Παρακαλώ χρησιμοποιήστε αυτό το αναγνωριστικό για να παραπέμψετε ή να δημιουργήσετε σύνδεσμο προς αυτό το τεκμήριο: https://hdl.handle.net/10442/17417
Export to:   BibTeX  | EndNote  | RIS
Εξειδίκευση τύπου : Άρθρο σε επιστημονικό περιοδικό
Τίτλος: Post-acquisition spectral stitching. An alternative approach for data processing in untargeted metabolomics by UHPLC-ESI(−)-HRMS
Δημιουργός/Συγγραφέας: Baira E.
[EL] Σιάπη, Ελένη[EN] Siapi, Elenisemantics logo
[EL] Ζουμπουλάκης, Παναγιώτης[EN] Zoumpoulakis, Panagiotissemantics logo
Stelios G. D.
Skaltsounis A.-L.
Gikas E.
Εκδότης: Elsevier B.V.
Ημερομηνία: 2017
Γλώσσα: Αγγλικά
ISSN: 1570-0232
DOI: 10.1016/j.jchromb.2016.10.030
Άλλο: PubMed ID: 27825627
Περίληψη: Introduction In the case of the MS-based metabolomics, the large number of false positives remains a fundamental issue. Objective The aim of this study was to develop a new strategy, which highlights the number of the reliable features i.e. the detected features that correspond to a consistent peak according to chromatographic and mass spectrometric criteria. Method For the analysis blood samples from 20 chickens, which were administrated with naringin and 9 samples from control, were analyzed by UHPLC-HRMS (Orbitrap Velos). Two methodologies have been compared for data processing. In the first one (classical approach), all data in the 100–900 m/z mass-to charge range were included for the data processing procedure whereas for the newly developed methodology, the data were shred in 100 Da slices generating 8 datasets, which have been then subjected to the downstream MS data processing. Each dataset was treated separately and the m/z_tR features obtained by either VIP's or t-test values were merged and used as the input for the construction of the general model. Results The new methodology resulted to a 4-fold increase of the peaks that could be considered chromatographically and mass spectrometrically valid. Conclusion A new strategy was reported on the detection of chromatographically reliable features during a metabolomic approach. The shredding of the LC–MS chromatograms into multiple m/z ranges increased the number of the identified chromatographically reliable features.
Τίτλος πηγής δημοσίευσης: Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences
Τόμος/Κεφάλαιο: 1047
Σελίδες: 106-114
Θεματική Κατηγορία: [EL] Φαρμακευτική χημεία[EN] Pharmaceutical chemistrysemantics logo
[EL] Βιοχημεία[EN] Biochemistrysemantics logo
Λέξεις-Κλειδιά: MZmine
PCA
Permutation test
PLS-DA
t-test
VIPs
Αξιολόγηση από ομότιμους (peer reviewed): Ναι
Κάτοχος πνευματικών δικαιωμάτων: © 2016 Elsevier B.V.
Εμφανίζεται στις συλλογές:Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο

Αρχεία σε αυτό το τεκμήριο:
Το πλήρες κείμενο αυτού του τεκμηρίου δεν διατίθεται προς το παρόν από τον ΗΛΙΟ.