TY  - JOUR
AU  - Salaković, Benjamin
AU  - Kovačević, Strahinja
AU  - Karadžić Banjac, Milica
AU  - Jevrić, Lidija
AU  - Podunavac-Kuzmanović, Sanja
AU  - Antonović, Dušan
PY  - 2022
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5870
AB  - In the present paper, the chemometric analysis, ranking and selection of the most suitable in silico lipophilicity parameters of eight alkyl and cycloalkyl s-triazine derivatives were carried out. The lipophilicity parameters were calculated using various computational approaches and computer programs. The conducted analysis is the basis for further studies aimed to define, compare and examine the influence of alkyl and cycloalkyl substituents, introduced in 6-chloro-1,3,5-triazine-2,4-diamine structure, on molecular lipophilicity and bioactivity. The chemometric methods used in the study are pattern recognition methods, such as hierarchical cluster analysis (HCA) and sum of ranking differences (SRD). The obtained ranking results indicate that the following in silico lipophilicity descriptors can be chosen as the most suitable for interpretation of lipophilicity of the studied series of s-triazine derivatives: AlogP, MlogP, WLOGP, logPKLOP and logPPHYS. The lipophilicity descriptor iLOGP was marked as the least suitable lipophilicity descriptor of the studied series of compounds. The ranking results were validated by 7-fold cross-validation approach and by comparison of ranks by random numbers (CRRN).
PB  - University of Novi Sad, Faculty of Technology
T2  - Acta Periodica Technologica
T1  - COMPARATIVE CHEMOMETRIC ANALYSIS, RANKING AND SELECTION OF LIPOPHILICITY PARAMETERS OF 6-CHLORO-1,3,5-TRIAZINE DERIVATIVES WITH ACYCLIC AND CYCLIC SUBSTITUENTS
EP  - 99
SP  - 88
VL  - 53
DO  - 10.2298/APT2253088S
ER  - 

@article{
author = "Salaković, Benjamin and Kovačević, Strahinja and Karadžić Banjac, Milica and Jevrić, Lidija and Podunavac-Kuzmanović, Sanja and Antonović, Dušan",
year = "2022",
abstract = "In the present paper, the chemometric analysis, ranking and selection of the most suitable in silico lipophilicity parameters of eight alkyl and cycloalkyl s-triazine derivatives were carried out. The lipophilicity parameters were calculated using various computational approaches and computer programs. The conducted analysis is the basis for further studies aimed to define, compare and examine the influence of alkyl and cycloalkyl substituents, introduced in 6-chloro-1,3,5-triazine-2,4-diamine structure, on molecular lipophilicity and bioactivity. The chemometric methods used in the study are pattern recognition methods, such as hierarchical cluster analysis (HCA) and sum of ranking differences (SRD). The obtained ranking results indicate that the following in silico lipophilicity descriptors can be chosen as the most suitable for interpretation of lipophilicity of the studied series of s-triazine derivatives: AlogP, MlogP, WLOGP, logPKLOP and logPPHYS. The lipophilicity descriptor iLOGP was marked as the least suitable lipophilicity descriptor of the studied series of compounds. The ranking results were validated by 7-fold cross-validation approach and by comparison of ranks by random numbers (CRRN).",
publisher = "University of Novi Sad, Faculty of Technology",
journal = "Acta Periodica Technologica",
title = "COMPARATIVE CHEMOMETRIC ANALYSIS, RANKING AND SELECTION OF LIPOPHILICITY PARAMETERS OF 6-CHLORO-1,3,5-TRIAZINE DERIVATIVES WITH ACYCLIC AND CYCLIC SUBSTITUENTS",
pages = "99-88",
volume = "53",
doi = "10.2298/APT2253088S"
}

Salaković, B., Kovačević, S., Karadžić Banjac, M., Jevrić, L., Podunavac-Kuzmanović, S.,& Antonović, D.. (2022). COMPARATIVE CHEMOMETRIC ANALYSIS, RANKING AND SELECTION OF LIPOPHILICITY PARAMETERS OF 6-CHLORO-1,3,5-TRIAZINE DERIVATIVES WITH ACYCLIC AND CYCLIC SUBSTITUENTS. in Acta Periodica Technologica
University of Novi Sad, Faculty of Technology., 53, 88-99.
https://doi.org/10.2298/APT2253088S

Salaković B, Kovačević S, Karadžić Banjac M, Jevrić L, Podunavac-Kuzmanović S, Antonović D. COMPARATIVE CHEMOMETRIC ANALYSIS, RANKING AND SELECTION OF LIPOPHILICITY PARAMETERS OF 6-CHLORO-1,3,5-TRIAZINE DERIVATIVES WITH ACYCLIC AND CYCLIC SUBSTITUENTS. in Acta Periodica Technologica. 2022;53:88-99.
doi:10.2298/APT2253088S .

