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Sproščanje formaldehida iz vrhunsko apretiranega materiala je za zdravje in varnost ljudi škodljivo zaradi morebitne kancerogenosti formaldehida. Natančnost standardne testne metode za določanje prostega formaldehida, Japan Law 112 je odvisna od vsebnosti formaldehida v vzorcu. Vsebnosti formaldehida pod 20 ▫$mu$▫g s to metodo ne moremo določiti. Zaznavanje nizkih vsebnosti formaldehida je pomembna predvsem na nekaterih področjih, kot so otroška oblačila, kjer bi lahko uporabili tekočinsko kromatografijo. Tekstilne substrate, obdelane z različnimi reagenti za zamreženje, smo ekstrahirali z vodo in prosti formaldehid določili z acetilacetonsko metodo. Rezultate, dobljene s standardno testno metodo, Japan Law 112, kjer smo uporabili UV/VIS spektrofotometer, smo primerjali z rezultati, dobljenimi s HPLC, kjer je separacija potekala na RP C 18 koloni in z vodo : $MeOH$ kot mobilno fazo. Meja detekcije in meja kvantitativne določitve je boljša z uporabo HPLC metode. Koncentracijsko območje pri HPLC metodi je od 0.3 ▫$mu$▫g do 30 ▫$mu$▫/g. Release of formaldehyde from durable press treated fabrics is a problem for human health and safety because formaldehyde is suspected to be carcinogen. The accuracy of the standard test method for the free formaldehyde determination, Japan Law 112, depends on the formaldehyde content of the sample. The formaldehyde contents below 20 ▫$mu$▫g can not be shown to be caused by formaldehyde. The detection of low formaldehyde contents is important particularly in some fields, like children clothing, so the high performance liquid chromatography was used. With different crosslinking reagents finished textile substrates were extracted with water to detect the free formaldehyde by an acetylacetone method. The results obtained by the standard test method, Japan Law 112, where UV/Vis spectrometer was used, were compared with the results obtained by HPLC method where separation was performed on RP C 18 column with water/$MeOH$ as a mobile phase. It was shown that the detection limit and limit of quantification were improved using HPLC method. Concentration range obtained by HPLC method is from 0.3 ▫$mu$▫g to 30 ▫$mu$▫/g.

Odpadne vode iz tekstilne industrije, ki nastajajo pri plemenitenju tekstilnih materialov, so zaradi svoje obarvanosti in heterogene sestave tako estetski kot tudi ekološki problem. V članku je opisan evropski projekt ADOPBIO, ki ponuja alternativno rešitev čiščenja teh odpadnih voda. Namen projekta ADOPBIO je razviti in ponuditi rešitev čiščenja in recikliranja odpadne vode iz tekstilne plemenitilne industrije. Cilj projekta je razviti metodo, ki zagotavlja popolno razbarvanje in 75-odstotno recikliranje odpadne vode iz plemenitilnic. ADOPBIO združuje dve najboljši razpoložljivi tehniki za čiščenje odpadne vode: tehniko AOP z bioflotacijo. Ta kombinacija metod čiščenja odpadnih voda iz tekstilne industrije do začetka projekta še ni bila preizkušena. Vloga Oddelka za tekstilne materiale in oblikovanje pri tem projektu je bila raziskati in proučiti možnost razbarvanja odpadnih voda iz dveh sodelujočih tekstilnih podjetij z naprednima oksidacijskima postopkoma: s postopkom, pri katerem aktiviramo $H_2O_2$ termično ob prisotnosti katalizatorja, in s postopkom, kjer aktiviramo $H_2O_2$ z UV žarki. Z obdelavo termo/$H_2O_2$/katalizator, ki ji je sledila obdelava UV/$H_2O_2$, smo za odpadne vode iz podjetja TSP v povprečju dosegli 70-odstotno razbarvanje, za odpadne vode iz podjetja Blondel pa 87-odstotno razbarvanje. Due to its intense coloration and heterogeneous composition, textile finishing wastewaters represent an aesthetic and an ecological problem. In this paper the European project ADOPBIO, which offers an alternative solution for textile wastewater treatment, is presented. The objective of ADOPBIO project is to develop a solution for treatment and recycling of textile finishing wastewater. The aim of the project is to develop a method that would enable total decoloration and 75% wastewater recycling. The ADOPBIO project comprises two optimal treatment techniques: AOP and bioflotation. The combination of both techniques has not been tested as yet. The role of the Department of Textile Materials and Design (University of Maribor) in this project was to investigate the possibilities of textile wastewater decoloration by using thermally activated $H_2O_2$ in presence of catalyst and UV activated $H_2O_2$. Textile wastewater used in the study was obtained from two companies: TSP and Blondel. By using the thermal/$H_2O_2$/catalyst process followed by the UV/$H_2O_2$ process a 70% decoloration of wastewater from TSP and 87% decoloration of Blondel wastewater was achieved.

The LC-MS/MS method for determination of the anti-epileptic drug topiramate (TPM) in human plasma was developed and validated for pharmacokinetic and bioequivalence study purposes. For quantitative determination of TPM values the method with deuterated internal standard (topiramate-d12) and liquid chromatography with tandem mass spectrometry was used. TPM was extracted from the human plasma using the solid-phase extraction procedure on a Strata X extraction column. Negative ions were monitored in the selected reaction monitoring mode (SRM) and transitions m/z 338.2 > 78.2 and m/z 350.3 > 78.2 were used for the quantitative evaluation of TPM and the internal standard, respectively. The results obtained from validation were statistically evaluated according to the requirements of European Medicines Agency (EMA) and Food and Drug Administration (FDA) regulatory guidelines. The linearity of the method was checked within a concentration range from 10 to 2000 ng/mL. Successful validation confirmed that this method is precise, accurate, sensitive and therefore suitable for determination of topiramate plasma levels in pharmacokinetic and bioequivalence studies. Razvili in validirali smo LC-MS/MS metodo za določevanje antiepileptičnega zdravila topiramat (TPM) v humani plazmi za namene študij farmakokinetike in bioekvivalence. Za kvantitativno določitev smo uporabili metodo devteriranega internega standarda (topiramat-d12) in tekočinsko kromatografijo s tandemsko masno spektrometrijo. Učinkovino TPM smo ekstrahirali iz humane plazme z ekstrakcijo na trdnem nosilcu na Strata X ekstrakcijskih kolonah. Spojine smo ionizirali z elektrorazprševanjem in merjenjem negativnih ionov, spremljali smo SRM prehoda 338,2 > 78,2 za TPM in 350,3 > 78,2 za interni standard. Rezultate vsebnosti topiramata smo statistično ovrednotili v skladu z zahtevami EMA regulative in FDA smernicami. Linearnost metode smo preverili v koncentracijskem območju od 10 do 2000 ng/ml. Uspešni rezultati testov so pokazali, da je razvita metoda natančna, točna in občutljiva ter primerna za določanje topiramata v humani plazmi v študijah farmakokinetike in bioekvivalence.

