Search results for: Jelena Kovačević Vorgučin

Authors: Anna Guitart Atienza, Ana Fernández del Río, Madhav Nekkar, Jelena Ljubicic, África Periáñez, Eura Shin, Lauren Bellhouse

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The use of digital devices in healthcare or mobile health (mHealth) has increased in recent years due to the advances in digital technology, making it possible to nudge healthy behaviors through individual interventions. In addition, mHealth is becoming essential in poor-resource settings due to the widespread use of smartphones in areas where access to professional healthcare is limited. In this work, we evaluate mHealth interventions in low-income countries with a focus on causal inference. Counterfactuals estimation and other causal computations are key to determining intervention success and assisting in empirical decision-making. Our main purpose is to personalize treatment recommendations and triage patients at the individual level in order to maximize the entire intervention's impact on the desired outcome. For this study, collected data includes mHealth individual logs from front-line healthcare workers, electronic health records (EHR), and external variables data such as environmental, demographic, and geolocation information.

Keywords: causal inference, mHealth, intervention, personalization

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Authors: Strahinja Kovačević, Lidija Jevrić, Miloš Kuzmanović, Sanja Podunavac-Kuzmanović

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In this paper, various derivatives of benzimidazole have been evaluated against Gram-negative bacteria Escherichia coli. For all investigated compounds the minimum inhibitory concentration (MIC) was determined. Quantitative structure-activity relationships (QSAR) attempts to find consistent relationships between the variations in the values of molecular properties and the biological activity for a series of compounds so that these rules can be used to evaluate new chemical entities. The correlation between MIC and some absorption, distribution, metabolism and excretion (ADME) parameters was investigated, and the mathematical models for predicting the antibacterial activity of this class of compounds were developed. The quality of the multiple linear regression (MLR) models was validated by the leave-one-out (LOO) technique, as well as by the calculation of the statistical parameters for the developed models and the results are discussed on the basis of the statistical data. The results of this study indicate that ADME parameters have a significant effect on the antibacterial activity of this class of compounds. Principal component analysis (PCA) and agglomerative hierarchical clustering algorithms (HCA) confirmed that the investigated molecules can be classified into groups on the basis of the ADME parameters: Madin-Darby Canine Kidney cell permeability (MDCK), Plasma protein binding (PPB%), human intestinal absorption (HIA%) and human colon carcinoma cell permeability (Caco-2).

Keywords: benzimidazoles, QSAR, ADME, in silico

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Authors: Sanja O. Podunavac-Kuzmanović, Lidija R. Jevrić, Strahinja Z. Kovačević

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Benzimidazoles are a group of compounds with significant antibacterial, antifungal and anticancer activity. The studied compounds consist of the main benzimidazole structure with different combinations of substituens. This study is based on the two-dimensional and three-dimensional molecular modeling and calculation of molecular descriptors (physicochemical and lipophilicity descriptors) of structurally diverse benzimidazoles. Molecular modeling was carried out by using ChemBio3D Ultra version 14.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The obtained set of molecular descriptors was used in principal component analysis (PCA) of possible similarities and dissimilarities among the studied derivatives. After the molecular modeling, the quantitative structure-property relationship (QSPR) analysis was applied in order to get the mathematical models which can be used in prediction of pKb values of structurally similar benzimidazoles. The obtained models are based on statistically valid multiple linear regression (MLR) equations. The calculated cross-validation parameters indicate the high prediction ability of the established QSPR models. This study is financially supported by COST action CM1306 and the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina.

Keywords: benzimidazoles, chemometrics, molecular modeling, molecular descriptors, QSPR

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Authors: Andreas Ahrens, Jelena Zascerinska

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Emotions are crucial in online classes in adult education. Despite that, little attention was devoted to the emotional experience of being an online teacher in the field of andragogy, and the online teacher’s emotional perspectives in ever-changing environments have to be analysed. The paper aims the analysis of teachers’ emotional experience in online classes in adult education in selected European countries. The research tends to propose implications for training teachers who work in online classes in adult education. The survey was conducted in April 2022. In the selected European countries, 78 respondents took part in the study. Among them, 30 respondents represented Germany, 28 respondents participated in the study in Greece, and 20 respondents from Italy took part in the survey. The theoretical findings allow for defining teacher emotional experience. The analysis of the elements of the respondents’ emotional experience allows concluding that teachers’ attitude to online classes has to be developed. The key content for teacher training is presented. Directions for further work are proposed.

