TY  - JOUR
AU  - Antanasijević, Davor
AU  - Antanasijević, Jelena
AU  - Pocajt, Viktor
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3873
AB  - A dataset containing transition temperature values for 243 bent-core liquid crystal (LC) compounds was used to develop quantitative structure property relationship (QSPR) models using only 2D molecular descriptors and general regression neural network (GRNN). Beside a standard analogue GRNN model, another GRNN model with fuzzy digital response was created with the aim to estimate the prediction error for each compound. Two approaches for the selection of most relevant subset of descriptors, namely the partial mutual information (PMI) and self-organizing maps combined with chi square ranking, were also compared. The best results were obtained using analogue GRNN model based on PMI selected subset (R-2 = 0.91), with the mean absolute error (MAE) lower in comparison with previously published corresponding QSPR models. The digital PMI-GRNN model enabled distinction between high and low accurate predictions, i.e. ones with absolute error higher than mean absolute error (MAE) and others with absolute error  lt = MAE, with the accuracy of 81%.
PB  - Pergamon-Elsevier Science Ltd, Oxford
T2  - Engineering Applications of Artificial Intelligence
T1  - Prediction of the transition temperature of bent-core liquid crystals using fuzzy "digital thermometer" model based on artificial neural networks
EP  - 258
SP  - 251
VL  - 71
DO  - 10.1016/j.engappai.2018.03.009
ER  - 

@article{
author = "Antanasijević, Davor and Antanasijević, Jelena and Pocajt, Viktor",
year = "2018",
abstract = "A dataset containing transition temperature values for 243 bent-core liquid crystal (LC) compounds was used to develop quantitative structure property relationship (QSPR) models using only 2D molecular descriptors and general regression neural network (GRNN). Beside a standard analogue GRNN model, another GRNN model with fuzzy digital response was created with the aim to estimate the prediction error for each compound. Two approaches for the selection of most relevant subset of descriptors, namely the partial mutual information (PMI) and self-organizing maps combined with chi square ranking, were also compared. The best results were obtained using analogue GRNN model based on PMI selected subset (R-2 = 0.91), with the mean absolute error (MAE) lower in comparison with previously published corresponding QSPR models. The digital PMI-GRNN model enabled distinction between high and low accurate predictions, i.e. ones with absolute error higher than mean absolute error (MAE) and others with absolute error  lt = MAE, with the accuracy of 81%.",
publisher = "Pergamon-Elsevier Science Ltd, Oxford",
journal = "Engineering Applications of Artificial Intelligence",
title = "Prediction of the transition temperature of bent-core liquid crystals using fuzzy "digital thermometer" model based on artificial neural networks",
pages = "258-251",
volume = "71",
doi = "10.1016/j.engappai.2018.03.009"
}

Antanasijević, D., Antanasijević, J.,& Pocajt, V.. (2018). Prediction of the transition temperature of bent-core liquid crystals using fuzzy "digital thermometer" model based on artificial neural networks. in Engineering Applications of Artificial Intelligence
Pergamon-Elsevier Science Ltd, Oxford., 71, 251-258.
https://doi.org/10.1016/j.engappai.2018.03.009

Antanasijević D, Antanasijević J, Pocajt V. Prediction of the transition temperature of bent-core liquid crystals using fuzzy "digital thermometer" model based on artificial neural networks. in Engineering Applications of Artificial Intelligence. 2018;71:251-258.
doi:10.1016/j.engappai.2018.03.009 .

Antanasijević, Davor, Antanasijević, Jelena, Pocajt, Viktor, "Prediction of the transition temperature of bent-core liquid crystals using fuzzy "digital thermometer" model based on artificial neural networks" in Engineering Applications of Artificial Intelligence, 71 (2018):251-258,
https://doi.org/10.1016/j.engappai.2018.03.009 . .

TY  - JOUR
AU  - Antanasijević, Davor
AU  - Pocajt, Viktor
AU  - Antanasijević, Jelena
AU  - Perić-Grujić, Aleksandra
AU  - Ristić, M.
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3983
AB  - In this paper, a novel self-organizing network (SON) based similarity index and its application for the optimization of sampling locations in an existing river water quality monitoring network (WQMN) is presented. A rationalization of the River Danube WQMN on its stretch through Serbia was performed using the proposed SON2-based similarity index. A high-dimensional dataset was used, which is composed of 18 water quality parameters that were collected during the period 2002-2010 at 17 monitoring locations. The SON-based seasonal classification that divides 12months into the cold, moderate, and warm seasons was employed, whereas its second application on each seasonal class yielded subclasses that were used to compare the monitoring locations. The obtained SON2-based similarity index can be utilized for analysing seasonal variations, as well as overall similarities among neighbouring sites. Based on the calculated similarities of locations and characteristics of the River Danube basin a rationalized WQMN, which uses 30% less monitoring sites, has been proposed.
PB  - Wiley, Hoboken
T2  - River Research and Applications
T1  - A novel SON2-based similarity index and its application for the rationalization of river water quality monitoring network
EP  - 152
IS  - 2
SP  - 144
VL  - 34
DO  - 10.1002/rra.3231
ER  - 