A sensitive, specific and rapid liquid chromatography - tandem mass spectrometry method was developed and validated for the determination of candesartan in human plasma. Analyte was separated from endogenous components present in plasma by solid phase extraction. Chromatographic separation was performed on Gemini C18 analytical column using mobile phase acetonitrile – 5 mM ammonium formate pH 2 (90:10, v/v) at flow rate of 0.3 mL/min. For detection, tandem mass spectrometry in SRM mode with positive electrospray ionization was used. The mass transitions m/z 441.1 > 263.1 and 445.1 > 267.1 were used to determine candesartan by using candesartan-d4 as an internal standard. After development, the method was validated according to the requirements of EMA regulatory guidelines in the concentration range 1 - 400 ng/ml in human plasma. Limit of quantification (LLOQ) was 1 ng/ml. The developed and validated method proved to be very fast and reproducible and was therefore successfully implemented in pharmacokinetic and bioequivalence studies with large number of study samples. Za določevanje kandesartana v humani plazmi smo razvili in validirali LC-MS/MS metodo in dokazali, da je selektivna, občutljiva in ponovljiva. Za pripravo plazemskih vzorcev smo uporabili ekstrakcijo na trdni fazi. Za kromatografsko separacijo smo uporabili kolono Gemini C18 z mobilno fazo acetonitril – 5 mM amonijev formiat (90:10, v/v) pri pretoku 0,3 ml/min. Za detekcijo smo uporabili tandemsko masno spektrometrijo v SRM načinu z uporabo pozitivne ionizacije z elektro razprševanjem. Uporabljeni so bili masni prehodi: za kandesartan m/z 443,1 > 263,1 in za kandesartan-d4 kot interni standard 445,5 > 267,1. Po končanem razvoju smo metodo validirali v koncentracijskem območju 1–400 ng/ml v vzorcih humane plazme. Spodnja meja kvantitativne določitve je bila 1 ng/ml. Razvita in validirana metoda se je izkazala za zelo učinkovito pri farmakokinetičnih študijah.

Mathematical modelling of a multi-component titration system of hydrolytic titrations of metal ions is described. A comparison of the calculated and experimental titration curves and end volumes in the Ca2+ -F- system at different pH values of titrated solutions is presented. The determination of the end-point of titrations by several approximation and mathematical methods is described. Opisan je matematički model višekomponentnoga sustava hidroliznih potenciometrijskih titracija. Prikazana je usporedba izračunanih eksperimentalnih titracijskih krivulja te završnih volumena u sustavu Ca2 + — F- pri različitim početnim vrijednostima pH titriranih otopina. Opisano je računanje završne točke titracije različitim aproksimativnim računskim metodama.

Chemical composition of Slovenian coal has been characterised in terms of proximate and ultimate analyses and the relations among the chemical descriptors and the higher heating value (HHV) examined using correlation analysis and multivariate data analysis methods. The proximate analysis descriptors were used to predict HHV using multiple linear regression (MLR) and artificial neural network (ANN) methods. An attempt has been made to select the model with the optimal number of predictor variables. According to the adjusted multiple coefficient of determination in the MLR model, and alternatively, according to sensitivity analysis in ANN developing, two descriptors were evaluated by both methods as optimal predictors: fixed carbonand volatile matter. The performances of MLR and ANN when modelling HHV were comparable the mean relative difference between the actual and calculated HHV values in the training data was 1.11% for MLR and 0.91% for ANN. The predictive ability of the models was evaluated by an external validation data set the mean relative difference between the actual and predicted HHV values was 1.39% in MLR and 1.47% in ANN. Thus, the developed models could be appropriately used to calculate HHV.

The determination of the sensorial quality of wines is of great interest for wine consumers and producers since it declares the quality in most of the cases. The sensorial assays carried out by a group of experts are time-consuming and expensive especially when dealing with large batches of wines. Therefore, an attempt was made to assess the possibility of estimating the wine sensorial quality with using routinely measured chemical descriptors as predictors. For this purpose, 131 Slovenian red wine samples of different varieties and years of production were analysed and correlation and principal component analysis were applied to find inter-relations between the studied oenological descriptors. The method of artificial neural networks (ANNs) was utilised as the prediction tool for estimating overall sensorial quality of red wines. Each model was rigorously validated and sensitivity analysis was applied as a method for selecting the most important predictors. Consequently, acceptable results were obtained, when data representing only one year of production were included in the analysis. In this case, the coefficient of determination (R2) associated with training data was 0.95 and that for validation data was 0.90. When estimating sensorial quality in categorical form, 94 % and 85 % of correctly classified samples were achieved for training and validation subset, respectively.

