Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	An integrated approach using UHPLC-PDA-HRMS and 2D HSQC NMR for the metabolic profiling of the red alga Laurencia: Dereplication and tracing of natural products Dedicated to the memory of Professor Constantinos Vagias.
Δημιουργός/Συγγραφέας:	Kokkotou K. Ioannou E. Nomikou M. Pitterl F. Vonaparti A. [EL] Σιάπη, Ελένη[EN] Siapi, Eleni [EL] Ζερβού, Μαρία[EN] Zervou, Maria Roussis V.
Εκδότης:	Elsevier Ltd
Ημερομηνία:	2014
Γλώσσα:	Αγγλικά
ISSN:	0031-9422
DOI:	10.1016/j.phytochem.2014.10.007
Άλλο:	PubMed ID: 25457502
Περίληψη:	The global metabolic profile of Laurencia crude red algal extracts was addressed by applying high-throughput analytical techniques, namely UHPLC-PDA-HRMS and 2D HSQC NMR. An integrated platform including software tools and databases, such as Xcalibur, ToxID, ACD/Labs and MarinLit, has been developed to mine the complex analytical data towards the accelerated identification of known metabolites and the detection of new natural products at the early stages of phytochemical analysis. In parallel, a searchable 'in-house' Laurencia-focused NMR database incorporating chemical structures, NMR spectroscopic data and reported biological activities has been generated. The screening strategy has been developed as a tool to prioritize the crude extracts to be further subjected to phytochemical analysis by tracing the presence of new natural products among the pool of known compounds. The successful application of this integrated methodology in the crude extract of Laurencia chondrioides led to the rapid detection of two new C15 bromoallene acetogenins (1 and 2), which were subsequently isolated and characterized.
Τίτλος πηγής δημοσίευσης:	Phytochemistry
Τόμος/Κεφάλαιο:	108
Σελίδες:	208-219
Θεματική Κατηγορία:	[EL] Φαρμακευτική χημεία[EN] Pharmaceutical chemistry
Λέξεις-Κλειδιά:	'in-house' Laurencia-focused NMR database 2D HSQC NMR C15 bromoallene acetogenins Chondrioallene Dereplication Laurencia Laurencia chondrioides Marilzallene B Rhodomelaceae UHPLC-PDA-HRMS
Αξιολόγηση από ομότιμους (peer reviewed):	Ναι
Κάτοχος πνευματικών δικαιωμάτων:	© 2014 Elsevier Ltd. All rights reserved.
Σημειώσεις:	245866; European Social Fund, ESF. This work was supported by the projects (a) GSRT-EPANII-09ΣYN-23-879 “ SysTerp ”, which is implemented under the “COOPERATION 2009” Action of the “OPERATIONAL PROGRAMME COMPETITIVENESS AND ENTREPRENEURSHIP” and is co-funded by the European Social Fund (ESF) and National Resources and (b) EU FP7 REGPOT-2009-1 project “ARCADE” (Grant Agreement No. 245866 ).
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο