Unit:
Department of ChemistryLibrary of the School of Science
Author:
Damalas Dimitrios
Dissertation committee:
1. Δρ. Αντώνιος Καλοκαιρινός, Καθηγητής (Ομότιμος), Τμήμα Χημείας, ΕΚΠΑ
2. Δρ. Νικόλαος Σ. Θωμαΐδης, Καθηγητής, Τμήμα Χημείας, ΕΚΠΑ
3. Δρ. Δημήτρης Μπέης, Ερευνητής Β, ΙΙΒΕΑΑ
4. Δρ. Ευάγγελος Γκίκας, Καθηγητής, Τμήμα Χημείας, ΕΚΠΑ
5. Δρ. Ευάγγελος Μπακέας, Αναπληρωτής Καθηγητής, Τμήμα Χημείας, ΕΚΠΑ
6. Δρ. Αναστάσιος Οικονόμου, Καθηγητής, Τμήμα Χημείας, ΕΚΠΑ
7. Δρ. Χρήστος Κόκκινος, Επίκουρος Καθηγητής, Τμήμα Χημείας, ΕΚΠΑ
Original Title:
Assessment of the toxicity of xenobiotics in aquatic organisms through targeted and un-targeted metabolomics analysis, by the use of high-resolution mass spectrometry techniques
Translated title:
Assessment of the toxicity of xenobiotics in aquatic organisms through targeted and un-targeted metabolomics analysis, by the use of high-resolution mass spectrometry techniques
Summary:
Given the large number of emerging contaminants (ECs), there is an important gap in the literature concerning their adverse effects on aquatic organisms. The impact of xenobiotics in the aquatic ecosystem is evaluated in more depth when the whole xeno-metabolome (xenobiotics and their biotransformation products (bio-TPs)) and endo-metabolome (metabolites and lipids) of aquatic organisms is studied. The high complexity of environmental matrices and the huge number of xenobiotics and endogenous chemicals potentially present at low concentrations pose an analytical challenge. Therefore, the development of powerful analytical methods that provide extensive analytical evidence is crucial. Apart from the analytical platform, the establishment of comprehensive annotation workflows that utilize the analytical evidence to its maximum is imperative.
The overall objective of this thesis was to highlight a holistic approach for comprehensive xenometabolome and endo-metabolome coverage to facilitate toxicity assessment of aquatic organisms exposed to xenobiotics.
In this context, a high-end analytical platform (RPLC/HILIC-HRMS (Chapter 3) and LC-TIMS-HRMS (Chapter 4)) that combines multiple dimensions of separation with HRMS was developed, in order to provide extensive experimental evidence for the identification of bio-TPs and endogenous metabolites/lipids. A data treatment workflow, consisted of suspect and non-target screening approaches was established, combining different annotation tools for the identification of bio-TPs (Chapters 3 & 4). Moreover, wide-scope targeted and untargeted metabolomics workflows, consisted of sophisticated data-processing tools that would utilize 4-D data, were also developed (Chapter 5).
Main subject category:
Science
Keywords:
xenobiotics; zebrafish; HRMS; trapped ion mobility spectrometry; orthogonal identification; biotransformation; suspect screening; non target screening; wide-scope targeted metabolomics; untargeted metabolomics, toxicometabolomics
Number of references:
199
File:
File access is restricted until 2025-07-29.
PhD Thesis_D.E.Damalas_final.pdf
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File access is restricted until 2025-07-29.
Electronic Supplementary Material_D.E.Damalas_final.rar
6 MB
File access is restricted until 2025-07-29.