The quality of ground water as a source of drinking water in Slovenia is regularly monitored. One of the monitoring programmes is performed on 5 wells for drinking water supply, 3 industrial wells and 2 ground water monitoring wells. Two hundred and fourteen samples of ground waters were analysed in the time 2003-2004. Samples were gathered from ten different sampling sites and physical chemical measurements were performed. The following 13 physical chemical parameters were regularly controlled: temperature, pH, conductivity, nitrate, AOX (adsorbable organic halogens), metals such as chromium, pesticides (desethyl atrazine, atrazine and 2,6-dichlorobenzamide), highly-volatile halogenated hydrocarbons (trichlorometane, 1,1,2,2-tetrachloroethene and 1,1,2-trichloroethene). For handling the results different chemometrics methods were employed, such as basic statistical methods for the determination of mean and median values, standard deviations, minimal and maximal values of measured parameters and their mutual correlation coefficients, cluster analysis (CA), the principal component analysis (PCA), the clustering method based on Kohonen neural network, and linear discriminant analysis (LDA). The study gives the opportunity to follow the quality of ground waters at different sampling sites within the defined time period. Monitoring of general pollution of ground waters and following measuring can be used to search the pollution source, to plan prevention measures and to protect from pollution, as well. V Sloveniji spremljamo kakovost podzemne vode na številnih mestih, saj je podzemna voda pomemben vir pitne vode. Kot vir podatkov za kemometrično obdelavo smo izbrali monitoring v katerem je vključeno 5 vodnjakov, ki so namenjeni za oskrbo s pitno vodo, 3 industrijski vodnjaki in 2 kontrolni vrtini. Opravili smo analizo 214 vzorcev podzemnih vod v letih 2003 in 2004. Vzorce smo odvzeli na omenjenih desetih merilnih mestih in opravili fizikalne in kemijske analize. Fizikalno kemijske preiskave vključujejo merjenje naslednjih 13 parametrov, ki so podlaga za oceno kemijskega stanja podzemnih vod: pH vrednost, temperatura vode, električna prevodnost, vsebnost nitrata, vsebnost adsorbljivih organskih halogenov (AOX), vsebnost Cr(VI) in skupnega kroma, vsebnost pesticidov kot so desetil atrazin, atrazin in 2,6-diklorobenzamid, ter vsebnost halogeniranih ogljikovodikov kot so triklorometan, 1,1,2,2-tetrakloroeten in 1,1,2-trikloroeten. Za obdelavo rezultatov meritev smo uporabili različne kemometrične metode, osnovne statistične metode za določitev povprečne vrednosti in mediane, standardnih odmikov, minimalnih in maksimalnih vrednosti merjenih parametrov in njihovih medsebojnih korelacijskih koeficientov, analizo grup (CA), metodo glavnih osi (PCA), metodo grupiranja, ki temelji na Kohonenovih nevronskih mrežah in metodo linearne diskriminantne analize (LDA). Z metodo glavnih osi in s Kohonenovimi nevronskimi mrežami smo poizkusili poiskati podobnosti med posameznimi merilnimi mesti. Študija daje možnost, da sledimo kakovost podzemne vode na posameznih merilnih mestih in v določenem časovnem obdobju. Časovno sleditev splošnega onesnaženja podzemnih vod ter rezultatov posameznih merjenih parametrov, ki presegajo dovoljene meje, lahko uporabimo za iskanje vzrokov onesnaženja in za načrtovanje preventivnih ukrepov za zaščito pred onesnaženjem.

A gas chromatographic-mass spectrometric (GC-MS) method for the simultaneous identification and quantification of seven major phenolic and terpenic compounds in Rosmarinus officinalis L. was developed. The compounds were identified as trimethylsilyl (TMS) derivatives of phenolic acids (caffeic and rosmarinic acid), phenolic diterpene (carnosic acid), and pentacyclic triterpenes (ursolic, oleanolic, betulinic acid and betulin). These compounds have been identified by retention time and comparison of mass spectra. The procedure involves ultrasonic extraction using solvent mixture of tetrahydrofuran and ethanol. Extracts were fractionated by size exclusion chromatography (SEC) after purifying on graphitised carbon. The fraction with phenolic and terpenic compounds was derivatised prior to GC-MS analysis using N-methyl-N-trimethylsilyl trifluoroacetamide (MSTFA) as a derivatisation reagent. The derivatisation process was optimized regarding temperature and reaction time. The linearity of the method was tested in concentration range 4-25 mg L$^{–1}$. The correlation coefficients ($r^2$) were in the range of 0.997 to 0.999. The average recoveries for all compounds ranged from 80 to 82%. The GC-MS technique is specific and sensitive, and can be used for simultaneous identification and determination of a wide range of phenolic and terpenic compounds in different plants even at trace levels. Razvili smo metodo za sočasno identifikacijo in kvantitativno določitev sedmih fenolnih in terpenskih spojin v rožmarinu (Rosmarinus officinalis L) s plinsko kromatografijo in masno spektrometrijo (GC-MS). Spojine smo identificirali kot trimetilsilil (TMS) derivate fenolnih kislin (kofeinske in rožmarinske kisline), fenolnega diterpena (karnozolne kisline) in pentacikličnih triterpenov (ursolne, oleanolne, betulinske kisline in betulina). Naštete spojine so bile potrjene s primerjavo retencijskih časov in masnih spektrov derivatov preiskovanih spojin. Metoda vključuje ultrazvočno ekstrakcijo preiskovanih spojin z mešanico topil tetrahidrofuran in etanol. Ekstrakte smo po čiščenju na aktivnem oglju, frakcionirali z velikostno izkjučitveno kromatografijo. Frakcijo, ki je vsebovala fenolne in terpenske spojine, smo pred GC- MS analizo derivatizirali z N-metil-N-trimetilsilil trifluoroacetamidom (MSTFA). Postopek derivatizacije smo optimirali glede na čas reakcije in temperaturo. Linearnost metode smo preverili v koncentracijskem območju 4–25 mg L$^{–1}$. Povprečni izkoristki za preiskovane spojine so bili med 80 to 82 %, korelacijski koeficienti ($r^2$) so bili med 0,997 in 0,999. GC-MS tehnika je specifična in občutljiva, omogoča dobro ločevanje spojin in je zato primerna za sočasno identifikacijo in določevanje širokega spektra fenolnih in terpenskih spojin v različnih rastlinah, tudi ko so spojine prisotne v sledovih.

