Journal ArticleDOI
Authentication of saffron spice accessions from its common substitutes via a multiplex approach of UV/VIS fingerprints and UPLC/MS using molecular networking and chemometrics
Clayton C. Petro,Nesrine M. Hegazi,Amira R. Khattab,Andrej Frolov,Ludger A. Wessjohann,Mohamed A. Farag,Mohamed A. Farag +6 more
TLDR
In this article, molecular networking was used as a visualization tool for UPLC/MS dataset of saffron and its common substitutes i.e. safflower and calendula.About:
This article is published in Food Chemistry.The article was published on 2022-01-15. It has received 24 citations till now. The article focuses on the topics: Crocetin & Safranal.read more
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Dissection of Moringa oleifera leaf metabolome in context of its different extracts, origin and in relationship to its biological effects as analysed using molecular networking and chemometrics.
Zeinab T. Abdel Shakour,Radwa Hassan El-Akad,Abdelsamed I. Elshamy,Abd El-Nasser G. El Gendy,Ludger A. Wessjohann,Mohamed A. Farag +5 more
TL;DR: In this article , the first metabolome profiling of Moringa leaves of African origin using different solvent polarities via HR-UPLC/MS based molecular networking followed by multivariate data analyses for samples classification.
Journal ArticleDOI
How Does LC/MS Compare to UV in Coffee Authentication and Determination of Antioxidant Effects? Brazilian and Middle Eastern Coffee as Case Studies
Enas A. El-Hawary,Ahmed E. Zayed,Annegret Laub,Luzia V. Modolo,Ludger A. Wessjohann,Mohamed A. Farag +5 more
TL;DR: Investigating the antioxidant activity of authenticated Brazilian green and roasted Coffea arabica and C. robusta along with 15 commercial specimens collected from the Middle East presents a multiplex metabolomics approach to the quality control of coffee.
Journal ArticleDOI
Predictive Multi Experiment Approach for the Determination of Conjugated Phenolic Compounds in Vegetal Matrices by Means of LC-MS/MS
Eleonora Oliva,Federico Banti,Sara Palmieri,Eduardo Viteritti,Fabiola Eugelio,Alessia Pepe,Dario Compagnone,Manuel Sergi +7 more
TL;DR: In this article , the potential of the quadrupole/linear ion trap hybrid mass spectrometer (LIT-QqQ) was exploited to develop a semi-untargeted method for the identification of polyphenols in different food matrices.
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Metabolomics-Based Approach for Coffee Beverage Improvement in the Context of Processing, Brewing Methods, and Quality Attributes
TL;DR: In this paper , a review summarizes the applications of various mass spectrometry and nuclear magnetic resonance (NMR)-based metabolomics technologies in determining the impact of coffee breeding, origin, roasting, and brewing on coffee chemical composition, and considers this in relation to quality control (QC) determination, for example, by classifying defected and non-defected seeds or detecting the adulteration of raw materials.
Journal ArticleDOI
A Comprehensive Review on Grape Juice Beverage in Context to Its Processing and Composition with Future Perspectives to Maximize Its Value
TL;DR: In this paper , the state-of-the-art chemistry of colored grape juices and its analysis and nutritional values are presented. And a comparison between analytical methods for juice QC establishment is presented employing hyphenated platforms versus direct spectroscopic techniques.
References
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MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data
TL;DR: A new generation of a popular open-source data processing toolbox, MZmine 2 is introduced, suitable for processing large batches of data and has been applied to both targeted and non-targeted metabolomic analyses.
