Letno poročilo 2005

Laboratorij za kemometrijo
Laboratory of Chemometrics
kot je bilo predvideno `e v ~asu trajanja
projekta.
- Pod mentorstvom na{ih sodelavcev in v
sodelovanju s Fakulteto za kemijo in kemijsko
tehnologijo Univerze v Ljubljani je bilo v letu
2005 kon~ano diplomsko delo Viktorja
Drgana, Matemati~ni opis separacijskih
procesov na anionski hidroksid-selektivni
stacionarni fazi. Viktor Drgan se je po diplomi
vklju~il v skupino L03 kot mladi raziskovalec
in bo delal na podro~ju teoreti~nega in
eksperimentalnega raziskovanja ionske
kromatografije, tako izokratske kot gradientne
tehnike.
KRATEK OPIS DELA IN REZULTATOV
Na podro~ju QSAR raziskav smo nadaljevali delo
na motilcih `lez z notranjim izlo~anjem, za~eli
{tudijo o mehanizmu prenosa nekaterih
antioksidantov preko celi~ne membrane z
bilitranslokazo, ter raz{irili uporabo grafteoreti~nih
invariant v proteomiki in genomiki.
Projekt “Kemometrijska obdelava motilcev `lez
z notranjim izlo~anjem” smo zaklju~ili proti
koncu leta 2005 s skupnim delom treh
doktorskih {tudentk iz tujine (Italije in Nizozemske).
Zgradili smo modele na osnovi
protito~ne nevronske mre`e, ki zmorejo
napovedovati vezavne konstante razli~nih
spojin na estrogen receptor (ER) alfa in beta.
SLIKA:
Streptavidin kot gostitelj za koordinacijske komplekse,
vezane na biotin (∆-¢Ru(bpy) 2 (Biot-bpy)¥ 2+ (∆-1)).
Levo: biotiniziran koordinacijski kompleks. Desno:
dva kompleksa ugnezdena v dimero streptavidina.
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headquater in the Netherlands. The company
was established as a spin-off of a EU project
financed in the 5th Framework Programme;
our Laboratory was one of the partners in
this project. The company will promote, as
established already in the UE project, costeffective
chemical measurement practices by
making use of modern chemometric approaches
and develops procedures for adequate
assessment of the quality of methods
and measurement results.
- One diploma work was finished in 2005 under
the mentorship of our co-workers and in
collaboration with Faculty of Chemistry and
Chemical Technology of the University of
Ljubljana, Slovenia. The diploma thesis of
Viktor Drgan was “Mathematical description
of separation processes on anion hydroxideselective
stationary phase”. Viktor Drgan
joined our Laboratory as a young researcher
and will work in the field of theoretical and
experimental research of ion chromatography,
in isocratic as well as gradient technique.
SHORT DESCRIPTION OF RESEARCH AND
RESULTS
In QSAR research area we continued with the
endocrine disrupters studies, we began to study
the role of a membrane transmiter bilitranslocase
in bioavailability of some anti-oxi-
FIGURE:
Streptavidin as host for biotinylated coordination
complex (∆-¢Ru(bpy) 2 (Biot-bpy)¥ 2+ (∆-1)). Left:
biotinylated coordination complex. Right: two complexes
docked into a streptavidin dimere.