Fifty samples of natural mineral waters from springs in Slovenia, Hungary, Germany, Czech Republic and further countries of former Yugoslavia have been analysed. The mass concentration of cations ($Na^+$, $K^+$, $Ca^{2+}$, $Mg^{2+}$, $Fe^{2+}$, $Mn^{2+}$, $NH^+_4$) and anions ($F^-$, $Cl^-$, $I^-$, $NO^-_3$, $SO_4^{2-}$, $HCO_3^-$), the spring temperature, pH, conductivity and carbon dioxide mass concentration have been measured using standard analytical methods. Appropriate statistical methods and different chemometric tools were used to evaluate the obtained data, namely, (i) descriptive statistics, (ii) principal component analysis (PCA), (iii) cluster analysis, and (iv) linear discriminant analysis (LDA). It was confirmed that Slovenian natural mineral water samples differ most from the German ones but are relatively similar to the Czech and Hungarian ones. Water samples from Hungary are similar to waters from the eastern part of Slovenia. Analizirali smo petdeset vzorcev naravne mineralne vode iz izvirov v Sloveniji, na Madžarskem, v Nemčiji, Češki republiki in državah bivše Jugoslavije. Masne koncentracije kationov ($Na^+$, $K^+$, $Ca^{2+}$, $Mg^{2+}$, $Fe^{2+}$, $Mn^{2+}$, $NH^+_4$) in anionov ($F^-$, $Cl^-$, $I^-$, $NO^-_3$, $SO_4^{2-}$, $HCO_3^-$), temperaturo izvira, pH, prevodnost in masno koncentracijo ogljikovega dioksida smo določili z uporabo standardnih analiznih metod. Uporabili smo primerne statistične in kemometrijske metode za evalvacijo podatkov: (i) opisno statistiko, (ii) analizo glavnih komponent (PCA), (iii) analizo klastrov in (iv) linearno diskriminantno analizo (LDA). Potrdili smo, da se slovenske mineralne vode razlikujejo predvsem od nemških in da so sorazmerno podobne češkim in madžarskim. Vzorci vode iz Madžarske so podobni tistim iz vzhodne Slovenije.

Determination of the product's origin is one of the primary requirements when certifying a wine's authenticity. Significant research has described the possibilities of predicting a wine's origin using efficient methods of wine components' analyses connected with multivariate data analysis. The main goal of this study was to examine the discrimination ability of simple enological descriptors for the classification of Slovenian red and white wine samples according to their varieties and geographical origins. Another task was to investigate the inter-relations available among descriptors such as relative density, content of total acids, non-volatile acids and volatile acids, ash, reducing sugars, sugar-free extract, $SO_2$, ethanol, pH, and an important additional variable - the sensorial quality of the wine, using correlation analysis, principal component analysis (PCA), and cluster analysis (CLU). 739 red and white wine samples were scanned on a Wine Scan FT 120, from wave numbers 926 $cm^{–1}$ to 5012 $cm^{–1}$. The applied methods of linear discriminant analysis (LDA), general discriminant analysis (GDA), and artificial neural networks (ANN), demonstrated their power for authentication purposes. Določevanje izvora je ena od osnovnih zahtev, ko želimo certificirati pristnost vin. Raziskava opisuje možnosti napovedovanja izvora vin z uporabo učinkovitih metod analize parametrov vin in multivariantno analizo. Glavni namen študije je proučevanje možnosti razlikovanja enostavnih enoloških deskriptorjev za klasifikacijo vzorcev slovenskih rdečih in belih vin glede na vrsto in geografski izvor. Drugi cilj je bil proučevanje razmerij med deskriptorji, kot so: relativna gostota, vsebnost skupnih kislin, nehlapne kisline, hlapne kisline, pepel, reducirajoči sladkor, prosti sladkor, $SO_2$, etanol, pH in med pomembnimi dodatnimi spremenljivkami, kot je senzorična kakovost vina z uporabo korelacijske analize, metode glavnih osi (PCA) in analizo grupiranja podatkov (CLU). 739 vzorcev rdečih in belih vin je bilo posnetih na aparatu Wine Scan FT 120, od valovnega števila 926 $cm^{–1}$ do 5012 $cm^{–1}$. Uporabljene metode linearne diskriminantne analize (LDA), splošne diskriminantne analize (GDA) in umetnih nevronskih mrež (ANN) potrjujejo sposobnost določanja pristnosti vin.

Considerable levels of highly toxic polychlorinated dibenzo-p-dioxins (PCCDs) and polychlorinated dibenzofurans (PCDFs) were determined in two among the sixanalysed disperse textile dyes. The dioxin homologue profile of these dyes was similar to that found in some environmental and industrial samples, connected with the textile industry. Dyes contaminated with dioxins were further used in industrial polyester dyeing processes at laboratory scale. We observed the changes in dioxin contents, dioxin transformations and their distribution during the textile dyeing process. After the dyeing and textile finishing processes the content of dioxins was up to fifteen times higher. More than 85% of the total dioxin content was found in dyed polyester. Other 15% was discharged with waste dye bath. Our results confirmed that the presence of dioxins in some textile dyes may be a significant source regardinghuman exposure and environmental contamination. Dioksine predstavljata skupini toksičnih obstojnih spojin polikloriranih dibenzo-p-dioksinov in polikloriranih dibenzofuranov. V okviru naših raziskav smo preverili prisotnost dioksinov v tekstilnih barvilih. Analizirali smo šest vzorcev tekstilnih barvil. V dveh vzorcih tekstilnih disperznih barvil smo določili znatne vsebnosti dioksinov. Porazdelitev dioksinov v teh vzorcih barvil je podobna porazdelitvi dioksinov določeni v nekaterih vzorcih povezanih s tekstilno industrijo. Barvila, ki vsebujejo dioksine smo uporabili v poizkusih barvanja in spremljali spremembe v porazdelitvi in koncentraciji dioksinov skozi postopek barvanja. Masna bilanca dioksinov v postopku barvanja pokaže povečanje vsebnosti dioksinov, medtem ko ostaja njihova porazdelitev nespremenjena. Pri barvanju pri visokih temperaturah in v alkalnem mediju nastajajo dioksini iz prekurzorskih (predhodnih) spojin. Več kot 85% celotne vsebnosti dioksinov smo določili v vzorcih obarvanega poliestra. Preostalih 15% smo določili v odpadni barvalni kopeli. Rezultati raziskav dokazujejo, da prisotnost dioksinov v nekaterih tekstilnih barvilih predstavlja znaten doprinos k vsebnosti teh spojin v širšem okolju.