Salaković, Benjamin, Kovačević, Strahinja, Karadžić Banjac, Milica, Jevrić, Lidija, Podunavac-Kuzmanović, Sanja, Antonović, Dušan, "COMPARATIVE CHEMOMETRIC ANALYSIS, RANKING AND SELECTION OF LIPOPHILICITY PARAMETERS OF 6-CHLORO-1,3,5-TRIAZINE DERIVATIVES WITH ACYCLIC AND CYCLIC SUBSTITUENTS" in Acta Periodica Technologica, 53 (2022):88-99,
https://doi.org/10.2298/APT2253088S . .

TY  - JOUR
AU  - Jevrić, Lidija R.
AU  - Koprivica, Gordana B.
AU  - Mišljenović, Nevena M.
AU  - Tepić, Aleksandra N.
AU  - Kuljanin, Tatjana A.
AU  - Jovanović, Bratislav Ž.
PY  - 2011
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5642
AB  - In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.
PB  - Univerzitet u Novom Sadu
T2  - Acta Periodica Technologica
T1  - Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors
EP  - 239
SP  - 231
VL  - 42
DO  - 10.2298/APT1142231J
ER  - 

@article{
author = "Jevrić, Lidija R. and Koprivica, Gordana B. and Mišljenović, Nevena M. and Tepić, Aleksandra N. and Kuljanin, Tatjana A. and Jovanović, Bratislav Ž.",
year = "2011",
abstract = "In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.",
publisher = "Univerzitet u Novom Sadu",
journal = "Acta Periodica Technologica",
title = "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors",
pages = "239-231",
volume = "42",
doi = "10.2298/APT1142231J"
}

Jevrić, L. R., Koprivica, G. B., Mišljenović, N. M., Tepić, A. N., Kuljanin, T. A.,& Jovanović, B. Ž.. (2011). Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica
Univerzitet u Novom Sadu., 42, 231-239.
https://doi.org/10.2298/APT1142231J

Jevrić LR, Koprivica GB, Mišljenović NM, Tepić AN, Kuljanin TA, Jovanović BŽ. Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica. 2011;42:231-239.
doi:10.2298/APT1142231J .

Jevrić, Lidija R., Koprivica, Gordana B., Mišljenović, Nevena M., Tepić, Aleksandra N., Kuljanin, Tatjana A., Jovanović, Bratislav Ž., "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors" in Acta Periodica Technologica, 42 (2011):231-239,
https://doi.org/10.2298/APT1142231J . .

TY  - JOUR
AU  - Jevrić, Lidija R.
AU  - Koprivica, Gordana B.
AU  - Mišljenović, Nevena M.
AU  - Jovanović, Bratislav Ž.
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5599
AB  - The chromatographic behavior of four group of s-triazine derivatives (14 compounds) has been studied by TLC on silica gel impregnated with paraffin oil. Retention mechanism has been determined using the following mobile phases: water-acetone, water-acetonitrile, water-dioxane, water-tetrahydrofuran, water-methanol and water-ethanol, by changing the volume fraction of modifier in the mobile phase. On impregnated silica gel, a reversed-phase chromatographic process occurs. Good correlation was obtained between the retention constants, RMθ (determined by linear extrapolation), and slope, S, of chromatographic equations. There was also satisfactory correlation between these retention constants and logP values calculated using different theoretical methods. The study showed that the retention constants can be used as a measure of lipophilicity of investigated compounds.
PB  - Univerzitet u Novom Sadu
T2  - Acta Periodica Technologica
T1  - Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil
EP  - 168
SP  - 159
VL  - 41
DO  - 10.2298/APT1041159J
ER  - 

@article{
author = "Jevrić, Lidija R. and Koprivica, Gordana B. and Mišljenović, Nevena M. and Jovanović, Bratislav Ž.",
year = "2010",
abstract = "The chromatographic behavior of four group of s-triazine derivatives (14 compounds) has been studied by TLC on silica gel impregnated with paraffin oil. Retention mechanism has been determined using the following mobile phases: water-acetone, water-acetonitrile, water-dioxane, water-tetrahydrofuran, water-methanol and water-ethanol, by changing the volume fraction of modifier in the mobile phase. On impregnated silica gel, a reversed-phase chromatographic process occurs. Good correlation was obtained between the retention constants, RMθ (determined by linear extrapolation), and slope, S, of chromatographic equations. There was also satisfactory correlation between these retention constants and logP values calculated using different theoretical methods. The study showed that the retention constants can be used as a measure of lipophilicity of investigated compounds.",
publisher = "Univerzitet u Novom Sadu",
journal = "Acta Periodica Technologica",
title = "Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil",
pages = "168-159",
volume = "41",
doi = "10.2298/APT1041159J"
}

Jevrić, L. R., Koprivica, G. B., Mišljenović, N. M.,& Jovanović, B. Ž.. (2010). Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil. in Acta Periodica Technologica
Univerzitet u Novom Sadu., 41, 159-168.
https://doi.org/10.2298/APT1041159J

Jevrić LR, Koprivica GB, Mišljenović NM, Jovanović BŽ. Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil. in Acta Periodica Technologica. 2010;41:159-168.
doi:10.2298/APT1041159J .

