquid chromatography–mass spectrometry misc Microbiology
topic_unstemmed	misc QR1-502 misc ambient mass spectrometry ionization misc cupuassu misc <i<Theobroma grandiflorum</i< misc untargeted metabolomics misc paper spray ionization mass spectrometry misc liquid chromatography–mass spectrometry misc Microbiology
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title	Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS
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title_full	Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS
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author_browse	Nerilson M. Lima Gesiane S. Lima Gabriel F. dos Santos Gagan Preet Lanaia I. L. Maciel Teresinha de Jesus A. S. Andrade Marcel Jaspars Andrea R. Chaves Boniek G. Vaz
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title_sort	assessing the effectiveness of chemical marker extraction from amazonian plant cupuassu (<i<theobroma grandiflorum</i<) by psi-hrms/ms and lc-hrms/ms
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title_auth	Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS
abstract	Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu (<i<Theobroma grandiflorum</i<) 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.
abstractGer	Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu (<i<Theobroma grandiflorum</i<) 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.
abstract_unstemmed	Employing a combination of liquid chromatography electrospray ionization and paper spray ionization high-resolution tandem mass spectrometry, extracts from cupuassu (<i<Theobroma grandiflorum</i<) 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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title_short	Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS
url	https://doi.org/10.3390/metabo13030367 https://doaj.org/article/3e811317ce994c26a712dc86d4341c19 https://www.mdpi.com/2218-1989/13/3/367 https://doaj.org/toc/2218-1989
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Assessing the Effectiveness of Chemical Marker Extraction from Amazonian Plant Cupuassu (<i<Theobroma grandiflorum</i<) by PSI-HRMS/MS and LC-HRMS/MS

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