Unit:
Κατεύθυνση Έλεγχος Φαρμακευτικών Ενώσεων (Φαρμακευτική Ανάλυση)Library of the School of Science
Author:
Μουμουζάς Ιωάννης
Supervisors info:
Μικρός Εμ. Καθηγ.
Original Title:
Έλεγχος Anti Doping - Η μεταβονομική προσέγγιση
Summary:
The main problem, an analytical anti doping laboratory is called to overcome,
is the detection of newly discovered prohibited substances and methods which
could give an unfair advantage in sports. With the constant evolution of doping
techniques, the analytical laboratories are continuously called to face new
challenges. The metabonomic approach rises as an additional tool in the fight
against doping, allowing a holistic approach and not just a targeted analysis
of biological fluid samples. In the present thesis, techniques of nuclear
magnetic resonance (NMR) are applied in 263 urine samples of professional
athletes and the acquired spectra are processed in order to become a suitable
multivariate analysis background. The application of both non supervised (PCA)
and supervised (PLS-DA, OPLS-DA, ECVA and iECVA) methods, allowed for the
construction of metabolic imprints for doping “positive” and “negative”
athletes as well as for derivation of conclusions related to the
differentiation of the metabolic profiles. Based on data reduction methods, it
was observed that creatine (Cr) and creatinine (Crn) are the metabolites
accountable for the discrimination of two classes. Glycine as well as
acetoacetic acid, proved to be important but in a secondary level of influence.
Partial discrimination of both male and female athletes as well as common
statistical behavior of 5 female athlete samples containing the same prohibited
substance and being stored for the same amount of time, was revealed. Non data
reduction statistical methods confirmed the effect of creatine and creatinine
and additionally demonstrated an increase in the Cr/Crn ratio of positive
samples as well as a reduction of hippurate levels and an increase in acetic
acid levels of positive female athlete samples. Finally, the acquisition of 2D
NMR experiments and the study of the entire database of acquired spectra along
with network and bibliographic bases, allowed the identification of 59
metabolites.
Keywords:
NMR, Metabonomics, Doping, Multivariate, Analysis
Number of pages:
vii, 110
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