The purpose of this study was to examine the chemical composition of the essential oil of Thymus serpyllum L. collected on the slopes of Kopaonik and to compare it with the results of the analysis of ...essential oils of the species which originate from other parts of Europe. The isolation of the essential oil was carried out through the process of hydrodistillation in the Clevenger type apparatus while the chromatographic analysis of the essential oil was carried out by using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). 26 constituents representing 98.4 % of the detected components were identified out of 27 registered constituents. Sesquiterpenes are a dominant class of the compounds in tested essential oils with trans-caryophyllene as the principal component. The content of identified monoterpenes was 37, 9 % (α-pinene as the main component), sesquiterpenes 60,5 % (trans-caryophyllene, γ-muurolene and α-humulene as the major constituents). Apart from dominant constituents, trans-caryophyllene, γ-muurolene and α-humulene, camphor (3.6 %), limonene (2.7 %) and β-bisabolol (2.6 %) were also found in larger quantities.
The purpose of this study was to examine the chemical composition of the essential oil of Thymus serpyllum L. collected on the slopes of Kopaonik and to compare it with the results of the analysis of ...essential oils of the species which originate from other parts of Europe. The isolation of the essential oil was carried out through the process of hydrodistillation in the Clevenger type apparatus while the chromatographic analysis of the essential oil was carried out by using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). 26 constituents representing 98.4 % of the detected components were identified out of 27 registered constituents. Sesquiterpenes are a dominant class of the compounds in tested essential oils with trans-caryophyllene as the principal component. The content of identified monoterpenes was 37, 9 % (α-pinene as the main component), sesquiterpenes 60,5 % (trans-caryophyllene, γ-muurolene and α-humulene as the major constituents). Apart from dominant constituents, trans-caryophyllene, γ-muurolene and α-humulene, camphor (3.6 %), limonene (2.7 %) and β-bisabolol (2.6 %) were also found in larger quantities.
The purpose of this study was to examine the chemical composition of the essential oil of Thymus serpyllum L. collected on the slopes of Kopaonik and to compare it with the results of the analysis of ...essential oils of the species which originate from other parts of Europe. The isolation of the essential oil was carried out through the process of hydrodistillation in the Clevenger type apparatus while the chromatographic analysis of the essential oil was carried out by using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). 26 constituents representing 98.4 % of the detected components were identified out of 27 registered constituents. Sesquiterpenes are a dominant class of the compounds in tested essential oils with trans-caryophyllene as the principal component. The content of identified monoterpenes was 37, 9 % (α-pinene as the main component), sesquiterpenes 60,5 % (trans-caryophyllene, γ-muurolene and α-humulene as the major constituents). Apart from dominant constituents, trans-caryophyllene, γ-muurolene and α-humulene, camphor (3.6 %), limonene (2.7 %) and β-bisabolol (2.6 %) were also found in larger quantities.
This study investigates the potential of fatty acid profiles of various industrial crops to discriminate them based on their botanical origin. All of the analyzed plants were grown on experimental ...fields at Rimski Šančevi, Republic of Serbia. Cereal samples (corn, wheat, barley, and oat) were milled into flour and lipid fractions were extracted using n-hexane. Lipid fractions of oilseed samples (rape, flax, safflower, and pumpkin) were obtained by mechanical pressing. The fatty acids present in lipid fractions, were derivatized into corresponding volatile methyl esters (FAMEs) and determined on a gas chromatography/mass spectrometry instrument (GC-MS). Peaks of eluting compounds were simultaneously identified using mass spectra libraries, giving a match quality of over 90%. The peaks of molecular ions of methyl esters of 9 dominant fatty acids were extracted, and their abundances used to create numerical matrices for further data processing. Chemometric multivariate data analysis tools-principal component analysis (PCA), cluster analysis (CA), principal coordinate analysis (PCoA) and linear discriminant analysis (LDA), were used to extract significant variables, visualize discriminations, and classify between analyzed plant samples. The applied tools demonstrated separations of analyzed cereals in three groups: corn, oat and the samples of small grains-wheat and barley. In the case of oilseeds a clear separation between all four plant species was obtained. This work represents a new concept of the application of fatty acid analysis in developing authentication methods for industrial crops and their staple food products.
The values of parameters calculated from distribution and abundance of the selected pentacyclic terpanes in crude oils from Libya and Serbia, which were originally derived from gas ...chromatography-mass spectrometry (GC–MS) were compared with results of quantification based on gas chromatography– –mass spectrometry-mass spectrometry (GC–MS-MS). The parameters analyzed are the most often used terpane source and maturity parameters, which were applied to a large sample set of 70 oils, originating from five oil fields. The aim of the paper was to investigate to which extent the measurements of the selected parameters by these two instrumental techniques agree and to determine the influence of differences between parameter values on geochemical interpretation. For that purpose two methods, concordance correlation coefficient and mean-difference plot were used. The obtained results indicate that calculation of C2718α(H)-22,29,30-trisnorneohopane/(C2718α(H)-22,29,30- -trisnorneohopane + C2717α(H)-22,29,30-trisnorhopane), C2918α(H)-30-norneohopane/C2917α(H)21β(H)-30-norhopane and C2917α(H)21β(H)-30-norhopane/C3017α(H)21β(H)-hopane ratios either by GC–MS or GC–MS-MS do not significantly influence interpretation. On the other hand, the determination of C3017β(H)21α(H)-moretane/C3017α(H)21β(H)-hopane ratio, gammacerane index and oleanane index by GC–MS vs. GC‑MS-MS could notably affect interpretation. These differences can be explained by the co-elution and the peak overlapping in GC–MS but also by better separation, higher precision and better selectivity of the GC–MS-MS. Deviation of the almost all studied parameters from the line of equality was similar for the oils from the same oil field but some differences were observed for the oils from different oil fields. Therefore, when GC–MS-MS results are to be used in organic geochemical interpretations, a regional calibration of GC–MS vs. GC‑MS-MS relationship for each petroleum system is highly recommended.
Pesticides commonly used in the Republic of Serbia (tebuconazole, pendimethalin, pyraclostrobin, propiconazole and famoxadone) have high stability, so their potential toxicity to humans needs to be ...investigated. These pesticides are in use in the Republic of Serbia in various formulations. Their toxicity and interactions with acetylcholinesterase were thoroughly investigated in this study using computational tools. The ADMET (adsorption, distribution, metabolism, excretion, toxicity) study showed that all of them are efficient oral compounds, and that pendimethalin was a mutagenic compound. Glide scores ranged from ?18.41 (pendimethalin) to ?27.61 kJ mol-1 (famoxadone) in Mus musculus, and from ?19.58 (pendimethalin) to ?24.31 kJ mol-1 (propiconazole) in Homo sapiens. In addition, the experimental stability of the pesticides solutions in methanol was studied using the fast gas chromatography?mass spectrometry (GC?MS, retention times of the studied pesticides ranged from 14.47 (pendimethalin) to 22 min (famoxadone)). They showed good stability over time, apart from pyraclostrobin which decomposed mainly into its desmethoxy derivative after 20 months. Based on the promising modelling results, pyraclostrobin and famoxadone emerge as potential candidates for further investigation in the treatment of Alzheimer?s disease, taking care to increase their stability.
This is the first comprehensive study on the occurrence of 940 semi-volatile organic compounds including sterols, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), ...pesticides, plasticizers, and other emerging compounds in 10 river and canal sediments collected in northern Serbia. For quantification of investigated compounds GC-MS-MS (selected reaction monitoring) and GC-MS (using both selected ion monitoring and total ion monitoring) methods were used. The number of detected compounds was in the range of 85–117, while the sum of the concentrations varied from 959 μg/kg dry-wt to 84,445 μg/kg dry-wt. Sterols were quantified with high frequency in nearly 100% of investigated samples suggesting that the studied rivers and canals have been contaminated by sewage. Regarding persistent organic compounds,
p
,
p
′-DDE,
p
,
p
′-DDD, and
o
,
p
′-DDT were the dominant members of organochlorine pesticides (OCPs). The concentration range of 11 quantified pesticides of 452 analyzed was from 0.564 to 61.6 μg/kg dry-wt, while the concentration range of 47 quantified PCBs of 90 analyzed was from 0.928 to 32.1 μg/kg dry-wt. OCPs (DDE, DDD, and γ-HCH) and several PAHs (fluoranthene, pyrene, phenanthrene, chrysene, benzo(a)anthracene, benzo(a)pyrene) exceeded the maximum values of the sediment quality guidelines. Contents of domestic compounds comprise a large proportion of the total contaminant concentration. Overall, the study reveals that river sediments in Vojvodina Province were moderately polluted mainly by domestic wastewater. The toxic equivalent quantity (TEQ) relative to benzo(a)pyrene and 2,3,7,8-tetrachlorodibenzodioxin for seven carcinogenic PAHs and six quantified dioxin-like PCBs ranged from 3.59 to 103 μg TEQ/kg and from 0.001 × 10
−3
to 2.10 × 10
−3
μg TEQ/kg, respectively, and were in the range or lower than the literature published data.