@article{
author = "Antanasijević, Davor and Pocajt, Viktor and Antanasijević, Jelena and Perić-Grujić, Aleksandra and Ristić, M.",
year = "2018",
abstract = "In this paper, a novel self-organizing network (SON) based similarity index and its application for the optimization of sampling locations in an existing river water quality monitoring network (WQMN) is presented. A rationalization of the River Danube WQMN on its stretch through Serbia was performed using the proposed SON2-based similarity index. A high-dimensional dataset was used, which is composed of 18 water quality parameters that were collected during the period 2002-2010 at 17 monitoring locations. The SON-based seasonal classification that divides 12months into the cold, moderate, and warm seasons was employed, whereas its second application on each seasonal class yielded subclasses that were used to compare the monitoring locations. The obtained SON2-based similarity index can be utilized for analysing seasonal variations, as well as overall similarities among neighbouring sites. Based on the calculated similarities of locations and characteristics of the River Danube basin a rationalized WQMN, which uses 30% less monitoring sites, has been proposed.",
publisher = "Wiley, Hoboken",
journal = "River Research and Applications",
title = "A novel SON2-based similarity index and its application for the rationalization of river water quality monitoring network",
pages = "152-144",
number = "2",
volume = "34",
doi = "10.1002/rra.3231"
}

Antanasijević, D., Pocajt, V., Antanasijević, J., Perić-Grujić, A.,& Ristić, M.. (2018). A novel SON2-based similarity index and its application for the rationalization of river water quality monitoring network. in River Research and Applications
Wiley, Hoboken., 34(2), 144-152.
https://doi.org/10.1002/rra.3231

Antanasijević D, Pocajt V, Antanasijević J, Perić-Grujić A, Ristić M. A novel SON2-based similarity index and its application for the rationalization of river water quality monitoring network. in River Research and Applications. 2018;34(2):144-152.
doi:10.1002/rra.3231 .

Antanasijević, Davor, Pocajt, Viktor, Antanasijević, Jelena, Perić-Grujić, Aleksandra, Ristić, M., "A novel SON2-based similarity index and its application for the rationalization of river water quality monitoring network" in River Research and Applications, 34, no. 2 (2018):144-152,
https://doi.org/10.1002/rra.3231 . .

TY  - JOUR
AU  - Lović, Jelena
AU  - Trišović, Nemanja
AU  - Antanasijević, Jelena
AU  - Avramov-Ivić, Milka
PY  - 2018
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/4009
AB  - Electrochemical behavior of sildenafil citrate (SC) at gold and cystein (Cys) modified gold electrode (AulCys) in 0.1 M H2SO4 was investigated by cyclic voltammetry (CV) and by square wave voltammetry (SWV). Effect of scan rate on the CVs of SC standard was performed in order to examine the mode of transport and irreversibility of process. SC as standard is determined by SWV in acid solution at Au electrode in a range: 10(-3), 10(-2) 0.1, 0.5, 1 mu M and on Au/Cys in a range: 10(-3), 10(-2) 0.05, 0.1 mu M. The presence of Cys causes two-time larger peak currents and shifting of the incipient potential of the SC oxidation to 0.1 V in negative direction. In investigated range of concentration of SC standard in acid solution on modified and unmodified Au electrodes SWV method have excellent linear regression coefficient with value 0.997 promoting SWV for reliable determination of SC.
PB  - Int Assoc Physical Chemists-Iapc, Zagreb
T2  - Journal of Electrochemical Science and Engineering
T1  - Electrochemical behaviour of sildenafil citrate at gold and cystein modified gold electrode in acid solution
EP  - 170
IS  - 2
SP  - 163
VL  - 8
DO  - 10.5599/jese.481
ER  - 

@article{
author = "Lović, Jelena and Trišović, Nemanja and Antanasijević, Jelena and Avramov-Ivić, Milka",
year = "2018",
abstract = "Electrochemical behavior of sildenafil citrate (SC) at gold and cystein (Cys) modified gold electrode (AulCys) in 0.1 M H2SO4 was investigated by cyclic voltammetry (CV) and by square wave voltammetry (SWV). Effect of scan rate on the CVs of SC standard was performed in order to examine the mode of transport and irreversibility of process. SC as standard is determined by SWV in acid solution at Au electrode in a range: 10(-3), 10(-2) 0.1, 0.5, 1 mu M and on Au/Cys in a range: 10(-3), 10(-2) 0.05, 0.1 mu M. The presence of Cys causes two-time larger peak currents and shifting of the incipient potential of the SC oxidation to 0.1 V in negative direction. In investigated range of concentration of SC standard in acid solution on modified and unmodified Au electrodes SWV method have excellent linear regression coefficient with value 0.997 promoting SWV for reliable determination of SC.",
publisher = "Int Assoc Physical Chemists-Iapc, Zagreb",
journal = "Journal of Electrochemical Science and Engineering",
title = "Electrochemical behaviour of sildenafil citrate at gold and cystein modified gold electrode in acid solution",
pages = "170-163",
number = "2",
volume = "8",
doi = "10.5599/jese.481"
}

Lović, J., Trišović, N., Antanasijević, J.,& Avramov-Ivić, M.. (2018). Electrochemical behaviour of sildenafil citrate at gold and cystein modified gold electrode in acid solution. in Journal of Electrochemical Science and Engineering
Int Assoc Physical Chemists-Iapc, Zagreb., 8(2), 163-170.
https://doi.org/10.5599/jese.481

Lović J, Trišović N, Antanasijević J, Avramov-Ivić M. Electrochemical behaviour of sildenafil citrate at gold and cystein modified gold electrode in acid solution. in Journal of Electrochemical Science and Engineering. 2018;8(2):163-170.
doi:10.5599/jese.481 .