Jevrić, Lidija R., Koprivica, Gordana B., Mišljenović, Nevena M., Jovanović, Bratislav Ž., "Chromatographic behavior and lipophilicity of s-triazine derivatives on silica gel impregnated with paraffin oil" in Acta Periodica Technologica, 41 (2010):159-168,
https://doi.org/10.2298/APT1041159J . .

TY  - JOUR
AU  - Perišić-Janjić, Nada U.
AU  - Djaković-Sekulić, Tatjana Lj.
AU  - Jevrić, Lidija R.
AU  - Jovanović, Bratislav Ž.
PY  - 2005
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5510
AB  - Quantitative structure-retention relationships (QSRR) have been used to study the chromatographic behavior of some s-triazines. Retention factors, RM0, on C18 layers corresponding to zero percent organic modifier in the aqueous mobile phase were determined for five mobile phase mixtures: methanol-water, acetone-water, acetonitrile-water, 2-propanol-water, and tetrahydrofuran-water and relationships between RM 0 values obtained with different organic mobile phase modifiers were examined. A variety of partition coefficients (Alog P, IAlog P, Clog P, Xlog P, log PKowin, and ACDlog P) were calculated by use of different software products. The correlation between partition coefficients and chromatographically obtained lipophilicity was analyzed. On the basis of correlations between RM0 and log P, C18 with methanol-water as mobile phase was selected as the best RP HPTLC system for determination of the octanol/water partition coefficient and thus the lipophilicity of the molecules.
PB  - Akadémiai Kiadó
PB  - Springer
T2  - Journal of Planar Chromatography - Modern TLC
T1  - Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems
EP  - 216
IS  - 103
SP  - 212
VL  - 18
DO  - 10.1556/JPC.18.2005.3.8
ER  - 

@article{
author = "Perišić-Janjić, Nada U. and Djaković-Sekulić, Tatjana Lj. and Jevrić, Lidija R. and Jovanović, Bratislav Ž.",
year = "2005",
abstract = "Quantitative structure-retention relationships (QSRR) have been used to study the chromatographic behavior of some s-triazines. Retention factors, RM0, on C18 layers corresponding to zero percent organic modifier in the aqueous mobile phase were determined for five mobile phase mixtures: methanol-water, acetone-water, acetonitrile-water, 2-propanol-water, and tetrahydrofuran-water and relationships between RM 0 values obtained with different organic mobile phase modifiers were examined. A variety of partition coefficients (Alog P, IAlog P, Clog P, Xlog P, log PKowin, and ACDlog P) were calculated by use of different software products. The correlation between partition coefficients and chromatographically obtained lipophilicity was analyzed. On the basis of correlations between RM0 and log P, C18 with methanol-water as mobile phase was selected as the best RP HPTLC system for determination of the octanol/water partition coefficient and thus the lipophilicity of the molecules.",
publisher = "Akadémiai Kiadó, Springer",
journal = "Journal of Planar Chromatography - Modern TLC",
title = "Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems",
pages = "216-212",
number = "103",
volume = "18",
doi = "10.1556/JPC.18.2005.3.8"
}

Perišić-Janjić, N. U., Djaković-Sekulić, T. Lj., Jevrić, L. R.,& Jovanović, B. Ž.. (2005). Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems. in Journal of Planar Chromatography - Modern TLC
Akadémiai Kiadó., 18(103), 212-216.
https://doi.org/10.1556/JPC.18.2005.3.8

Perišić-Janjić NU, Djaković-Sekulić TL, Jevrić LR, Jovanović BŽ. Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems. in Journal of Planar Chromatography - Modern TLC. 2005;18(103):212-216.
doi:10.1556/JPC.18.2005.3.8 .

Perišić-Janjić, Nada U., Djaković-Sekulić, Tatjana Lj., Jevrić, Lidija R., Jovanović, Bratislav Ž., "Study of quantitative structure-retention relationships for s-triazine derivatives in different RP HPTLC systems" in Journal of Planar Chromatography - Modern TLC, 18, no. 103 (2005):212-216,
https://doi.org/10.1556/JPC.18.2005.3.8 . .