Application of retention time prediction models for suspect & non-target HRMS screening of emerging contaminants in the aquatic environment

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http://hdl.handle.net/10795/3088
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Author/Creator	Aalizadeh, Reza
Contributor	Monitor or Contractor: Thomaidis, N. S.
Licencee	Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών
Contractor	Εθνικό και Καποδιστριακό Πανεπιστήμιο Αθηνών. Τμήμα Χημείας. Εργαστήριο Αναλυτικής Χημείας
Source	14th International Conference on Environmental Science and Technology, CEST 2015 (Oral presentation)
Language	English
Date	2015
Extent	17 pages
Subject	water pollutant water treatment wastewater analytical chemistry
Keywords	Emerging contaminants, Aquatic environment, Computational workflow, Modeling,
Is Related to	QSRR models to support suspect high resolution mass spectrometric screening of emerging contaminants in environmental samples Extended suspect and non-target strategies to characterize emerging polar organic contaminants in raw wastewater with LC-HRMS/MS Non-target approach for the determination of novel micropollutants in wastewater using liquid chromatography quadrupole-time of flight mass spectrometry (LC-QTOF-MS) Suspect and non-target screening of organic micropollutants inwastewater through the development of a LC-HRMS based workflow PEAKTRAMS: An automated computational approach for the simultaneous detection of features in reverse phase and hilic hrms screening Automatic detection of concentration trends of organic pollutants in wastewater using computational approaches and chemometric tools on data acquired by LC-HRMS Predicting retention time for suspect & non-target HILIC-LC-HRMS screening of emerging contaminants in the aquatic environment Identification of unknowns in real wastewater through the application of a LC-QTOF-MS based workflow
Type	Text (Conference or workshop item (Presentation))
Project URL	http://tremepol.chem.uoa.gr/
Project Notes	ΕΣΠΑ 2007-2013 - Ε.Π. «ΕΚΠΑΙΔΕΥΣΗ ΚΑΙ ΔΙΑ ΒΙΟΥ ΜΑΘΗΣΗ» - ΔΡΑΣΗ «ΑΡΙΣΤΕΙΑ» - «Προϊόντα μετατροπής αναδυόμενων ρύπων στο υδατικό περιβάλλον» (Transformation products of emerging pollutants in the aquatic environment) - EE2: Ανάπτυξη μεθόδου μη στοχευμένης σάρωσης για την αναγνώριση άγνωστων προϊόντων μετατροπής αναδυόμενων ρύπων σε υγρά απόβλητα