Lović, Jelena, Trišović, Nemanja, Antanasijević, Jelena, Avramov-Ivić, Milka, "Electrochemical behaviour of sildenafil citrate at gold and cystein modified gold electrode in acid solution" in Journal of Electrochemical Science and Engineering, 8, no. 2 (2018):163-170,
https://doi.org/10.5599/jese.481 . .

TY  - JOUR
AU  - Antanasijević, Davor
AU  - Antanasijević, Jelena
AU  - Trišović, Nemanja
AU  - Ušćumlić, Gordana
AU  - Pocajt, Viktor
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3614
AB  - Succinimides, which contain a pharmacophore responsible for anticonvulsant activity, are frequently used antiepileptic drugs and the synthesis of their new derivatives with improved efficacy and tolerability presents an important task. Nowadays, multitarget/tasking methodologies focused on quantitative-structure activity relationships (mt-QSAR/mtk-QSAR) have an important role in the rational design of drugs since they enable simultaneous prediction of several standard measures of biological activities at diverse experimental conditions and against different biological targets. Relating to this very topic, the mt-QSAR/mtk-QSAR methodology can give only binary classification models, and as such, in this study a regression mtk-QSAR (rmtk-QSAR) model based on a novel modular neural network (MNN) has been proposed. The MNN uses standard classification mtk-QSAR models as input modules, while the regression is performed by the output module. The rmtk-QSAR model has been successfully developed for the simultaneous prediction of anticonvulsant activity and neurotoxicity of succinimides, with a satisfactory accuracy in testing (R-2 = 0.87). Thus, the proposed mtk-QSAR regression method can be regarded as a viable alternative to the standard QSAR methodology.
PB  - Amer Chemical Soc, Washington
T2  - Molecular Pharmaceutics
T1  - From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides
EP  - 4484
IS  - 12
SP  - 4476
VL  - 14
DO  - 10.1021/acs.molpharmaceut.7b00582
ER  - 

@article{
author = "Antanasijević, Davor and Antanasijević, Jelena and Trišović, Nemanja and Ušćumlić, Gordana and Pocajt, Viktor",
year = "2017",
abstract = "Succinimides, which contain a pharmacophore responsible for anticonvulsant activity, are frequently used antiepileptic drugs and the synthesis of their new derivatives with improved efficacy and tolerability presents an important task. Nowadays, multitarget/tasking methodologies focused on quantitative-structure activity relationships (mt-QSAR/mtk-QSAR) have an important role in the rational design of drugs since they enable simultaneous prediction of several standard measures of biological activities at diverse experimental conditions and against different biological targets. Relating to this very topic, the mt-QSAR/mtk-QSAR methodology can give only binary classification models, and as such, in this study a regression mtk-QSAR (rmtk-QSAR) model based on a novel modular neural network (MNN) has been proposed. The MNN uses standard classification mtk-QSAR models as input modules, while the regression is performed by the output module. The rmtk-QSAR model has been successfully developed for the simultaneous prediction of anticonvulsant activity and neurotoxicity of succinimides, with a satisfactory accuracy in testing (R-2 = 0.87). Thus, the proposed mtk-QSAR regression method can be regarded as a viable alternative to the standard QSAR methodology.",
publisher = "Amer Chemical Soc, Washington",
journal = "Molecular Pharmaceutics",
title = "From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides",
pages = "4484-4476",
number = "12",
volume = "14",
doi = "10.1021/acs.molpharmaceut.7b00582"
}

Antanasijević, D., Antanasijević, J., Trišović, N., Ušćumlić, G.,& Pocajt, V.. (2017). From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides. in Molecular Pharmaceutics
Amer Chemical Soc, Washington., 14(12), 4476-4484.
https://doi.org/10.1021/acs.molpharmaceut.7b00582

Antanasijević D, Antanasijević J, Trišović N, Ušćumlić G, Pocajt V. From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides. in Molecular Pharmaceutics. 2017;14(12):4476-4484.
doi:10.1021/acs.molpharmaceut.7b00582 .

Antanasijević, Davor, Antanasijević, Jelena, Trišović, Nemanja, Ušćumlić, Gordana, Pocajt, Viktor, "From Classification to Regression Multitasking QSAR Modeling Using a Novel Modular Neural Network: Simultaneous Prediction of Anticonvulsant Activity and Neurotoxicity of Succinimides" in Molecular Pharmaceutics, 14, no. 12 (2017):4476-4484,
https://doi.org/10.1021/acs.molpharmaceut.7b00582 . .

TY  - JOUR
AU  - Antanasijević, Jelena
AU  - Pocajt, Viktor
AU  - Antanasijević, Davor
AU  - Trišović, Nemanja
AU  - Fodor-Csorba, Katalin
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3284
AB  - Accurate prediction of transition temperature is very helpful for the design of new liquid crystals (LCs) because even small changes in structure can dramatically alter the transition temperature, and therefore the synthesis of LCs should not be governed only by chemical intuition. A quantitative structure-property relationship (QSPR) study was performed on 243 five-ring bent-core LCs in order to predict their clearing temperatures using molecular descriptors. Decision tree and multivariate adaptive regression splines (MARS), techniques well suited for high-dimensional data analysis, were applied to select important descriptors (dimension reduction) and to generate nonlinear models. These techniques were applied both on two-dimensional (2D) descriptors only and on the pool of 2D and 3D descriptors (2& 3D). The obtained QSPR models were tested using 15% of available data, and their performance and ability to generalise were analysed using multiple statistical metrics. The best results for the external test set were obtained using the MARS model created with 2& 3D descriptors, with a high correlation coefficient of r = 0.95 and a root mean squared error of 7.41 K. All metrics suggest that the proposed QSPR model, generated by MARS, is a robust and satisfactorily accurate approach for the prediction of clearing temperatures of bent-core LCs. [GRAPHICS] .
PB  - Taylor & Francis Ltd, Abingdon
T2  - Liquid Crystals
T1  - Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines
EP  - 1037
IS  - 8
SP  - 1028
VL  - 43
DO  - 10.1080/02678292.2016.1155769
ER  - 