A GC-MS method was successfully applied to measure simultaneously the concentrations of endocrine disrupting compounds (5 dialkyl phthalates, 9 phthalate monoesters, 3 alkylphenols and bisphenol A) in 136 male urine samples. In the present study the method was validated and concentrations of EDCs were determined. The results were compared with results from other studies. Correlations between endocrine disrupting compounds and also correlations of endocrine disrupting compounds with two semen quality parameters are presented and evaluated. Significant positive correlations were found between almost all the endocrine disrupting compounds. The parameter sum of DEHP (SUM DEHP) was positively correlated to all the endocrine disrupting compounds but negatively to two semen quality parameters. Negative correlations between the endocrine disrupting compounds and the semen quality parameters could indicate that endocrine disrupting compounds could cause reproductive problems by decreasing the semen count and quality. This research will have helped to evaluate human exposure to endocrine disrupting compounds.

Determination of the product's origin is one of the primary requirements when certifying a wine's authenticity. Significant research has described the possibilities of predicting a wine's origin using efficient methods of wine components' analyses connected with multivariate data analysis. The main goal of this study was to examine the discrimination ability of simple enological descriptors for the classification of Slovenian red and white wine samples according to their varieties and geographical origins. Another task was to investigate the inter-relations available among descriptors such as relative density, content of total acids, non-volatile acids and volatile acids, ash, reducing sugars, sugar-free extract, SO2, ethanol, pH, and an important additional variable - the sensorial quality of the wine, using correlation analysis, principal component analysis (PCA), and cluster analysis (CLU). 739 red and white wine samples were scanned on a Wine Scan FT 120, from wave numbers 926 cm-1 to 5012 cm-1. The applied methods of linear discriminant analysis (LDA), general discriminant analysis (GDA), and artificial neural networks (ANN), demonstrated their power for authentication purposes.

Nonylphenols (NP) possess estrogenic activities and may cause increased risk of cancerous and reproductive abnormalities in several living organisms. Despite their harmful nature, NPs are used as additives in food packaging material, especially plastic, which is the main food contact material in today's packaging landscape. According to the fact that food packaging is one of the major potential food contaminant sources regarding NPs, there is a need for more information on identifying and quantifying of these chemicals when migrating into food. Seventeen plastic films for food packaging were analyzed for the presence of NPs nine of them were plastic films for deep freeze food packaging. We determined and quantified NPs by Gas Chromatography-Mass Spectrometry (GC-MS) using the internal standard method. All plastic films for deep freeze food packaging contained NPs within a concentration range from 11.9 to 43.7 mg/kg. We also studied the migration of NPs from three of the plastic films for deep freeze food packaging into food simulants. The migration of NPs from these plastic films into 95% ethanol and 10% ethanol was higher than the amount migrating into distilled water or 3% acetic acid. Nonilfenole (NP) uvrščamo med motilce delovanja endokrinega hormonskega sistema. Zaradi posnemanja delovanja naravnih hormonov lahko povzročijo povečano tveganje nastanka raka in reproduktivne nepravilnosti v živih organizmih. Kljub neugodnim lastnostim, se kot dodatki uporabljajo v embalažah za živila, predvsem v plastičnih folijah. Embalaža za živila je lahko eden izmed glavnih izvorov NP v živilih. Zato so podatki o vsebnosti NP v embalaži in predvsem podatki o prehajanju NP v hrano zelo pomembni. Prisotnost NP smo preverili v sedemnajstih plastičnih folijah, ki se uporabljajo za embalažo živil. Devet izmed vzorcev je bilo plastičnih folij, ki se uporabljajo za hranjenje globoko zamrznjene hrane. Vsebnost NP smo določili s plinsko kromatografijo v povezavi z masno spektrometrijo (GC-MS) z metodo internega standarda. V vseh preiskovanih folijah, ki se uporabljajo za embalažo zamrznjene hrane smo zaznali NP v koncentracijskem območju od 11,9 mg/kg do 43,7 mg/kg folije. Z migracijskimi poskusi smo preverili prehod NP iz treh plastičnih folij v modelne raztopine. V modelni vodni raztopini z 95 % in 10 % etanola je migrirala večja količina NP kakor v samo destilirano vodo ali v modelno vodno raztopino z 3 % ocetne kisline.

