TY  - JOUR
AU  - Kovacević, Strahinja
AU  - Karadzić-Banjac, Milica
AU  - Milošević, Nataša
AU  - Curcić, Jelena
AU  - Marjanović, Dunja
AU  - Todorović, Nemanja
AU  - Krmar, Jovana
AU  - Podunavac-Kuzmanović, Sanja
AU  - Banjac, Nebojša
AU  - Ušćumlić, Gordana
PY  - 2020
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5317
AB  - Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in order to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromatographic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by using unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure-Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molecular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.
PB  - Elsevier, Amsterdam
T2  - Journal of Chromatography A
T1  - Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents
VL  - 1628
DO  - 10.1016/j.chroma.2020.461439
ER  - 

@article{
author = "Kovacević, Strahinja and Karadzić-Banjac, Milica and Milošević, Nataša and Curcić, Jelena and Marjanović, Dunja and Todorović, Nemanja and Krmar, Jovana and Podunavac-Kuzmanović, Sanja and Banjac, Nebojša and Ušćumlić, Gordana",
year = "2020",
abstract = "Numerous structurally different amides and imides including succinimide derivatives exhibit diverse bioactive potential. The development of new compounds requires rationalization in the design in order to provide structural changes that guarantee favorable physico-chemical properties, pharmacological activity and safety. In the present research, a comprehensive study with comparison of the chromatographic lipophilicity and other physico-chemical properties of five groups of 1-arylsuccinimide derivatives was conducted. The chemometric analysis of their physico-chemical properties was carried out by using unsupervised (hierarchical cluster analysis and principal component analysis) and supervised pattern recognition methods (linear discriminant analysis), while the correlations between the in silico molecular features and chromatographic lipophilicity were examined applying linear and non-linear Quantitative Structure-Retention Relationship (QSRR) approaches. The main aim of the conducted research was to determine similarities and dissimilarities among the studied 1-arylsuccinimides, to point out the molecular features which have significant influence on their lipophilicity, as well as to establish high-quality QSRR models which can be used in prediction of chromatographic lipophilicity of structurally similar 1-arylsuccinimides. This study is a continuation of analysis and determination of the physico-chemical properties of 1-arylsuccinimides which could be important guidelines in further in vitro and eventually in vivo studies of their biological potential.",
publisher = "Elsevier, Amsterdam",
journal = "Journal of Chromatography A",
title = "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents",
volume = "1628",
doi = "10.1016/j.chroma.2020.461439"
}

Kovacević, S., Karadzić-Banjac, M., Milošević, N., Curcić, J., Marjanović, D., Todorović, N., Krmar, J., Podunavac-Kuzmanović, S., Banjac, N.,& Ušćumlić, G.. (2020). Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A
Elsevier, Amsterdam., 1628.
https://doi.org/10.1016/j.chroma.2020.461439

Kovacević S, Karadzić-Banjac M, Milošević N, Curcić J, Marjanović D, Todorović N, Krmar J, Podunavac-Kuzmanović S, Banjac N, Ušćumlić G. Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents. in Journal of Chromatography A. 2020;1628.
doi:10.1016/j.chroma.2020.461439 .

Kovacević, Strahinja, Karadzić-Banjac, Milica, Milošević, Nataša, Curcić, Jelena, Marjanović, Dunja, Todorović, Nemanja, Krmar, Jovana, Podunavac-Kuzmanović, Sanja, Banjac, Nebojša, Ušćumlić, Gordana, "Comparative chemometric and quantitative structure-retention relationship analysis of anisotropic lipophilicity of 1-arylsuccinimide derivatives determined in high-performance thin-layer chromatography system with aprotic solvents" in Journal of Chromatography A, 1628 (2020),
https://doi.org/10.1016/j.chroma.2020.461439 . .