@article{
author = "Antanasijević, Jelena and Pocajt, Viktor and Antanasijević, Davor and Trišović, Nemanja and Fodor-Csorba, Katalin",
year = "2016",
abstract = "Accurate prediction of transition temperature is very helpful for the design of new liquid crystals (LCs) because even small changes in structure can dramatically alter the transition temperature, and therefore the synthesis of LCs should not be governed only by chemical intuition. A quantitative structure-property relationship (QSPR) study was performed on 243 five-ring bent-core LCs in order to predict their clearing temperatures using molecular descriptors. Decision tree and multivariate adaptive regression splines (MARS), techniques well suited for high-dimensional data analysis, were applied to select important descriptors (dimension reduction) and to generate nonlinear models. These techniques were applied both on two-dimensional (2D) descriptors only and on the pool of 2D and 3D descriptors (2& 3D). The obtained QSPR models were tested using 15% of available data, and their performance and ability to generalise were analysed using multiple statistical metrics. The best results for the external test set were obtained using the MARS model created with 2& 3D descriptors, with a high correlation coefficient of r = 0.95 and a root mean squared error of 7.41 K. All metrics suggest that the proposed QSPR model, generated by MARS, is a robust and satisfactorily accurate approach for the prediction of clearing temperatures of bent-core LCs. [GRAPHICS] .",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Liquid Crystals",
title = "Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines",
pages = "1037-1028",
number = "8",
volume = "43",
doi = "10.1080/02678292.2016.1155769"
}

Antanasijević, J., Pocajt, V., Antanasijević, D., Trišović, N.,& Fodor-Csorba, K.. (2016). Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines. in Liquid Crystals
Taylor & Francis Ltd, Abingdon., 43(8), 1028-1037.
https://doi.org/10.1080/02678292.2016.1155769

Antanasijević J, Pocajt V, Antanasijević D, Trišović N, Fodor-Csorba K. Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines. in Liquid Crystals. 2016;43(8):1028-1037.
doi:10.1080/02678292.2016.1155769 .

Antanasijević, Jelena, Pocajt, Viktor, Antanasijević, Davor, Trišović, Nemanja, Fodor-Csorba, Katalin, "Prediction of clearing temperatures of bent-core liquid crystals using decision trees and multivariate adaptive regression splines" in Liquid Crystals, 43, no. 8 (2016):1028-1037,
https://doi.org/10.1080/02678292.2016.1155769 . .

TY  - JOUR
AU  - Antanasijević, Davor
AU  - Antanasijević, Jelena
AU  - Pocajt, Viktor
AU  - Ušćumlić, Gordana
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3305
AB  - A novel strategy for the prediction of the transition temperature of bent-core liquid crystals (LCs) based on the combination of multi filter feature selection and group method of data handling (GMDH) type neural networks is reported. An entire set of 243 compounds was randomly divided into a training set of 207 compounds and a test set of 36 compounds. Descriptors were selected from a pool of 2D, and two pools of 2D and 3D ones, optimized by molecular mechanics (MM) and semi-empirical (SE) method. The reduction of the pool of descriptors was performed using multi filters based on chi square and v-WSH algorithm, while the final subset selection was performed by GMDH algorithm during the learning process. The obtained 2D, MM and SE GMDH models have 11, 13 and 16 descriptors, respectively, and demonstrate good generalization and predictive ability (R-2 = 0.92). The final models were subjected to a randomization test for validation purpose. Those models appear to be not only suitable for prediction, but they also allow the identification of key structural features that alter the transition temperature of bent-core LCs.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals
EP  - 99684
IS  - 102
SP  - 99676
VL  - 6
DO  - 10.1039/c6ra15056j
ER  - 

@article{
author = "Antanasijević, Davor and Antanasijević, Jelena and Pocajt, Viktor and Ušćumlić, Gordana",
year = "2016",
abstract = "A novel strategy for the prediction of the transition temperature of bent-core liquid crystals (LCs) based on the combination of multi filter feature selection and group method of data handling (GMDH) type neural networks is reported. An entire set of 243 compounds was randomly divided into a training set of 207 compounds and a test set of 36 compounds. Descriptors were selected from a pool of 2D, and two pools of 2D and 3D ones, optimized by molecular mechanics (MM) and semi-empirical (SE) method. The reduction of the pool of descriptors was performed using multi filters based on chi square and v-WSH algorithm, while the final subset selection was performed by GMDH algorithm during the learning process. The obtained 2D, MM and SE GMDH models have 11, 13 and 16 descriptors, respectively, and demonstrate good generalization and predictive ability (R-2 = 0.92). The final models were subjected to a randomization test for validation purpose. Those models appear to be not only suitable for prediction, but they also allow the identification of key structural features that alter the transition temperature of bent-core LCs.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals",
pages = "99684-99676",
number = "102",
volume = "6",
doi = "10.1039/c6ra15056j"
}

Antanasijević, D., Antanasijević, J., Pocajt, V.,& Ušćumlić, G.. (2016). A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals. in RSC Advances
Royal Society of Chemistry., 6(102), 99676-99684.
https://doi.org/10.1039/c6ra15056j

Antanasijević D, Antanasijević J, Pocajt V, Ušćumlić G. A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals. in RSC Advances. 2016;6(102):99676-99684.
doi:10.1039/c6ra15056j .

