Letno poročilo 2005

Laboratorij za kemometrijo
Laboratory of Chemometrics
kompleksni kemometrijski obravnavi analiznih
rezultatov vodnih vzorcev (monitoringa
vodnjakov, povr{inskih voda itd.) in hrane
(jedilnega olja). Poudariti `elimo, da so v
ZZVMB na vzpodbudo, osnovano v okviru
na{e programske skupine, za~eli `e sredi leta
2005 spremljati prisotnost dolo~enih pesticidov
(metolaklora in njegovih razgradnih
produktov) v povr{inskih vodah. Metolachlor
je poznan kot selektivni herbicid, ki ga
uporabljajo za zatiranje dolo~enih vrst trave
in {irokolistnega plevela. Je zelo polarna
spojina, zato se hitro izpere s povr{ine v
podzemne vode. To je izjemno pomemben
projekt, saj je v ZDA metolaklor zaradi
njegovih {kodljivih lastnosti v okolju `e
prepovedan, medtem ko se v Evropi taka
direktiva {e pripravlja.
- Na podro~ju QSAR raziskav smo proti koncu
leta 2005 zaklju~ili evropski projekt z
naslovom “Kemometrijska obdelava spojin,
ki motijo delovanje `lez z notranjim izlo~anjem”.
V ~asu trajanja projekta je pri{lo k nam
na dodoktorsko izpopolnjevanje {est {tudentov
iz razli~nih evropskih dr`av za skupno
dobo 32 mesecev. Samo v letu 2005 smo
gostili dve {tudentki iz Italije in eno iz
Nizozemske.
- Leta 2005 smo za~eli aktivno izvajati raziskave
na evropskem projektu IBAAC, in sicer s
kemo-informacijskim prispevkom na podro~ju
iskanja in optimizacije katalizatorjev za
asimetri~no kemijsko sintezo. Ta projekt
poteka v okviru Marie Curie izobra`evalne
mre`e, v kateri so sredstva namenjena za
pla~ilo dela do- in podoktorskih {tudentov iz
tujine. Od 1. februarja 2005 je v tem projektu
vklju~en poljski podoktorski {tudent, ki je bil
prve tri mesece na treningu pri {vicarskem
partnerju IBAAC projekta, profesorju Thomasu
Wardu iz Univerze v Neuchatelu, [vica,
potem pa je delo nadaljeval v na{em
laboratoriju.
- V letu 2005 smo za~eli tudi delo na evropskem
projektu TRACE, ki obravnava sledljivost
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Maribor (IPHMB), we succeeded to establish
good collaboration. The results are shown in
several complex chemometrics analyses of the
data, i.e. water samples obtained from monitoring
of water wells, surface waters etc., and
food samples (oil). We would like to stress
that, on the initiative from our program
group, the IPHMB started in the middle of
the year 2005 with monitoring of certain
pesticides (metalachlor and degradation
products) in surface waters. Metolachlor is
known as a selective herbicide used to control
specific annual grasses and broadleaf
weed. It is highly polar and thus leachable
into the groundwater. This is a very important
project, because the use of metalachlor
in USA is already prohibited for its adverse
effects on environment and wildlife, while in
Europe similar directives are being prepared.
- In the QSAR field we finished the EU project
of “Chemometrical treatment of endocrine
disrupters”. In the whole financing period of
this project, we hosted six doctoral students
from several European countries, alltogerher
for 34 months. Only in 2005 there were two
students from Italy and one from the Netherlands.
- In 2005 we have started with the activities in
European project IBAAC. Our task is a chemoinformatics
research in the field of catalysts
design and optimization of reactivity parameters
for asymmetric chemical synthesis. This
project runs in the frame of Marie Curie Training
Networks in which the funding is available
for graduate and postgraduate students
from abroad. On February 1st 2005 a Polish
joung researcher joined us as a post-doctoral
fellow of IBAAC project. He spent first tree
months on training in the laboratory of a
Swiss partner of IBAAC project, professor
Thomas Ward from University of Neuchatel,
Switzerland. Now he is doing his research
work at our Laboratory.
- In the year 2005 we started also with new
EU project, TRACE, which is about the trace-