Journal ArticleDOI
Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking
Mingxun Wang,Jeremy Carver,Vanessa V. Phelan,Laura M. Sanchez,Neha Garg,Yao Peng,Don D. Nguyen,Jeramie D. Watrous,Clifford A. Kapono,Tal Luzzatto-Knaan,Carla Porto,Amina Bouslimani,Alexey V. Melnik,Michael J. Meehan,Wei-Ting Liu,Max Crüsemann,Paul D. Boudreau,Eduardo Esquenazi,Mario Sandoval-Calderón,Roland D. Kersten,Laura A. Pace,Robert A. Quinn,Katherine R. Duncan,Cheng-Chih Hsu,Dimitrios J. Floros,Ronnie G. Gavilan,Karin Kleigrewe,Trent R. Northen,Rachel J. Dutton,Delphine Parrot,Erin E. Carlson,Bertrand Aigle,Charlotte Frydenlund Michelsen,Lars Jelsbak,Christian Sohlenkamp,Pavel A. Pevzner,Anna Edlund,Anna Edlund,Jeffrey S. McLean,Jeffrey S. McLean,Jörn Piel,Brian T. Murphy,Lena Gerwick,Chih-Chuang Liaw,Yu-Liang Yang,Hans-Ulrich Humpf,Maria Maansson,Robert A. Keyzers,Amy C. Sims,Andrew R. Johnson,Ashley M. Sidebottom,Brian E. Sedio,Andreas Klitgaard,Charles B. Larson,Charles B. Larson,Cristopher A. Boya P.,Daniel Torres-Mendoza,David Gonzalez,Denise Brentan Silva,Denise Brentan Silva,Lucas Miranda Marques,Daniel P. Demarque,Egle Pociute,Ellis C. O’Neill,Enora Briand,Enora Briand,Eric J. N. Helfrich,Eve A. Granatosky,Evgenia Glukhov,Florian Ryffel,Hailey Houson,Hosein Mohimani,Jenan J. Kharbush,Yi Zeng,Julia A. Vorholt,Kenji L. Kurita,Pep Charusanti,Kerry L. McPhail,Kristian Fog Nielsen,Lisa Vuong,Maryam Elfeki,Matthew F. Traxler,Niclas Engene,Nobuhiro Koyama,Oliver B. Vining,Ralph S. Baric,Ricardo Pianta Rodrigues da Silva,Samantha J. Mascuch,Sophie Tomasi,Stefan Jenkins,Venkat R. Macherla,Thomas Hoffman,Vinayak Agarwal,Philip G. Williams,Jingqui Dai,Ram P. Neupane,Joshua R. Gurr,Andrés M. C. Rodríguez,Anne Lamsa,Chen Zhang,Kathleen Dorrestein,Brendan M. Duggan,Jehad Almaliti,Pierre-Marie Allard,Prasad Phapale,Louis-Félix Nothias,Theodore Alexandrov,Marc Litaudon,Jean-Luc Wolfender,Jennifer E. Kyle,Thomas O. Metz,Tyler Peryea,Dac-Trung Nguyen,Danielle VanLeer,Paul Shinn,Ajit Jadhav,Rolf Müller,Katrina M. Waters,Wenyuan Shi,Xueting Liu,Lixin Zhang,Rob Knight,Paul R. Jensen,Bernhard O. Palsson,Kit Pogliano,Roger G. Linington,Marcelino Gutiérrez,Norberto Peporine Lopes,William H. Gerwick,William H. Gerwick,Bradley S. Moore,Bradley S. Moore,Pieter C. Dorrestein,Pieter C. Dorrestein,Nuno Bandeira,Nuno Bandeira +135 more
TL;DR: In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations and data-driven social-networking should facilitate identification of spectra and foster collaborations.
Journal ArticleDOI
Searching molecular structure databases with tandem mass spectra using CSI:FingerID.
TL;DR: This work presents CSI:FingerID, which combines fragmentation tree computation and machine learning for searching molecular structure databases using tandem MS data of small molecules, and is shown to improve on the competing methods for computational metabolite identification by a considerable margin.
Journal ArticleDOI
Transcript and proteomic analysis of developing white lupin (Lupinus albus L.) roots
Li Tian,Gregory J. Peel,Zhentian Lei,Naveed Aziz,Xinbin Dai,Ji He,Bonnie S. Watson,Patrick X. Zhao,Lloyd W. Sumner,Richard A. Dixon +9 more
TL;DR: The combined EST and protein datasets will facilitate the understanding of white lupin's response to biotic and abiotic stresses and its utility for phytoremediation.
Journal ArticleDOI
Crocetin esters, picrocrocin and its related compounds present in Crocus sativus stigmas and Gardenia jasminoides fruits. Tentative identification of seven new compounds by LC-ESI-MS.
TL;DR: With the same chromatographic method it was possible to identify, in a single run, ten glycosidic compounds in saffron extracts with a UV/vis pattern similar to that of picrocrocin; among them, 5-hydroxy-7-dimethyl-4,5,6,7-tetrahydro-3H-isobenzofuranone 5-O-beta-D-gentibioside and 4-hydroxym