TY  - JOUR
AU  - Podunavac-Kuzmanović, Sanja
AU  - Jevrić, Lidija
AU  - Svarc-Gajić, Jaroslava
AU  - Kovacević, Strahinja
AU  - Vasiljević, Ivana
AU  - Kecojević, Isidora
AU  - Ivanović, Evica
PY  - 2015
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/3795
AB  - The relationships between the contents of various metals (Cu, Ni, Pb and Al) in different types of chocolates were studied using chemometric approach. Chemometric analysis was based on the application of artificial neural networks (ANN). ANN was performed in order to select the significant models for predicting the metal contents. ANN equations that represent the content of one metal as a function of the contents of other metals were established. The statistical quality of the generated mathematical models was determined by standard statistical measures and cross-validation parameters. High agreement between experimental and predicted values, obtained in the validation procedure, indicated the good quality of the models. The obtained results indicate the possibility of predicting the metal contents in different types of chocolate and define the strong non-linear relationship between metal contents.
PB  - Slovensko Kemijsko Drustvo, Ljubljana
T2  - Acta Chimica Slovenica
T1  - Artificial Neural Network Approach to Modelling of Metal Contents in Different Types of Chocolates
EP  - 195
IS  - 1
SP  - 190
VL  - 62
UR  - https://hdl.handle.net/21.15107/rcub_agrospace_3795
ER  - 

@article{
author = "Podunavac-Kuzmanović, Sanja and Jevrić, Lidija and Svarc-Gajić, Jaroslava and Kovacević, Strahinja and Vasiljević, Ivana and Kecojević, Isidora and Ivanović, Evica",
year = "2015",
abstract = "The relationships between the contents of various metals (Cu, Ni, Pb and Al) in different types of chocolates were studied using chemometric approach. Chemometric analysis was based on the application of artificial neural networks (ANN). ANN was performed in order to select the significant models for predicting the metal contents. ANN equations that represent the content of one metal as a function of the contents of other metals were established. The statistical quality of the generated mathematical models was determined by standard statistical measures and cross-validation parameters. High agreement between experimental and predicted values, obtained in the validation procedure, indicated the good quality of the models. The obtained results indicate the possibility of predicting the metal contents in different types of chocolate and define the strong non-linear relationship between metal contents.",
publisher = "Slovensko Kemijsko Drustvo, Ljubljana",
journal = "Acta Chimica Slovenica",
title = "Artificial Neural Network Approach to Modelling of Metal Contents in Different Types of Chocolates",
pages = "195-190",
number = "1",
volume = "62",
url = "https://hdl.handle.net/21.15107/rcub_agrospace_3795"
}

Podunavac-Kuzmanović, S., Jevrić, L., Svarc-Gajić, J., Kovacević, S., Vasiljević, I., Kecojević, I.,& Ivanović, E.. (2015). Artificial Neural Network Approach to Modelling of Metal Contents in Different Types of Chocolates. in Acta Chimica Slovenica
Slovensko Kemijsko Drustvo, Ljubljana., 62(1), 190-195.
https://hdl.handle.net/21.15107/rcub_agrospace_3795

Podunavac-Kuzmanović S, Jevrić L, Svarc-Gajić J, Kovacević S, Vasiljević I, Kecojević I, Ivanović E. Artificial Neural Network Approach to Modelling of Metal Contents in Different Types of Chocolates. in Acta Chimica Slovenica. 2015;62(1):190-195.
https://hdl.handle.net/21.15107/rcub_agrospace_3795 .

Podunavac-Kuzmanović, Sanja, Jevrić, Lidija, Svarc-Gajić, Jaroslava, Kovacević, Strahinja, Vasiljević, Ivana, Kecojević, Isidora, Ivanović, Evica, "Artificial Neural Network Approach to Modelling of Metal Contents in Different Types of Chocolates" in Acta Chimica Slovenica, 62, no. 1 (2015):190-195,
https://hdl.handle.net/21.15107/rcub_agrospace_3795 .