The investigation presented here aims to compare the fatty acid composition of red blood cells of patients with different disease states and to test the hypothesis that the changes in fatty acid profiles derived from erythrocyte phospholipids might be relevant to various diseases. The study sample consisted of 342 blood donors, among them 135 with inflammatory bowel disease, 53 with uterine leiomyoma, 14 with verified absence of uterine leiomyoma, 52 with asthma, 18 with colon adenomas, and 70 blood samples without any of mentioned diseases that was used as a control group. After the isolation of erythrocytes from blood samples, total extracted lipids were separated by solid-phase extraction (SPE) into non polar lipids and polar phospholipids. After the saponification of phospholipid fraction, the esterification process followed with boron trifluoride-methanol reagent. The fatty acid methyl ester (FAME) composition of the total red blood cell phospholipid fraction was analyzed by gas chromatography (GC) with flame ionization detector (FID). Additionally two fatty aldehyde dimethyl acetals (hexadecanal and octadecanal dimethyl acetals 16:0 DMA and 18:0 DMA) derived from erythrocyte membrane plasmalogen phospholipids were also determined. The resulting fatty acid and plasmalogen linked fatty acid composition was evaluated by the principal component analysis (PCA). We demonstrated decreased levels of omega-3 polyunsaturated fatty acids (n-3 PUFAs) in red blood cell membrane of patients with colon adenomas. Also, a large negative correlation was observed among all samples between the quantity of saturated acids and arachidonic (20:4n6) acid as well as saturated acids and adrenic (22:4n6) acid. In PCA score plot a group of female donors is distinguished mainly by the content of linoleic (18:2n6) acid a small subgroup shows its concentration highly above the average value. At the same time, the same subgroup has both dimethyl acetals below the average concentrations. The study demonstrates feasibility of multivariate data analysis in discrimination of patients with different diseases according to fatty acid profile and suggests considerable differences in membrane fatty acid profiles in patients with various disease states. V prispevku je predstavljena študija primerjave sestave maščobnih kislin iz fosfolipidov človeških membran rdečih krvnih celic bolnikov z izbranimi bolezenskimi stanji z namenom testiranja hipoteze, da je sprememba v sestavi lahko povezana z različnimi boleznimi. V študijo je bilo vključenih 342 posameznikov, od tega 135 bolnikov s kronično vnetno črevesno boleznijo, 53 bolnic z miomi maternice in 14 žensk dokazano brez miomov maternice, nadalje 52 bolnikov z astmo, 18 bolnikov s črevesnimi polipi in 70 zdravih posameznikov (krvodajalcev), ki so služili kot kontrolna skupina. Izolaciji rdečih krvnih celic je sledilo ločevanje celokupnih ekstrahiranih lipidov z ekstrakcijo na trdni fazi (SPE) na nepolarne in polarne lipide. Po umiljenju fosfolipidne frakcije je sledila esterifikacija z bor trifluorid metanolnim reagentom. Sestavo metil estrov maščobnih kislin skupne fosfolipidne frakcije rdečih krvnih celic smo določali s plinsko kromatografijo s plamensko ionizacijskim detektorjem. Dodatno smo iz membran rdečih krvnih celic fosfolipidnih plazmalogenov določili tudi dva dimetil acetala (heksadekanal in oktadekanal dimetil acetal 16:0 DMA in 18:0 DMA). Z metodo glavnih osi smo karakterizirali vzorce glede na sestavo maščobnih kislin in dimetil acetalov, povezanih s plazmalogeni. Ugotovili smo zelo nizke vsebnosti omega-3 polinenasičenih maščobnih kislin v celičnih membranah rdečih krvnih celic pri pacientih s črevesnimi polipi. Velik negativni korelacijski koeficient je bil ugotovljen med vsebnostjo nasičenih maščobnih kislin in arahidonsko (20:4n6) kislino in med vsebnostjo nasičenih maščobnih kislin in adrensko (22:4n6) kislino. Metoda glavnih osi je pokazala manjšo izstopajočo skupino pacientov ženskega spola z različnim bolezenskim fenotipom, ki se je ločila glede na vsebnost linolne (18:2n6) kisline, ki je bila pri tej podskupini precej nad povprečno vrednostjo vseh 342 vzorcev. Študija je pokazala, da obstajajo razlike v sestavi maščobnih kislin rdečih krvnih celic pri pacientih z različnimi boleznimi.

The ways of application of multivariate data analysis and ANOVA to classification of white varietal wines are here demonstrated. Wine classification was performed using the following classification criteria: winevariety, year of production, wine producer, and wine quality, as found by sensorial testing (bouquet, colour, and taste). Subjective wine evaluation, made by wine experts, is combined with commonly used chemical and physico-chemical properties, measured in analytical laboratory. Importance of the measured variables was determined by principal component analysis and confirmed by analysis of variance. Linear discriminant analysis enabled not only a very successful wine classification but also prediction of the wine category for unknown samples. The wine categories were set up either by three wine varieties, or two vintages, wine producers two or three wine categories established by wine quality reflected either total points obtained in sensorial evaluation or the points obtained for a particular quality descriptor like colour, taste and bouquet. Prikazali smo načine uporabe analize večdimenzionalnih podatkov in ANOVE pri klasifikaciji vin belih vrst. Klasifikacijo smo izvedli z uporabo več klasifikacijskih kriterijev, ki so vrsta vina, letnik, proizvajalec in kakovost vina kot je bila ocenjena s senzoričnim preskušanjem (cvetica, barva in okus). Uporabili smo kombinacijo subjektivnih ocen vzorcev vin s strani enologov in fizikalno kemijskih lastnosti vzorcev vin izmerjenih v analiznem laboratoriju. Vplivnost izmerjenih spremenljivk smo določili z metodo glavnih osi in rezultate potrdili z analizo variance. Z linearno diskriminantno analizo smo vzorce vin uspešno ustrezno uvrstili v razrede, kakor tudi neznane vzorce vin uvrstili v ustrezno kategorijo. Kategorije vina smo določili glede na tri vrste vina, na dva letnika in na dva proizvajalca. Dve ali tri kategorije smo določili glede na kakovost vina, ki je bila odraz skupne ocene senzorične analize vzorcev vin ali ocene vzorcev vin po posameznih deskriptorjih opravljene senzorične analize (barva, okus in cvetica).

Nonylphenols (NP) possess estrogenic activities and may cause increased risk of cancerous and reproductive abnormalities in several living organisms. Despite their harmful nature, NPs are used as additives in food packaging material, especially plastic, which is the main food contact material in today's packaging landscape. According to the fact that food packaging is one of the major potential food contaminant sources regarding NPs, there is a need for more information on identifying and quantifying of these chemicals when migrating into food. Seventeen plastic films for food packaging were analyzed for the presence of NPs; nine of them were plastic films for deep freeze food packaging. We determined and quantified NPs by Gas Chromatography-Mass Spectrometry (GC-MS) using the internal standard method. All plastic films for deep freeze food packaging contained NPs within a concentration range from 11.9 to 43.7 mg/kg. We also studied the migration of NPs from three of the plastic films for deep freeze food packaging into food simulants. The migration of NPs from these plastic films into 95% ethanol and 10% ethanol was higher than the amount migrating into distilled water or 3% acetic acid.