Keywords: adult education, emotions, online classes, teacher emotional experience

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Authors: Strahinja Kovačević, Sanja Podunavac-Kuzmanović, Lidija Jevrić, Milica Karadžić

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The present study is based on the quantitative structure-activity relationship (QSAR) analysis of eighteen compounds with anti-prion activity. The structures and anti-prion activities (expressed in response units, RU%) of the analyzed compounds are taken from CHEMBL database. In the first step of analysis 85 molecular descriptors were calculated and based on them the hierarchical cluster analysis (HCA) and principal component analysis (PCA) were carried out in order to detect potential significant similarities or dissimilarities among the studied compounds. The calculated molecular descriptors were physicochemical, lipophilicity and ADMET (absorption, distribution, metabolism, excretion and toxicity) descriptors. The first stage of the QSAR analysis was simple linear regression modeling. It resulted in one acceptable model that correlates Henry's law constant with RU% units. The obtained 2D-QSAR model was validated by cross-validation as an internal validation method. The validation procedure confirmed the model’s quality and therefore it can be used for prediction of anti-prion activity. The next stage of the analysis of anti-prion activity will include 3D-QSAR and molecular docking approaches in order to select the most promising compounds in treatment of prion diseases. These results are the part of the project No. 114-451-268/2016-02 financially supported by the Provincial Secretariat for Science and Technological Development of AP Vojvodina.

Keywords: anti-prion activity, chemometrics, molecular modeling, QSAR

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Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Sinisa Markov, Aleksandar Okljesa, Andrea Nikolic, Marija Sakac, Katarina Penov Gasi

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This study considered the microbiological activity determination and molecular docking study for selected steroid derivatives of biomedical importance. Minimal inhibitory concentration (MIC) was determined for steroid derivatives against Staphylococcus aureus using macrodilution method. Some of the investigated steroid derivatives express bacteriostatic effect against Staphylococcus aureus. Molecular docking approaches are the most widely used techniques for predicting the binding mode of a ligand. Molecular docking study was done for steroid derivatives for androgen receptor negative prostate cancer cell line (PC-3) toward Human Cytochrome P450 CYP17A1. The molecules that had the smallest experimental IC50 values confirmed their ability to dock into active place using suitable molecular docking procedure. The binding disposition of those molecules was thoroughly investigated. Microbiological analysis and molecular docking study were conducted with aim to additionally characterize selected steroid derivatives for future investigation regarding their biological activity and to estimate the binding-affinities of investigated derivatives. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation and Science and Technology).

Keywords: binding affinity, minimal inhibitory concentration, molecular docking, pc-3 cell line, staphylococcus aureus, steroids

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Authors: Kiurski S. Jelena, Ranogajec G. Jonjaua, Kecić S. Vesna, Oros B. Ivana

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The present study investigates the effectiveness of newly designed clayey pellets (fired clay pellets diameter sizes of 5 and 8 mm, and unfired clay pellets with the diameter size of 15 mm) as the beds in the column adsorption process. The adsorption experiments in the batch mode were performed before the column experiment with the purpose to determine the order of adsorbent package in the column which was to be designed in the investigation. The column experiment was performed by using a known mass of the clayey beds and the volume of the waste printing developer, which was purified. The column was filled in the following order: fired clay pellets of the diameter size of 5 mm, fired clay pellets of the diameter size of 8 mm, and unfired clay pellets of the diameter size of 15 mm. The selected order of the adsorbents showed a high removal efficiency for zinc (97.8%) and copper (81.5%) ions. These efficiencies were better than those in the case of the already existing mode adsorption. The obtained experimental data present a good basis for the selection of an appropriate column fill, but further testing is necessary in order to obtain more accurate results.

Keywords: clay materials, fix bed adsorption column, metal ions, printing developer

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Authors: Jelena Popović, Andrijana Mićanović

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Officially, 60% of Montenegrin territory is covered in forests, but they are continually being destroyed by illegal cutting, concession politics and wildfires. Montenegrin Ecologists Society started the first dendrochronology lab in Montenegro, and data collection began in the Summer of 2021. The cores were taken from 3 localities around the peak Lisac on the mt. Prekornica, where biggest P.heldreichii forests existed until recent huge wildfires. This research is the first step towards comprehensive dendrochronology research in Montenegro. It will show how old certain forest stands of Pinus heldreichii on mountain Prekornica are, that were not destroyed in huge wildfires from the recent years. It will also show how do they correlate between each other. Per locality 15 trees were sampled. Electric sanders (150 - 2000) were used for preparation. Cores were scanned, then measured in CooRecorder. Analysis is done in Cofecha. Process will be repeated with Lintab 6 and TSAP (Time Series Analysis and Presentation for Dendrochronology and Related Applications) - Win Scientific software by Rinntech. Since this is the first dendrochronology research entirely done in Montenegro it is a foundation for the dendroclimatology research. Besides, it’ll contribute to the understanding of the life of these forests in this part of its areal, and in designing good management practices.