Basil essential oil (BEO) contains a wide range of chemical compounds whose content may vary depending on chemotypes, environmental conditions, agronomic techniques and particularly the origin of the ...plant. In our present study, essential oils (EOs) were isolated by hydrodistillation method from dry herbs of three basil cultivars and analyzed by GC-FID and GC-MS. Two of the tested cultivars belong to sweet basil group (B1 and B2) while the third one was large leafed ʽGenovese’ basil (B3). EO content in the dry herb was 0.65%, 0.41% and 0.62% respectively. The main classes of compounds of B1EO and B3EO were sesquiterpene hydrocarbons (38.39% and 37.95%), oxygenated monoterpenes (25.44% and 28.04%) and phenylpropanoids (17.43% and 15.71%). The main constituents of both EOs were monoterpene alcohol linalool (13.68% and 15.38%), phenoyl derivate eugenol (10.83% and 8.97%) and sesquiterpene hydrocarbon α-bergamotene (8.12% and 9.25%). In both EOs, epi-bicyclosesquiphellandrene was detected in considerable amount (7.03% and 8.07%). The most abundant compound classes in B2EO were oxygenated monoterpenes (52.07%), sesquiterpene hydrocarbons (24.27%) and phenylpropanoids (10.95%). Linalool was the dominant compound (40.97%), followed by epi-bicyclosesquiphellandrene (8.70%) and methyl chavicol (7.92%). The results showed complex chemical composition of BEOs and pointed out the presence of biologically active compounds of importance for different branches of the pharmaceutical, chemical and food industry. Although there are differences in the chemical composition of the BEOs, the obtained results show that all of the tested cultivars are rich in compounds which are responsible for biological activities.
In this work, the samples of roots and soils from the rooting zone of wild blackberry were collected from the urban-industrial and rural locations near “The Copper Mining and Smelting Complex Bor” ...(Serbia); they were analyzed by gas chromatographic-mass spectrometric method to determine the content of high-molecular weight polycyclic aromatic hydrocarbons (HMW PAHs). The obtained results were further processed using bio-concentration factor, Pearson's correlation study and hierarchical cluster analysis with the aim of investigating if they may be in favor of wild blackberry as a suitable plant for biomonitoring or phytoremediation purposes. In spite of the fact that numerous complex factors can affect the assimilation and accumulation of PAHs in plants, the obtained data expressed clearly many interesting specifics related to HMW PAH accumulation in roots of wild blackberry that naturally grows in an area, which is heavily polluted by heavy metals. The accumulation of individual PAH compounds in plant roots was at different level. The most abundant compound in all plant samples was benzoapyrene and based on the results obtained for this environmental indicator of carcinogenic PAHs, it was possible to make several central conclusions: wild blackberry showed an excellent potential for its extraction from the soil and further accumulation in root tissues which indicate that this plant species may be applied in phytoremediation procedures based on mechanisms such as phytoextraction/phytoaccumulation in roots; phytostabilization and rhizodegradation are also possible as remediation mechanisms; utilization of plant roots in soil monitoring is possible but in this case, only the combination with soil data can provide correct information.
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•HMW PAHs were analyzed by GC/MS, BCFs, Pearson's correlation study and HCA.•The accumulation of individual PAH compounds in plant roots was at different level.•Wild blackberry may be very useful for soil PAH removal or stabilization.•Roots can be useful in soil monitoring but only in combination with soil data.
is a cosmopolitan medicinal plant from the Lamiaceae family, which produces structurally highly diverse groups of secondary metabolites. A total of 160 compounds were determined in the volatiles from ...Serbia during two investigated years (2019 and 2020). The main components were
-caryophyllene, followed by germacrene D,
-humulene and
-copaene. All these compounds are from sesquiterpene hydrocarbons class which was dominant in both investigated years. This variation in volatiles composition could be a consequence of weather conditions, as in the case of other aromatic plants. According to the unrooted cluster tree with 37 samples of
sp. volatiles from literature and average values from this study, it could be said that there are several chemotypes:
-caryophyllene,
-bisabolene, α-pinene, β-farnesene,
-caryophyllene + caryophyllene oxide chemotype, and diverse (unclassified) chemotypes. However, occurring polymorphism could be consequence of adaptation to grow in different environment, especially ecological conditions such as humidity, temperature and altitude, as well as hybridization strongly affected the chemotypes. In addition, this paper aimed to obtain validated models for prediction of retention indices (RIs) of compounds isolated from
volatiles. A total of 160 experimentally obtained RIs of volatile compounds was used to build the prediction models. The coefficients of determination were 0.956 and 0.964, demonstrating that these models could be used for predicting RIs, due to low prediction error and high
.
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