The investigation presented here aims to compare the fatty acid composition of red blood cells of patients with different disease states and to test the hypothesis that the changes in fatty acid profiles derived from erythrocyte phospholipids might be relevant to various diseases. The study sample consisted of 342 blood donors, among them 135 with inflammatory bowel disease, 53 with uterine leiomyoma, 14 with verified absence of uterine leiomyoma, 52 with asthma, 18 with colon adenomas, and 70 blood samples without any of mentioned diseases that was used as a control group. After the isolation of erythrocytes from blood samples, total extracted lipids were separated by solid-phase extraction (SPE) into non polar lipids and polar phospholipids. After the saponification of phospholipid fraction, the esterification process followed with boron trifluoride-methanol reagent. The fatty acid methyl ester (FAME) composition of the total red blood cell phospholipid fraction was analyzed by gas chromatography (GC) with flame ionization detector (FID). Additionally two fatty aldehyde dimethyl acetals (hexadecanal and octadecanal dimethyl acetals; 16:0 DMA and 18:0 DMA) derived from erythrocyte membrane plasmalogen phospholipids were also determined. The resulting fatty acid and plasmalogen linked fatty acid composition was evaluated by the principal component analysis (PCA). We demonstrated decreased levels of omega-3 polyunsaturated fatty acids (n-3 PUFAs) in red blood cell membrane of patients with colon adenomas. Also, a large negative correlation was observed among all samples between the quantity of saturated acids and arachidonic (20:4n6) acid as well as saturated acids and adrenic (22:4n6) acid. In PCA score plot a group of female donors is distinguished mainly by the content of linoleic (18:2n6) acid; a small subgroup shows its concentration highly above the average value. At the same time, the same subgroup has both dimethyl acetals below the average concentrations. The study demonstrates feasibility of multivariate data analysis in discrimination of patients with different diseases according to fatty acid profile and suggests considerable differences in membrane fatty acid profiles in patients with various disease states. V prispevku je predstavljena študija primerjave sestave maščobnih kislin iz fosfolipidov človeških membran rdečih krvnih celic bolnikov z izbranimi bolezenskimi stanji z namenom testiranja hipoteze, da je sprememba v sestavi lahko povezana z različnimi boleznimi. V študijo je bilo vključenih 342 posameznikov, od tega 135 bolnikov s kronično vnetno črevesno boleznijo, 53 bolnic z miomi maternice in 14 žensk dokazano brez miornov maternice, nadalje 52 bolnikov z astmo, 18 bolnikov s črevesnimi polipi in 70 zdravih posameznikov (krvodajalcev), ki so služili kot kontrolna skupina. Izolaciji rdečih krvnih celic je sledilo ločevanje celokupnih ekstrahiranih lipidov z ekstrakcijo na trdni fazi (SPE) na nepolarne in polarne lipide. Po umiljenju fosfolipidne frakcije je sledila esterifikacija z bor trifluorid metanolnim reagentom. Sestavo metil estrov mašcobnih kislin skupne fosfolipidne frakcije rdečih krvnih celic smo določali s plinsko kromatografijo s plamensko ionizacijskim detektorjem. Dodatno smo iz membran rdečih krvnih celic fosfolipidnih plazmalogenov določili tudi dva dimetil acetala (heksadekanal in oktadekanal dimetil acetal; 16:0DMA in 18:0DMA). Z metodo glavnih osi smo karakterizirali vzorce glede na sestavo mašcobnih kislin in dimetil acetalov, povezanih s plazmalogeni. Ugotovili smo zelo nizke vsebnosti omega-3 polinenasičenih maššobnih kislin v celičnih membranah rdečih krvnih celic pri pacientih s črevesnimi polipi. Velik negativni korelacijski koeficient je bil ugotovljen med vsebnostjo nasičenih maščobnih kislin in arahidonsko (20:4n6) kislino in med vsebnostjo nasičenih mašcobnih kislin in adrensko (22:4n6) kislino. Metoda glavnih osi je pokazala manjšo izstopajočo skupino pacientov ženskega spola z različnim bolezenskim fenotipom, ki se je ločila glede na vsebnost linolne (18:2n6) kisline, ki je bila pri tej podskupini precej nad povprecno vrednostjo vseh 342 vzorcev. Študija je pokazala, da obstajajo razlike v sestavi maščobnih kislin rdečih krvnih celic pri pacientih z različnimi boleznimi.

The ways of application of multivariate data analysis and ANOVA to classification of white varietal wines are here demonstrated. Wine classification was performed using the following classification criteria: winevariety, year of production, wine producer, and wine quality, as found by sensorial testing (bouquet, colour, and taste). Subjective wine evaluation, made by wine experts, is combined with commonly used chemical and physico-chemical properties, measured in analytical laboratory. Importance of the measured variables was determined by principal component analysis and confirmed by analysis of variance. Linear discriminant analysis enabled not only a very successful wine classification but also prediction of the wine category for unknown samples. The wine categories were set up either by three wine varieties, or two vintages, wine producers; two or three wine categories established by wine quality reflected either total points obtained in sensorial evaluation or the points obtained for a particular quality descriptor like colour, taste and bouquet.

Cotton is a natural fibre with its properties strongly dependent on the growing conditions. The quality of the supplied raw cotton fibres has a strong influence on the final product. The electrokinetic properties of macroscopic solids can describe both the surface modification as well as the interaction abilities during processing. The zeta potential of three cotton knitted fabrics (Greek, Indonesian and Indian) raw and modified (de-waxed, acid and alkali treated and pre-bleached) were determined. The zeta potential changed noticeable during the treatment processes due to improvement in the accessibility of dissociable groups of cotton knitted fabrics. The alkali pre-treatment caused a pronounced decrease in zeta potential.