Keywords: dendrochronology, bosnian pine, pinus heldreichii, montenegro, forests

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Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Anamarija Mandic, Katarina Penov Gasi, Marija Sakac, Aleksandar Okljesa, Andrea Nikolic

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The present paper deals with chromatographic lipophilicity prediction of newly synthesized steroid derivatives. The prediction was achieved using in silico generated molecular descriptors and quantitative structure-retention relationship (QSRR) methodology with the artificial neural networks (ANN) approach. Chromatographic lipophilicity of the investigated compounds was expressed as retention factor value logk. For QSRR modeling, a feedforward back-propagation ANN with gradient descent learning algorithm was applied. Using the novel sum of ranking differences (SRD) method generated ANN models were ranked. The aim was to distinguish the most consistent QSRR model that can be found, and similarity or dissimilarity between the models that could be noticed. In this study, SRD was performed with average values of retention factor value logk as reference values. An excellent correlation between experimentally observed retention factor value logk and values predicted by the ANN was obtained with a correlation coefficient higher than 0.9890. Statistical results show that the established ANN models can be applied for required purpose. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation in Science and Technology).

Keywords: artificial neural networks, liquid chromatography, molecular descriptors, steroids, sum of ranking differences

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Authors: Milica Karadžić, Lidija Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Anamarija Mandić, Aleksandar Oklješa, Andrea Nikolić, Marija Sakač, Katarina Penov Gaši

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Using chemometric approach, the relationships between the chromatographic lipophilicity and in silico molecular descriptors for twenty-nine selected steroid derivatives were studied. The chromatographic lipophilicity was predicted using artificial neural networks (ANNs) method. The most important in silico molecular descriptors were selected applying stepwise selection (SS) paired with partial least squares (PLS) method. Molecular descriptors with satisfactory variable importance in projection (VIP) values were selected for ANN modeling. The usefulness of generated models was confirmed by detailed statistical validation. High agreement between experimental and predicted values indicated that obtained models have good quality and high predictive ability. Global sensitivity analysis (GSA) confirmed the importance of each molecular descriptor used as an input variable. High-quality networks indicate a strong non-linear relationship between chromatographic lipophilicity and used in silico molecular descriptors. Applying selected molecular descriptors and generated ANNs the good prediction of chromatographic lipophilicity of the studied steroid derivatives can be obtained. This article is based upon work from COST Actions (CM1306 and CA15222), supported by COST (European Cooperation and Science and Technology).

Keywords: artificial neural networks, chemometrics, global sensitivity analysis, liquid chromatography, steroids

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Authors: Andreas Ahrens, Ojaras Purvinis, Jelena Zascerinska

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A successful shopping experience without overcrowded shops and long waiting times undoubtedly leads to the release of happiness hormones and is generally considered the goal of any optimization. Factors influencing the shopping experience can be divided into internal and external ones. External factors are related, e. g. to the arrival of the customers to the shop, whereas internal are linked with the service process itself when checking out (waiting in the queue to the cash register and the scanning of the goods as well as the payment process itself) or any other non-expected delay when changing the status from a visitor to a buyer by choosing goods or items. This paper divides the customer-server interaction into five phases starting with the customer's arrival at the shop, the selection of goods, the buyer waiting in the queue to the cash register, the payment process, and ending with the customer or buyer's departure. Our simulation results show how five phases are intertwined and influence the overall shopping experience. Parameters for measuring the shopping experience are estimated based on the burstiness level in each of the five phases of the customer-server interaction.

Keywords: customers’ burstiness, cash register, customers’ wait-ing time, gap distribution function

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Authors: Jelena Filipovic, Milenko Kosutic

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The dynamic way of life has the tendency to simplify and decrease preparing healthy, quick, cheap and safe meals. Spelt pasta is meeting most of these goals. Contrary to bread, pasta can be stored a long time without deterioration in flavour, odour and usability without losing quality. This paper deals with the chemical composition and content of fatty acids in flaxseed and spelt flour. Ratio of essential fatty acids ω-6/ω-3 is also analysed in spelt pasta and pasta with 0%, 10% and 20% flaxseed flour. Gas chromatography with mass spectrometry is used for carrying out a quantitative analysis of flaxseed flour, spelt flour and pasta liposoluble extracts. Flaxseed flour has a better fatty acid profile than spelt flour, with low levels of saturated fat (approximately 9g/100g), high concentration of linolenic acid (57g/100g) and lower content of linoleic acid (16g/100g), as well as superior ω-6/ω-3 ratio that is 1:4. Flaxseed flour in the share of 10% and 20% in spelt pasta positively contributes to the essential fatty acids daily intake recommended by nutritionists and the improvement of ω-6/ω-3 ratio (6,7:1 and 1:1.2). This paper points out that investigated pasta with flaxseed is a new product with improved functional properties due to high level of ω-3 fatty acids and it is acceptable for consumers in regard to sensory properties.

Keywords: flaxseed, spelt, fatty acids, ω-3/ω-6 ratio, pasta

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Authors: Kiurski S. Jelena, Ranogajec G. Jonjaua, Oros B. Ivana, Kecić S. Vesna

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The adsorption efficiency of fired clayey pellets of 5 and 8 mm diameter size for Cu(II) and Zn(II) ions removal from a waste printing developer was studied. In order to investigate the influence of contact time, adsorbent mass and pellet size on the adsorption efficiency the batch mode was carried out. Faster uptake of copper ions was obtained with the fired clay pellets of 5 mm diameter size within 30 minutes. The pellets of 8 mm diameter size showed the higher equilibrium time (60 to 75 minutes) for copper and zinc ions. The results pointed out that adsorption efficiency increases with the increase of adsorbent mass. The maximal efficiency is different for Cu(II) and Zn(II) ions due to the pellet size. Therefore, the fired clay pellets of 5 mm diameter size present an effective adsorbent for Cu(II) ions removal (adsorption efficiency is 63.6%), whereas the fired clay pellets of 8 mm diameter size are the best alternative for Zn(II) ions removal (adsorption efficiency is 92.8%) from a waste printing developer.

Keywords: adsorption efficiency, clayey pellet, metal ions, waste printing developer

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Authors: Milica Ž. Karadžić, Lidija R. Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Z. Kovačević, Anamarija I. Mandić, Katarina Penov-Gaši, Andrea R. Nikolić, Aleksandar M. Oklješa

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This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology).

Keywords: generalized pair correlation method, molecular descriptors, regression analysis, steroids, sum of ranking differences

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Authors: Masoud Mohammadpour, Blair Carlson, Radovan Kovacevic

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The quality of laser welded-brazed (LWB) joints were strongly dependent on the main process parameters, therefore the effect of laser power (3.2–4 kW), welding speed (60–80 mm/s) and wire feed rate (70–90 mm/s) on mechanical strength and surface roughness were investigated in this study. The comprehensive optimization process by means of response surface methodology (RSM) and desirability function was used for multi-criteria optimization. The experiments were planned based on Box– Behnken design implementing linear and quadratic polynomial equations for predicting the desired output properties. Finally, validation experiments were conducted on an optimized process condition which exhibited good agreement between the predicted and experimental results. AlSi3Mn1 was selected as the filler material for joining aluminum alloy 6022 and hot-dip galvanized steel in coach peel configuration. The high scanning speed could control the thickness of IMC as thin as 5 µm. The thermal simulations of joining process were conducted by the Finite Element Method (FEM), and results were validated through experimental data. The Fe/Al interfacial thermal history evidenced that the duration of critical temperature range (700–900 °C) in this high scanning speed process was less than 1 s. This short interaction time leads to the formation of reaction-control IMC layer instead of diffusion-control mechanisms.

Keywords: laser welding-brazing, finite element, response surface methodology (RSM), multi-response optimization, cross-beam laser

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Authors: Gordana S. Ćetković, Vesna T. Tumbas Šaponjac, Sonja M. Djilas, Jasna M. Čanadanović-Brunet, Sladjana M. Stajčić, Jelena J. Vulić

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Bilberry is one of the most important dietary sources of phenolic compounds, including anthocyanins, phenolic acids, flavonol glycosides and flavan-3-ols. These phytochemicals have different biological activities and therefore may improve our health condition. Also, anthocyanins are interesting to the food industry as colourants. In the present study, bilberry pomace, a by-product of juice processing, was used as a potential source of bioactive compounds. The contents of total phenolic acids, flavonoids and anthocyanins in bilberry pomace were determined by HPLC/UV-Vis. The biological activities of bilberry pomace were evaluated by reducing power (RP) and α-glucosidase inhibitory potential (α-GIP), and expressed as RP0.5 value (the effective concentration of bilberry pomace extract assigned at 0.5 value of absorption) and IC50 value (the concentration of bilberry pomace extract necessary to inhibit 50% of α-glucosidase enzyme activity). Total phenolic acids content was 807.12 ± 25.16 mg/100 g pomace, flavonoids 54.36 ± 1.83mg/100 g pomace and anthocyanins 3426.18 ± 112.09 mg/100 g pomace. The RP0.5 value of bilberry pomace was 0.38 ± 0.02 mg/ml, while IC50 value was 1.82 ± 0.11 mg/ml. These results have revealed the potential for valorization of bilberry juice production by-products for further industrial use as a rich source of bioactive compounds and natural colourants (mainly anthocyanins).

Keywords: bilberry pomace, phenolics, antioxidant activity, reducing power, α-glucosidase enzyme activity

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Authors: Ivan Todorović, Stefan Komazec, Jelena Anđelković-Labrović, Ondrej Jaško, Miha Marič

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Micro, small and medium enterprises (MSME) are important factors of the economy in each country. Recent years have brought increased number and higher sophistication of scientific research related to numerous aspects of entrepreneurship. Various authors try to find the positive correlation between entrepreneur's personal characteristics, skills and knowledge on one hand, and company growth and success of small business on the other hand. Different models recognize staff as one of the key elements in every organizational system. Human resource (HR) function is present in almost all large companies, despite the geographical location or industry. Small and medium enterprises also often have separate positions or even departments for HR administration. However, in early stages of organizational life cycle human resources are usually managed by the founder, entrepreneur. In this paper we want to question whether the companies where founder, entrepreneur, recognizes the significance of human capital in the organization and understands the importance of HR management have higher growth rate and better business results. The findings of this research can be implemented in practice, but also in the academia, for improving the curricula related to the MSME and entrepreneurship.

Keywords: entrepreneurship, MSME, micro small and medium enterprises, company growth, human resources, HR management

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Authors: Nina N. Serdar, Jelena R. Pejović

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This paper presents seismic risk assessment of two bridge structure, based on the probabilistic performance-based seismic assessment methodology. Both investigated bridges are tree span continuous RC curved bridges with the difference in column shapes. First bridge (type A) has a wall-type pier and second (type B) has a two-column bent with circular columns. Bridges are designed according to European standards: EN 1991-2, EN1992-1-1 and EN 1998-2. Aim of the performed analysis is to compare seismic behavior of these two structures and to detect the influence of column shapes on the seismic response. Seismic risk assessment is carried out by obtaining demand fragility curves. Non-linear model was constructed and time-history analysis was performed using thirty five pairs of horizontal ground motions selected to match site specific hazard. In performance based analysis, peak column drift ratio (CDR) was selected as engineering demand parameter (EDP). For seismic intensity measure (IM) spectral displacement was selected. Demand fragility curves that give probability of exceedance of certain value for chosen EDP were constructed and based on them conclusions were made.

Keywords: RC curved bridge, demand fragility curve, wall type column, nonlinear time-history analysis, circular column

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Authors: Kosutic Milenko, Filipovic Jelena

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Cereals constitute the staple food of the human race. In accordance with the modern nutritionist opinions, cereal products, flakes and snack products are the most common foods in the daily diet, such as ready to eat breakfast cereal, flakes, and snacks. Extrusion technology makes it possible to apply different sources of ingredients for the enrichment of cereal-based flakes or snacks products. Substances with strong antioxidant properties such as wild oregano have a positive impact on human health, therefore attracting the attention of scientists, consumers and food industry experts. This paper investigates the effects of simultaneous addition of dry residue of wild oregano (0.5% and 1%), on the physical and colour properties of corn flakes to obtain new products with altered nutritional properties. Post-hoc Tukey’s HSD test at 95% confidence limit showed significant differences between various samples. Addition of dry residue wild oregano positively influenced physical characteristics (decreased bulk density 30.2%, increased expansion rate 44.9%), influenced of decrease hardness 38.1% and work of compression 40.3% also significantly change the color of flakes product. Presented data point that investigated corn flakes is a new product with good physical and sensory properties due to higher level of dry residue of wild oregano.

Keywords: flakes product, wild oregano, phisical properties, colour, sensory properties

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Authors: Strahinja Kovačević, Sanja Podunavac-Kuzmanović, Lidija Jevrić, Cristina Prandi, Piermichele Kobauri

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The present study is based on molecular modeling of a series of twelve 5-(4-substituent-phenoxy)-3-methylfuran-2(5H)-one derivatives which have potential of strigolactones mimics toward Striga hermonthica. The first step of the analysis included the calculation of molecular descriptors which numerically describe the structures of the analyzed compounds. The descriptors ALOGP (lipophilicity), AClogS (water solubility) and BBB (blood-brain barrier penetration), served as the input variables in multiple linear regression (MLR) modeling of germination activity toward S. hermonthica. Two MLR models were obtained. The first MLR model contains ALOGP and AClogS descriptors, while the second one is based on these two descriptors plus BBB descriptor. Despite the braking Topliss-Costello rule in the second MLR model, it has much better statistical and cross-validation characteristics than the first one. The ALOGP and AClogS descriptors are often very suitable predictors of the biological activity of many compounds. They are very important descriptors of the biological behavior and availability of a compound in any biological system (i.e. the ability to pass through the cell membranes). BBB descriptor defines the ability of a molecule to pass through the blood-brain barrier. Besides the lipophilicity of a compound, this descriptor carries the information of the molecular bulkiness (its value strongly depends on molecular bulkiness). According to the obtained results of MLR modeling, these three descriptors are considered as very good predictors of germination activity of the analyzed compounds toward S. hermonthica seeds. This article is based upon work from COST Action (FA1206), supported by COST (European Cooperation in Science and Technology).

Keywords: chemometrics, germination activity, molecular modeling, QSAR analysis, strigolactones

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Authors: Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević, Lidija R. Jevrić

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Prion is a protein substance whose certain form is considered as infectious agent. It is presumed to be the cause of the transmissible spongiform encephalopathies (TSEs). The protein it is composed of, called PrP, can fold in structurally distinct ways. At least one of those 3D structures is transmissible to other prion proteins. Prions can be found in brain tissue of healthy people and have certain biological role. The structure of prions naturally occurring in healthy organisms is marked as PrPc, and the structure of infectious prion is labeled as PrPSc. PrPc may play a role in synaptic plasticity and neuronal development. Also, it may be required for neuronal myelin sheath maintenance, including a role in iron uptake and iron homeostasis. PrPSc can be considered as an environmental pollutant. The main aim of this study was to carry out the molecular modeling and calculation of molecular descriptors (lipophilicity, physico-chemical and topological descriptors) of structurally diverse compounds which can be considered as anti-prion agents. Molecular modeling was conducted applying ChemBio3D Ultra version 12.0 software. The obtained 3D models were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. The Austin Model 1 (AM-1) was used for full geometry optimization of all structures. The obtained set of molecular descriptors is applied in analysis of similarities and dissimilarities among the tested compounds. This study is an important step in further development of quantitative structure-activity relationship (QSAR) models, which can be used for prediction of anti-prion activity of newly synthesized compounds.