Antanasijević, Davor, Antanasijević, Jelena, Pocajt, Viktor, Ušćumlić, Gordana, "A GMDH-type neural network with multi-filter feature selection for the prediction of transition temperatures of bent-core liquid crystals" in RSC Advances, 6, no. 102 (2016):99676-99684,
https://doi.org/10.1039/c6ra15056j . .

TY  - JOUR
AU  - Avramov-Ivić, Milka
AU  - Antanasijević, Jelena
AU  - Trišović, Nemanja
AU  - Antanasijević, Davor
AU  - Lović, Jelena
AU  - Mijin, Dušan
AU  - Petrović, Slobodan
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3358
AB  - The electrochemical behavior of phenobarbital sodium (PBS), paracetamol (PCM) and their binary mixtures was investigated using cyclic voltammetry (CV) and square wave voltammetry (SWV) at a bare gold electrode in a 0.05 M bicarbonate solution. A calibration curve of PBS obtained by SWV had two linear ranges, from 1.0 to 3.0 mu M and from 5.0 to 35.0 mu M with a limit of quantification (LOQ) of 0.62 mu M and a limit of detection (LOD) of 0.19 mu M, while a calibration curve of PCM was determined within the range from 10.0 to 50.0 mu M with a LOQ of 8.53 mu M and a LOD of 2.56 mu M. Both drugs underwent oxidation by irreversible, diffusion controlled process. The SW voltammograms of the drug mixtures produced complex, overlapping profiles and a chemometric method was applied for their decomposition. Two different artificial neural network (ANN) architectures, namely back-propagation neural network (BPNN) and general regression neural network (GRNN) were employed for the simultaneous prediction of the concentrations of the drugs in a synthetic sample. The BPNN model had higher accuracy (mean absolute percentage error values were in the range of 3.6-8.4%) and thus it can be used for the simultaneous determination of PBS and PCM.
PB  - Electrochemical Science Group, Beograd
T2  - International Journal of Electrochemical Science
T1  - A Chemometrical Analysis of Voltammetric Data for Simultaneous Determination of Phenobarbital Sodium and Paracetamol Obtained at a Gold Electrode
EP  - 5951
IS  - 7
SP  - 5935
VL  - 11
DO  - 10.20964/2016.07.48
ER  - 

@article{
author = "Avramov-Ivić, Milka and Antanasijević, Jelena and Trišović, Nemanja and Antanasijević, Davor and Lović, Jelena and Mijin, Dušan and Petrović, Slobodan",
year = "2016",
abstract = "The electrochemical behavior of phenobarbital sodium (PBS), paracetamol (PCM) and their binary mixtures was investigated using cyclic voltammetry (CV) and square wave voltammetry (SWV) at a bare gold electrode in a 0.05 M bicarbonate solution. A calibration curve of PBS obtained by SWV had two linear ranges, from 1.0 to 3.0 mu M and from 5.0 to 35.0 mu M with a limit of quantification (LOQ) of 0.62 mu M and a limit of detection (LOD) of 0.19 mu M, while a calibration curve of PCM was determined within the range from 10.0 to 50.0 mu M with a LOQ of 8.53 mu M and a LOD of 2.56 mu M. Both drugs underwent oxidation by irreversible, diffusion controlled process. The SW voltammograms of the drug mixtures produced complex, overlapping profiles and a chemometric method was applied for their decomposition. Two different artificial neural network (ANN) architectures, namely back-propagation neural network (BPNN) and general regression neural network (GRNN) were employed for the simultaneous prediction of the concentrations of the drugs in a synthetic sample. The BPNN model had higher accuracy (mean absolute percentage error values were in the range of 3.6-8.4%) and thus it can be used for the simultaneous determination of PBS and PCM.",
publisher = "Electrochemical Science Group, Beograd",
journal = "International Journal of Electrochemical Science",
title = "A Chemometrical Analysis of Voltammetric Data for Simultaneous Determination of Phenobarbital Sodium and Paracetamol Obtained at a Gold Electrode",
pages = "5951-5935",
number = "7",
volume = "11",
doi = "10.20964/2016.07.48"
}

Avramov-Ivić, M., Antanasijević, J., Trišović, N., Antanasijević, D., Lović, J., Mijin, D.,& Petrović, S.. (2016). A Chemometrical Analysis of Voltammetric Data for Simultaneous Determination of Phenobarbital Sodium and Paracetamol Obtained at a Gold Electrode. in International Journal of Electrochemical Science
Electrochemical Science Group, Beograd., 11(7), 5935-5951.
https://doi.org/10.20964/2016.07.48

Avramov-Ivić M, Antanasijević J, Trišović N, Antanasijević D, Lović J, Mijin D, Petrović S. A Chemometrical Analysis of Voltammetric Data for Simultaneous Determination of Phenobarbital Sodium and Paracetamol Obtained at a Gold Electrode. in International Journal of Electrochemical Science. 2016;11(7):5935-5951.
doi:10.20964/2016.07.48 .

Avramov-Ivić, Milka, Antanasijević, Jelena, Trišović, Nemanja, Antanasijević, Davor, Lović, Jelena, Mijin, Dušan, Petrović, Slobodan, "A Chemometrical Analysis of Voltammetric Data for Simultaneous Determination of Phenobarbital Sodium and Paracetamol Obtained at a Gold Electrode" in International Journal of Electrochemical Science, 11, no. 7 (2016):5935-5951,
https://doi.org/10.20964/2016.07.48 . .

TY  - JOUR
AU  - Antanasijević, Jelena
AU  - Antanasijević, Davor
AU  - Pocajt, Viktor
AU  - Trišović, Nemanja
AU  - Fodor-Csorba, Katalin
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3392
AB  - Accelerating progress in the discovery of new bent-core liquid crystal (LC) materials with enhanced features relies on the understanding of structure-property relationships that underline the formation of LC phases. The aim of this study was to develop a model for the prediction of LC behaviour of five-ring bent-core systems using a QSPR approach that combines dimension reduction techniques (e.g. genetic algorithms etc.) for the selection of molecular descriptors and decision trees, multivariate adaptive regression splines (MARS) and artificial neural networks (ANN) as classification methods. A total of 27 models based on separate pools of calculated molecular descriptors (2D; 2D and 3D) and published experimental outcomes were evaluated. Overall, the results suggest that the acquired ANN LC classifiers are usable for the prediction of LC behaviour. The best of these models showed high accuracy and precision (91% and 97%). Since the best classifier is able to successfully capture trends in a homologous series, it can be used not only to screen new bent-core structures for potential LCs, but also for the estimation of influence of structural modifications on LC phase formation, as well as for the evaluation of LC phase stability.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks
EP  - 18464
IS  - 22
SP  - 18452
VL  - 6
DO  - 10.1039/c5ra20775d
ER  - 

@article{
author = "Antanasijević, Jelena and Antanasijević, Davor and Pocajt, Viktor and Trišović, Nemanja and Fodor-Csorba, Katalin",
year = "2016",
abstract = "Accelerating progress in the discovery of new bent-core liquid crystal (LC) materials with enhanced features relies on the understanding of structure-property relationships that underline the formation of LC phases. The aim of this study was to develop a model for the prediction of LC behaviour of five-ring bent-core systems using a QSPR approach that combines dimension reduction techniques (e.g. genetic algorithms etc.) for the selection of molecular descriptors and decision trees, multivariate adaptive regression splines (MARS) and artificial neural networks (ANN) as classification methods. A total of 27 models based on separate pools of calculated molecular descriptors (2D; 2D and 3D) and published experimental outcomes were evaluated. Overall, the results suggest that the acquired ANN LC classifiers are usable for the prediction of LC behaviour. The best of these models showed high accuracy and precision (91% and 97%). Since the best classifier is able to successfully capture trends in a homologous series, it can be used not only to screen new bent-core structures for potential LCs, but also for the estimation of influence of structural modifications on LC phase formation, as well as for the evaluation of LC phase stability.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks",
pages = "18464-18452",
number = "22",
volume = "6",
doi = "10.1039/c5ra20775d"
}

Antanasijević, J., Antanasijević, D., Pocajt, V., Trišović, N.,& Fodor-Csorba, K.. (2016). A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks. in RSC Advances
Royal Society of Chemistry., 6(22), 18452-18464.
https://doi.org/10.1039/c5ra20775d

Antanasijević J, Antanasijević D, Pocajt V, Trišović N, Fodor-Csorba K. A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks. in RSC Advances. 2016;6(22):18452-18464.
doi:10.1039/c5ra20775d .

Antanasijević, Jelena, Antanasijević, Davor, Pocajt, Viktor, Trišović, Nemanja, Fodor-Csorba, Katalin, "A QSPR study on the liquid crystallinity of five-ring bent-core molecules using decision trees, MARS and artificial neural networks" in RSC Advances, 6, no. 22 (2016):18452-18464,
https://doi.org/10.1039/c5ra20775d . .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Antanasijević, Jelena
AU  - Rogan, Jelena
AU  - Poleti, Dejan
AU  - Toth-Katona, Tibor
AU  - Salamonczyk, Miroslaw
AU  - Jakli, Antal
AU  - Fodor-Csorba, Katatin
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3243
AB  - In search of novel photoactive liquid crystals, we have synthesized a series of five-ring pyridine-based bent-core compounds bearing different substituents at the peripheral phenyl rings (CH3O, Cl and NO2). Their mesomorphic behaviour has been investigated by polarizing optical microscopy, differential scanning calorimetry and X-ray scattering, and then compared with the unsubstituted parent compound. The introduction of the methoxy groups at the peripheral phenyl rings of the bent core results in a nonmesomorphic compound, whereas the chloro- and nitro-substituted compounds form enantiotropic B1-like phases. Significant changes in the textures and transition temperatures of the mesophase have been observed under UV tight. The present investigation of the mesomorphic properties of the synthesized compounds, coupled with the analysis of the molecular packing of the related three-ring compounds, will help design self-organized molecules suitable for UV indicators.
PB  - Royal Soc Chemistry, Cambridge
T2  - New Journal of Chemistry
T1  - Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens
EP  - 6985
IS  - 8
SP  - 6977
VL  - 40
DO  - 10.1039/c6nj01515h
ER  - 

@article{
author = "Trišović, Nemanja and Antanasijević, Jelena and Rogan, Jelena and Poleti, Dejan and Toth-Katona, Tibor and Salamonczyk, Miroslaw and Jakli, Antal and Fodor-Csorba, Katatin",
year = "2016",
abstract = "In search of novel photoactive liquid crystals, we have synthesized a series of five-ring pyridine-based bent-core compounds bearing different substituents at the peripheral phenyl rings (CH3O, Cl and NO2). Their mesomorphic behaviour has been investigated by polarizing optical microscopy, differential scanning calorimetry and X-ray scattering, and then compared with the unsubstituted parent compound. The introduction of the methoxy groups at the peripheral phenyl rings of the bent core results in a nonmesomorphic compound, whereas the chloro- and nitro-substituted compounds form enantiotropic B1-like phases. Significant changes in the textures and transition temperatures of the mesophase have been observed under UV tight. The present investigation of the mesomorphic properties of the synthesized compounds, coupled with the analysis of the molecular packing of the related three-ring compounds, will help design self-organized molecules suitable for UV indicators.",
publisher = "Royal Soc Chemistry, Cambridge",
journal = "New Journal of Chemistry",
title = "Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens",
pages = "6985-6977",
number = "8",
volume = "40",
doi = "10.1039/c6nj01515h"
}

Trišović, N., Antanasijević, J., Rogan, J., Poleti, D., Toth-Katona, T., Salamonczyk, M., Jakli, A.,& Fodor-Csorba, K.. (2016). Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens. in New Journal of Chemistry
Royal Soc Chemistry, Cambridge., 40(8), 6977-6985.
https://doi.org/10.1039/c6nj01515h

Trišović N, Antanasijević J, Rogan J, Poleti D, Toth-Katona T, Salamonczyk M, Jakli A, Fodor-Csorba K. Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens. in New Journal of Chemistry. 2016;40(8):6977-6985.
doi:10.1039/c6nj01515h .

Trišović, Nemanja, Antanasijević, Jelena, Rogan, Jelena, Poleti, Dejan, Toth-Katona, Tibor, Salamonczyk, Miroslaw, Jakli, Antal, Fodor-Csorba, Katatin, "Investigation of supramolecular architectures of bent-shaped pyridine derivatives: from a three-ring crystalline compound towards five-ring mesogens" in New Journal of Chemistry, 40, no. 8 (2016):6977-6985,
https://doi.org/10.1039/c6nj01515h . .

TY  - JOUR
AU  - Lović, Jelena
AU  - Trišović, Nemanja
AU  - Antanasijević, Jelena
AU  - Nikolić, Nebojša
AU  - Stevanović, Sanja
AU  - Mijin, Dušan
AU  - Vuković, Dragan
AU  - Mladenović, Aleksandar R.
AU  - Petrović, Slobodan
AU  - Avramov-Ivić, Milka
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3312
AB  - Nonmedical use of sildenafil citrate (SC) requires new methods for drug determination in human serum and in tablets. SC as standard and in Sildena (R) tablets is determined by square wave voltammetry (SWV) in 0.1 M H2SO4 (harmful for human serum) at gold electrode in a range: (1 x 10(-3),1 x 10(-2), 0.1, 0.5,1) mu M and on cysteine (Cys) modified gold electrode (Au/Cys) in a range: (1 x 10(-3),1 x 10(-2), 0.05, 0.1) mu M. The presence of Cys causes two times larger peak currents and shifting of the incipient potential of the SC oxidation to 0.1 V in negative direction. A safe procedure for SC determination as standard and in Sildena (R) tablets spiked with human serum is developed by SWV at gold electrode in 0.05 M NaHCO3 (suitable for human liquids) in a range: (1 x 10(-3),1 x 10(-2), 0.1, 0.2, 03) mu M. Microscopic characterization of the surfaces morphology was also performed. The SC concentrations were checked by high performance liquid chromatography-ultraviolet spectroscopy (HPLC-UV) showing that electrochemical method is more sensitive and can be used for the measurements of very low concentrations of the analyte.
PB  - Elsevier Science Sa, Lausanne
T2  - Journal of Electroanalytical Chemistry
T1  - Electrochemical determination of sildenafil citrate as standard, in tablets and spiked with human serum at gold and cystein modified gold electrode
EP  - 107
SP  - 103
VL  - 782
DO  - 10.1016/j.jelechem.2016.10.022
ER  - 

@article{
author = "Lović, Jelena and Trišović, Nemanja and Antanasijević, Jelena and Nikolić, Nebojša and Stevanović, Sanja and Mijin, Dušan and Vuković, Dragan and Mladenović, Aleksandar R. and Petrović, Slobodan and Avramov-Ivić, Milka",
year = "2016",
abstract = "Nonmedical use of sildenafil citrate (SC) requires new methods for drug determination in human serum and in tablets. SC as standard and in Sildena (R) tablets is determined by square wave voltammetry (SWV) in 0.1 M H2SO4 (harmful for human serum) at gold electrode in a range: (1 x 10(-3),1 x 10(-2), 0.1, 0.5,1) mu M and on cysteine (Cys) modified gold electrode (Au/Cys) in a range: (1 x 10(-3),1 x 10(-2), 0.05, 0.1) mu M. The presence of Cys causes two times larger peak currents and shifting of the incipient potential of the SC oxidation to 0.1 V in negative direction. A safe procedure for SC determination as standard and in Sildena (R) tablets spiked with human serum is developed by SWV at gold electrode in 0.05 M NaHCO3 (suitable for human liquids) in a range: (1 x 10(-3),1 x 10(-2), 0.1, 0.2, 03) mu M. Microscopic characterization of the surfaces morphology was also performed. The SC concentrations were checked by high performance liquid chromatography-ultraviolet spectroscopy (HPLC-UV) showing that electrochemical method is more sensitive and can be used for the measurements of very low concentrations of the analyte.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Journal of Electroanalytical Chemistry",
title = "Electrochemical determination of sildenafil citrate as standard, in tablets and spiked with human serum at gold and cystein modified gold electrode",
pages = "107-103",
volume = "782",
doi = "10.1016/j.jelechem.2016.10.022"
}