The quality of ground water as a source of drinking water in Slovenia is regularly monitored. One of the monitoring programmes is performed on 5 wells for drinking water supply, 3 industrial wells and 2 ground water monitoring wells. Two hundred and fourteen samples of ground waters were analysed in the time 2003-2004. Samples were gathered from ten different sampling sites and physical chemical measurements were performed. The following 13 physical chemical parameters were regularly controlled: temperature, pH, conductivity, nitrate, AOX (adsorbable organic halogens), metals such as chromium, pesticides (desethyl atrazine, atrazine and 2,6-dichlorobenzamide), highly-volatile halogenated hydrocarbons (trichlorometane, 1,1,2,2-tetrachloroethene and 1,1,2-trichloroethene). For handling the results different chemometrics methods were employed, such as basic statistical methods for the determination of mean and median values, standard deviations, minimal and maximal values of measured parameters and their mutual correlation coefficients, cluster analysis (CA), the principal component analysis (PCA), the clustering method based on Kohonen neural network, and linear discriminant analysis (LDA). The study gives the opportunity to follow the quality of ground waters at different sampling sites within the defined time period. Monitoring of general pollution of ground waters and following measuring can be used to search the pollution source, to plan prevention measures and to protect from pollution, as well.

A gas chromatographic-mass spectrometric (GC-MS) method for the simultaneous identification and quantification of seven major phenolic and terpenic compounds in Rosmarinus officinalis L. was developed. The compounds were identified as trimethylsilyl (TMS) derivatives of phenolic acids (caffeic and rosmarinic acid), phenolic diterpene (carnosic acid), and pentacyclic triterpenes (ursolic, oleanolic, betulinic acid and betulin). These compounds have been identified by retention time and comparison of mass spectra. The procedure involves ultrasonic extraction using solvent mixture of tetrahydrofuran and ethanol. Extracts were fractionated by size exclusion chromatography (SEC) after purifying on graphitised carbon. The fraction with phenolic and terpenic compounds was derivatised prior to GC-MS analysis using N-methyl-N-trimethylsilyl trifluoroacetamide (MSTFA) as a derivatisation reagent. The derivatisation process was optimized regarding temperature and reaction time. The linearity of the method was tested in concentration range 4-25 mg L-1. The correlation coefficients (r2) were in the range of 0.997 to 0.999. The average recoveries for all compounds ranged from 80 to 82%. The GC-MS technique is specific and sensitive, and can be used for simultaneous identification and determination of a wide range of phenolic and terpenic compounds in different plants even at trace levels.

Fifty samples of natural mineral waters from springs in Slovenia, Hungary, Germany, Czech Republic and further countries of former Yugoslavia have been analysed. The mass concentration of cations (Na+, K+, Ca2+, Mg2+, Fe2+, Mn2+, NH4+) and anions (F-, Cl-, I-, NO3-, SO4 2-, HCO3-), the spring temperature, pH, conductivity and carbon dioxide mass concentration have been measured using standard analytical methods. Appropriate statistical methods and different chemometric tools were used to evaluate the obtained data, namely, (i) descriptive statistics, (ii) principal component analysis (PCA), (iii) cluster analysis, and (iv) linear discriminant analysis (LDA). It was confirmed that Slovenian natural mineral water samples differ most from the German ones but are relatively similar to the Czech and Hungarian ones. Water samples from Hungary are similar to waters from the eastern part of Slovenia.

A rapid analytic method for isolation, separation and determination of some phenolic diterpenes and triterpenes from fresh and dry rosemary leaves (Rosmarinus officinalis L.) has been developed. The components identified in the plant extract were trimethylsilylated derivatives of rosmarinic acid, phenolic diterpenes, carnosol and carnosic acid, pentacyclic triterpenoids, ursolic, oleanolic, betulinic acid and betulin. Experiments were performed to establish the optimum conditions for solvent selection, mode and duration of extraction, derivatisation, and to set chromatographic conditions, as well. The enumerated compounds have numerous similarities in the chemical and pharmacological character. Publications dealing with separation and determination of diterpenes and triterpenes in plant material report many different analytic methods, but most extended are high performance liquid chromatography and thin layer chromatography. The procedures are complicated, since the separation and the determination of terpenic compounds are difficult because of structure similarity. Therefore, gas chromatography and mass spectrometry were used as methods enabling good separation and parallel determination of phenolic diterpenes and triterpenes.

Relationships among serum levels of morphine (M), morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) as well as the results of several standard biochemical tests were investigated in oncology patients, to whom morphine was administered. The level of the serum concentrations of M, M3G and M6G, determined by a new HPLC method, plays an important role in pain resistance: particularly the M3G/M6G ratio is extraordinarily important. The magnitude of this ratio is a complex function of the patient's gender, type of the morphine drug and tumor location. Studies of relations between the standard biochemical tests and the M, M3G, and M6G concentrations, and the M3G/M6G ratio, revealed a strong connection between M3G/M6G and the clearance of creatinine.

Statistical comparison of two laboratory methods, measuring the same objects, is usually performed by regression. However, the results achieved are often incorrect due to application of ordinary least squares linear regression, which should not be used for this purpose. A statistically correct decision whether two laboratory methods provide concordant or discordant results is reliable only when using regression techniques which respect the errors of both compared variables.Another correct possibility is to apply a robust regression where the errors of compared variables are not influencing the calculation of regression parametersand their standard deviations. A survey of appropriate regression techniques and their use for comparison of real-life clinical methods is given in this paper.

Dioxins in some textile dyes and pigments may be a significant source of both human exposure and environmental contamination. Dyes and pigments contaminated with dioxins are the main sources of dioxins in textile industry. Further formations of dioxins can occur via dyeing and textile finishing processes at the conditions favoured for the generation of PCDD/Fs (high temperatures, alkaline conditions, UV radiation or other radical starters). Distribution of dioxins and their fate during textile processes were investigated. Textile disperse dye contaminated with dioxins was used in dyeing process and increasing of dioxins content during the process was observed.