Keywords: chemometrics, molecular modeling, molecular descriptors, prions, QSAR

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Authors: Svetlana Ignatjeva, Jelena Slesareva

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The aim of the study is development and adaptation of the method to analyze and quantify the indicators characterizing the relationship between a company and its employees. Diagnostics of such indicators is one of the most complex and actual issues in psychology of labour. The offered method is based on the questionnaire; its indicators reflect cognitive, affective and connotative components of socio-psychological attitude of employees to be as efficient as possible in their professional activities. This approach allows measure not only the selected factors but also such parameters as cognitive and behavioural dissonances. Adaptation of the questionnaire includes factor structure analysis and suitability analysis of phenomena indicators measured in terms of internal consistency of individual factors. Structural validity of the questionnaire was tested by exploratory factor analysis. Extraction Method: Principal Component Analysis. Rotation Method: Varimax with Kaiser Normalization. Factor analysis allows reduce dimension of the phenomena moving from the indicators to aggregative indexes and latent variables. Aggregative indexes are obtained as the sum of relevant indicators followed by standardization. The coefficient Cronbach's Alpha was used to assess the reliability-consistency of the questionnaire items. The two-step cluster analysis in the space of allocated factors allows classify employees according to their attitude to work in the company. The results of psychometric testing indicate possibility of using the developed technique for the analysis of employees’ attitude towards their work in companies and development of recommendations on their optimization.

Keywords: involved in the organization, loyalty, organizations, method

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Authors: Jelena Vulić, Jasna Čanadanović-Brunet, Gordana Ćetković, Sonja Djilas, Vesna Tumbas Šaponjac

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Caneberries (raspberries and blackberries) are among the most popular berries in the world, which are consumed as fresh and processed to juice, jams, confitures and other products or as ingredients for different foods. These fruits are known as a rich source of phenolic compounds such as phenolic acids and anthocyanins. Antioxidant activity (AA) of caneberry juices was improved by addition of phenolic compounds which were extracted from two raspberry cultivars (Rubus idaeus, cv. 'Willamette' (RW) and 'Meeker' (RM)) and two blackberry cultivars (Rubus fruticosus, cv. 'Čačanka' (BC) and 'Thornfree' (BT)) pomace, a by-product in juice processing. The total phenolic contents in raspberry and blackberry pomace extracts were determined spectrophotometrically using the Folin-Ciocalteu reagens. The phenolic concentrations in caneberries (RW, RM, BC and BT) pomace extracts were 43.67 ± 2.13 mg GAE/g, 26.25 ± 1.18 mg GAE/g, 46.01 ± 3.26 mg GAE/g and 61.59 ± 1.14 mg GAE/g, respectively. In order to obtain enriched juices, phenolic compounds were applied at concentration of 0.05 mg GAE/ 100 ml. Antioxidant activities of caneberry juices and caneberry enriched juices were measured using stable 1.1-diphenyl-2-picrylhydrazyl (DPPH) radicals. AADPPH of RW, RM, BC and BT juices and enriched juices with addition of 0.01 µg GAE/ml, changed from 37.12% to 93.01%, 23.26% to 91.57%, 53.61% to 95.65% and 52.06% to 93.13%, respectively, while IC50 values of RW, RM, BC and BT juices and enriched juices were diminished 6.33, 19.00, 6.33 and 4.75 times, respectively. Based on the obtained results it can be concluded that phenolic enriched juices were significantly more effective on DPPH radicals. Caneberry juices enriched with waste material are a good source of natural pigments and antioxidants and could be used as functional foods.

Keywords: caneberry, enriched juice, phenolic antioxidant, DPPH radical

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Authors: Kiurski S. Jelena, Kecić S. Vesna, Aksentijević M. Snežana

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Samples of tap and wastewater were collected in three offset printing facilities in Novi Sad, Serbia. Ten physicochemical parameters were analyzed within all collected samples: pH, conductivity, m - alkalinity, p - alkalinity, acidity, carbonate concentration, hydrogen carbonate concentration, active oxygen content, chloride concentration and total alkali content. All measurements were conducted using the standard analytical and instrumental methods. Comparing the obtained results for tap water and wastewater, a clear quality difference was noticeable, since all physicochemical parameters were significantly higher within wastewater samples. The study also involves the application of simple linear regression analysis on the obtained dataset. By using software package ORIGIN 5 the pH value was mutually correlated with other physicochemical parameters. Based on the obtained values of Pearson coefficient of determination a strong positive correlation between chloride concentration and pH (r = -0.943), as well as between acidity and pH (r = -0.855) was determined. In addition, statistically significant difference was obtained only between acidity and chloride concentration with pH values, since the values of parameter F (247.634 and 182.536) were higher than F_critical (5.59). In this way, results of statistical analysis highlighted the most influential parameter of water contamination in offset printing, in the form of acidity and chloride concentration. The results showed that variable dependence could be represented by the general regression model: y = a₀ + a₁x+ k, which further resulted with matching graphic regressions.

