Baira, E.

Deligeorgis, S-G.

Gikas, E.

Siapi, E.

Skaltsounis, A-L.

Zoumpoulakis, P.

Digital Repository of Hellenic Managing Authority of the Operational Programme &quot;Education and Lifelong Learning&quot; (EDULLL)

Πρόγραμμα Θαλής-«Αξιοποίηση Φυσικών Αντιοξειδωτικών στην Εκτροφή των Αγροτικών Ζώων για Παραγωγή Προϊόντων Ποιότητας»  1    Αξιοποίηση Φυσικών Αντιοξειδωτικών στην Εκτροφή των Αγροτικών Ζώων για Παραγωγή Προϊόντων Ποιότητας  Γεωπονικό Πανεπιστήμιο Αθηνών Εργαστήριο Ζωοτεχνίας   MIS 380231    Δράση 3η : Ποιότητα σφαγίου και  κρέατος ορνίθων       Παραδοτέα: D3_PUBL_4    A comparison study in the processing procedure of data from untargeted metabolomic approaches by UPLC-ESI(-)-HRMS  Υποβλήθηκε για παρουσίαση σε, μορφή poster, στο Mediterranean Sea Region Countries Mass Spectrometry Workshop (MEDMS III) που διοργανώθηκε από 28 Ιουνίου έως 2 Ιουλίου 2015 στην Αθήνα    Πρόγραμμα Θαλής-«Αξιοποίηση Φυσικών Αντιοξειδωτικών στην Εκτροφή των Αγροτικών Ζώων για Παραγωγή Προϊόντων Ποιότητας»  2    ABSTRACT A comparison study in the processing procedure of data from untargeted metabolomic approaches by UPLC-ESI(-)-HRMS Baira E1, Siapi E2, Zoumpoulakis P2, Deligeorgis S-G3, Skaltsounis A-L4, Gikas E1  1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis, 15771, Athens, Greece 2Institute of Biology, Medicinal Chemistry and Biotechnology, National Hellenic Research Foundation, 48 Vassileos Constantinou, 11635 Athens, Greece 3Department of Animal Breeding and Husbandry, Faculty of Animal Science and Aquaculture, Agricultural University of Athens, 75 Iera Odos, 11855, Athens, Greece 4Department of Pharmacognosy and Natural Products Chemistry, Faculty of Pharmacy, School of Health Sciences, National and Kapodistrian University of Athens, Panepistimiopolis, 15771, Athens, Greece   In the case of the MS-based metabolomics a fundamental problem is the large number of false positives. The aim of this study is to develop a new strategy, which highlights true positives by applying data processing in multiple narrow mass ranges instead over a wide mass range.  Blood samples from 20 chickens, which were administrated with Naringin in their nutrition and 9 samples from control, were analyzed by UPLC-HRMS (Orbitrap Velos).  Two methodologies have been applied for data processing. In the first one (classical approach), all data i.e in the 90-900 m/z were included in the data processing procedure. To the newly developed methodology, the data were shred in 100 Da slices generating 8 datasets, which has been subjected to the downstream MS data processing. Each dataset was treated as separate and mz/tR features obtained by either the VIP’s or the t-test values were used as input for the construction of the general model. Comparing the two methodologies, 34 true positives according to the t-test and 36 using the VIPs score in the slicing methodology were identified. These features were not detected in the 90-900 m/z analysis. A new workflow for a metabolomic data processing was developed. Slicing the LC/MS area using multiple narrow filters, increases the number of the identified true features since specific parameters were used is for each sliced area.           Πρόγραμμα Θαλής-«Αξιοποίηση Φυσικών Αντιοξειδωτικών στην Εκτροφή των Αγροτικών Ζώων για Παραγωγή Προϊόντων Ποιότητας»  3     Πρόγραμμα Θαλής-«Αξιοποίηση Φυσικών Αντιοξειδωτικών στην Εκτροφή των Αγροτικών Ζώων για Παραγωγή Προϊόντων Ποιότητας»  4       Η Επιτροπή Πιστοποίησης Παραδοτέων  Π. Σιμιτζής    Μ. Χαρισμιάδου   Π. Ζουμπουλάκης  Λέκτορας         Λέκτορας         Ερευνητής  

A comparison study in the processing procedure of data from untargeted metabolomic approaches by UPLC-ESI(-)-HRMS

http://repository.edulll.gr/edulll/bitstream/10795/2591/2/2591_D3_PUBL_4_poster_%ce%95%ce%99%ce%95_2.pdf

A comparison study in the processing procedure of data from untargeted metabolomic approaches by UPLC-ESI(-)-HRMS

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Digital Repository of Hellenic Managing Authority of the Operational Programme "Education and Lifelong Learning" (EDULLL)

A comparison study in the processing procedure of data from untargeted metabolomic approaches by UPLC-ESI(-)-HRMS

Abstract

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Digital Repository of Hellenic Managing Authority of the Operational Programme &quot;Education and Lifelong Learning&quot; (EDULLL)

Digital Repository of Hellenic Managing Authority of the Operational Programme "Education and Lifelong Learning" (EDULLL)