Lović, J., Trišović, N., Antanasijević, J., Nikolić, N., Stevanović, S., Mijin, D., Vuković, D., Mladenović, A. R., Petrović, S.,& Avramov-Ivić, M.. (2016). Electrochemical determination of sildenafil citrate as standard, in tablets and spiked with human serum at gold and cystein modified gold electrode. in Journal of Electroanalytical Chemistry
Elsevier Science Sa, Lausanne., 782, 103-107.
https://doi.org/10.1016/j.jelechem.2016.10.022

Lović J, Trišović N, Antanasijević J, Nikolić N, Stevanović S, Mijin D, Vuković D, Mladenović AR, Petrović S, Avramov-Ivić M. Electrochemical determination of sildenafil citrate as standard, in tablets and spiked with human serum at gold and cystein modified gold electrode. in Journal of Electroanalytical Chemistry. 2016;782:103-107.
doi:10.1016/j.jelechem.2016.10.022 .

Lović, Jelena, Trišović, Nemanja, Antanasijević, Jelena, Nikolić, Nebojša, Stevanović, Sanja, Mijin, Dušan, Vuković, Dragan, Mladenović, Aleksandar R., Petrović, Slobodan, Avramov-Ivić, Milka, "Electrochemical determination of sildenafil citrate as standard, in tablets and spiked with human serum at gold and cystein modified gold electrode" in Journal of Electroanalytical Chemistry, 782 (2016):103-107,
https://doi.org/10.1016/j.jelechem.2016.10.022 . .

TY  - JOUR
AU  - Trišović, Nemanja
AU  - Antanasijević, Jelena
AU  - Toth-Katona, Tibor
AU  - Kohout, Michal
AU  - Salamonczyk, Miroslaw
AU  - Sprunt, Samuel
AU  - Jakli, Antal
AU  - Fodor-Csorba, Katalin
PY  - 2015
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3111
AB  - A new series of azo-containing bent-core liquid crystals derived from 3-hydroxybenzoic acid has been synthesized. Their mesomorphic properties have been characterized by polarizing optical microscopy, differential scanning calorimetry, small-angle X-ray diffraction and electro-optic studies. Almost all the compounds form an enantiotropic modulated smectic (B-7 type) phase over relatively broad temperature ranges. Structural modifications, such as the type and length of the terminal chains, the rigidity of wings, and the presence of a Cl-substituent in different positions of the bent core, affect the appearance and temperature range, but not the type of the mesophase of the investigated compounds. Light-induced changes in the texture and phase transition of the mesophase, attributed to the decrease of the order parameter due to trans-cis isomerization, have also been observed.
PB  - Royal Society of Chemistry
T2  - RSC Advances
T1  - Azo-containing asymmetric bent-core liquid crystals with modulated smectic phases
EP  - 64891
IS  - 80
SP  - 64886
VL  - 5
DO  - 10.1039/c5ra09764a
ER  - 

@article{
author = "Trišović, Nemanja and Antanasijević, Jelena and Toth-Katona, Tibor and Kohout, Michal and Salamonczyk, Miroslaw and Sprunt, Samuel and Jakli, Antal and Fodor-Csorba, Katalin",
year = "2015",
abstract = "A new series of azo-containing bent-core liquid crystals derived from 3-hydroxybenzoic acid has been synthesized. Their mesomorphic properties have been characterized by polarizing optical microscopy, differential scanning calorimetry, small-angle X-ray diffraction and electro-optic studies. Almost all the compounds form an enantiotropic modulated smectic (B-7 type) phase over relatively broad temperature ranges. Structural modifications, such as the type and length of the terminal chains, the rigidity of wings, and the presence of a Cl-substituent in different positions of the bent core, affect the appearance and temperature range, but not the type of the mesophase of the investigated compounds. Light-induced changes in the texture and phase transition of the mesophase, attributed to the decrease of the order parameter due to trans-cis isomerization, have also been observed.",
publisher = "Royal Society of Chemistry",
journal = "RSC Advances",
title = "Azo-containing asymmetric bent-core liquid crystals with modulated smectic phases",
pages = "64891-64886",
number = "80",
volume = "5",
doi = "10.1039/c5ra09764a"
}

Trišović, N., Antanasijević, J., Toth-Katona, T., Kohout, M., Salamonczyk, M., Sprunt, S., Jakli, A.,& Fodor-Csorba, K.. (2015). Azo-containing asymmetric bent-core liquid crystals with modulated smectic phases. in RSC Advances
Royal Society of Chemistry., 5(80), 64886-64891.
https://doi.org/10.1039/c5ra09764a

Trišović N, Antanasijević J, Toth-Katona T, Kohout M, Salamonczyk M, Sprunt S, Jakli A, Fodor-Csorba K. Azo-containing asymmetric bent-core liquid crystals with modulated smectic phases. in RSC Advances. 2015;5(80):64886-64891.
doi:10.1039/c5ra09764a .

Trišović, Nemanja, Antanasijević, Jelena, Toth-Katona, Tibor, Kohout, Michal, Salamonczyk, Miroslaw, Sprunt, Samuel, Jakli, Antal, Fodor-Csorba, Katalin, "Azo-containing asymmetric bent-core liquid crystals with modulated smectic phases" in RSC Advances, 5, no. 80 (2015):64886-64891,
https://doi.org/10.1039/c5ra09764a . .