Keywords: pollution, printing industry, simple linear regression analysis, wastewater

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Authors: Jelena Slugan, Ivica Ružić

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We are witnessing the rapid development of technologies that change the world around us. However, curriculums and teaching processes are often slow to adapt to the change; it takes time, money and expertise to implement technology in the classroom. Therefore, the University of Split, Croatia, partnered with local school Marko Marulić High School and created the project "Modern competence in modern high schools" as part of which five different curriculums for STEM areas were developed. One of the curriculums involves combining information technology with physics. The main idea was to teach students how to use different circuits and microcomputers to explore nature and physical phenomena. As a result, using electrical circuits, students are able to recreate in the classroom the phenomena that they observe every day in their environment. So far, high school students had very little opportunity to perform experiments independently, and especially, those physics experiment did not involve ICT. Therefore, this project has a great importance, because the students will finally get a chance to develop themselves in accordance to modern technologies. This paper presents some new methods of teaching physics that will help students to develop experimental skills through the study of deterministic nature of physical laws. Students will learn how to formulate hypotheses, model physical problems using the electronic circuits and evaluate their results. While doing that, they will also acquire useful problem solving skills.

Keywords: ICT in physics, curriculum, laboratory activities, STEM (science, technology, engineering, mathematics)

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Authors: Kiurski S. Jelena, Aksentijević M. Snežana, Kecić S. Vesna, Oros B. Ivana

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The prosperity of electronic equipment in photocopying environment not only has improved work efficiency, but also has changed indoor air quality. Considering the number of photocopying employed, indoor air quality might be worse than in general office environments. Determining the contribution from any type of equipment to indoor air pollution is a complex matter. Non-methane hydrocarbons are known to have an important role of air quality due to their high reactivity. The presence of hazardous pollutants in indoor air has been detected in one photocopying shop in Novi Sad, Serbia. Air samples were collected and analyzed for five days, during 8-hr working time in three-time intervals, whereas three different sampling points were determined. Using multiple linear regression model and software package STATISTICA 10 the concentrations of occupational hazards and micro-climates parameters were mutually correlated. Based on the obtained multiple coefficients of determination (0.3751, 0.2389, and 0.1975), a weak positive correlation between the observed variables was determined. Small values of parameter F indicated that there was no statistically significant difference between the concentration levels of non-methane hydrocarbons and micro-climates parameters. The results showed that variable could be presented by the general regression model: y = b0 + b1xi1+ b2xi2. Obtained regression equations allow to measure the quantitative agreement between the variation of variables and thus obtain more accurate knowledge of their mutual relations.

Keywords: non-methane hydrocarbons, photocopying process, multiple regression analysis, indoor air quality, pollutant emission

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Authors: Jelena S. Kiurski, Vesna S. Kecić, Snežana M. Aksentijević

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The identification and evaluation of organic and inorganic pollutants were performed in a flexographic facility in Novi Sad, Serbia. Air samples were collected and analyzed in situ, during 4-hours working time at five sampling points by the mobile gas chromatograph and ozonometer at the printing of collagen casing. Experimental results showed that the concentrations of isopropyl alcohol, acetone, total volatile organic compounds and ozone varied during the sampling times. The highest average concentrations of 94.80 ppm and 102.57 ppm were achieved at 200 minutes from starting the production for isopropyl alcohol and total volatile organic compounds, respectively. The mutual dependences between target hazardous and microclimate parameters were confirmed using a multiple linear regression model with software package STATISTICA 10. Obtained multiple coefficients of determination in the case of ozone and acetone (0.507 and 0.589) with microclimate parameters indicated a moderate correlation between the observed variables. However, a strong positive correlation was obtained for isopropyl alcohol and total volatile organic compounds (0.760 and 0.852) with microclimate parameters. Higher values of parameter F than F_critical for all examined dependences indicated the existence of statistically significant difference between the concentration levels of target pollutants and microclimates parameters. Given that, the microclimate parameters significantly affect the emission of investigated gases and the application of eco-friendly materials in production process present a necessity.

Keywords: flexographic printing, indoor air, multiple regression analysis, pollution emission

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Authors: Strahinja Kovacevic, Milica Karadzic Banjac, Jasmina Vitas, Stefan Vukmanovic, Radomir Malbasa, Lidija Jevric, Sanja Podunavac-Kuzmanovic

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The present study deals with chemometric regression analysis of quality parameters and the radical scavenging ability of kombucha fermented kefir-like products obtained with winter savory (WS), peppermint (P), stinging nettle (SN) and wild thyme tea (WT) kombucha inoculums. Each analyzed sample was described by milk fat content (MF, %), total unsaturated fatty acids content (TUFA, %), monounsaturated fatty acids content (MUFA, %), polyunsaturated fatty acids content (PUFA, %), the ability of free radicals scavenging (RSA Dₚₚₕ, % and RSA.ₒₕ, %) and pH values measured after each hour from the start until the end of fermentation. The aim of the conducted regression analysis was to establish chemometric models which can predict the radical scavenging ability (RSA Dₚₚₕ, % and RSA.ₒₕ, %) of the samples by correlating it with the MF, TUFA, MUFA, PUFA and the pH value at the beginning, in the middle and at the end of fermentation process which lasted between 11 and 17 hours, until pH value of 4.5 was reached. The analysis was carried out applying univariate linear (ULR) and multiple linear regression (MLR) methods on the raw data and the data standardized by the min-max normalization method. The obtained models were characterized by very limited prediction power (poor cross-validation parameters) and weak statistical characteristics. Based on the conducted analysis it can be concluded that the resulting radical scavenging ability cannot be precisely predicted only on the basis of MF, TUFA, MUFA, PUFA content, and pH values, however, other quality parameters should be considered and included in the further modeling. This study is based upon work from project: Kombucha beverages production using alternative substrates from the territory of the Autonomous Province of Vojvodina, 142-451-2400/2019-03, supported by Provincial Secretariat for Higher Education and Scientific Research of AP Vojvodina.

Keywords: chemometrics, regression analysis, kombucha, quality control

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Authors: Lidija R. Jevrić, Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević

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Quantitative structure-retention relationship (QSRR) analysis was used to predict the chromatographic behavior of s-triazine derivatives by using theoretical descriptors computed from the chemical structure. Fundamental basis of the reported investigation is to relate molecular topological descriptors with chromatographic behavior of s-triazine derivatives obtained by reversed-phase (RP) thin layer chromatography (TLC) on silica gel impregnated with paraffin oil and applied ethanol-water (φ = 0.5-0.8; v/v). Retention parameter (RM0) of 14 investigated s-triazine derivatives was used as dependent variable while simple connectivity index different orders were used as independent variables. The best QSRR model for predicting RM0 value was obtained with simple third order connectivity index (3χ) in the second-degree polynomial equation. Numerical values of the correlation coefficient (r=0.915), Fisher's value (F=28.34) and root mean square error (RMSE = 0.36) indicate that model is statistically significant. In order to test the predictive power of the QSRR model leave-one-out cross-validation technique has been applied. The parameters of the internal cross-validation analysis (r2CV=0.79, r2adj=0.81, PRESS=1.89) reflect the high predictive ability of the generated model and it confirms that can be used to predict RM0 value. Multivariate classification technique, hierarchical cluster analysis (HCA), has been applied in order to group molecules according to their molecular connectivity indices. HCA is a descriptive statistical method and it is the most frequently used for important area of data processing such is classification. The HCA performed on simple molecular connectivity indices obtained from the 2D structure of investigated s-triazine compounds resulted in two main clusters in which compounds molecules were grouped according to the number of atoms in the molecule. This is in agreement with the fact that these descriptors were calculated on the basis of the number of atoms in the molecule of the investigated s-triazine derivatives.

Keywords: s-triazines, QSRR, chemometrics, chromatography, molecular descriptors

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Authors: Jelena Riznić

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Sexual violence is a social fact that is both ubiquitous and invisible. From the myth of Medusa and Lucretia, through legends about sexual violence in war conflicts, to Hollywood films and other productions — sexual violence exists as a motive, implicitly or explicitly. Many Hollywood films contain a scene of rape, and the media is increasingly reporting on cases of sexual violence, often not following the guidelines for sensitized and ethical reporting. On the other hand, sexual violence remains an invisible phenomenon if we are talking from the perspective of the survivors. Only the wave of women's testimonies that flooded social networks after the #MeToo campaign in 2017 pointed to the prevalence and to the existing ideas about sexual violence that persist at the level of myths in society, but also through formal norms in the hearing of justice systems. The problem is also in the way rape is defined in the criminal codes of different countries, and all of this affects the reproduction of sexual violence. Precisely because it is a deeply intimate experience of violence, but also a structural problem; on the other hand, understanding sexual violence requires sociological imagination. Accordingly, the subject of this paper is the presentation and analysis of various discourses on sexual violence throughout history — pre/anti-feminist, feminist and criminal law, with particular reference to the situation in Serbia. The paper uses a critical review and comparative analysis of various sources on sexual violence, as well as an analysis of the impact of these sources on the modern legal framework that regulates sexual violence. Research has shown that despite feminist contributions, myths about sexual violence persist and influence the treatment of women who have survived violence in criminal systems and society in general.

Keywords: sexual violence, gender-based violence, MeToo campaign, feminism, Serbia

Procedia PDF Downloads 55