TY  - JOUR
AU  - Tosti, Tomislav
AU  - Šegan, Sandra
AU  - Milić, Dragana
AU  - Radoičić, Aleksandra D.
AU  - Tešić, Živoslav
AU  - Milojković-Opsenica, Dušanka
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1646
AB  - Unmodified silica gel in combination with two mobile phases, acetone-n-hexane and acetonitrile-dichloromethane, was used in order to evaluate the capability of normal-phase (NP) chromatography on bare silica gel in estimation of lipophilicity of some polyoxygenated steroids. Soczewinski equation coefficients were employed as a measure of lipophilicity. The R-M(0) values obtained in NP-systems were correlated with those derived by extrapolation from reversed-phase (RP) systems. In addition, retention data, i.e., lipophilicity parameters determined in NP systems were compared with logP values calculated by use of several commercial computer programs. The results showed that chromatographic parameters R-M(0), and m obtained in NP system consisted of silica gel as stationary phase and acetone-n-hexane as mobile phase, are acceptable as the measures of lipophilicity of polyoxygenated steroids. The mechanism of retention was discussed.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography
VL  - 38
IS  - 11
SP  - 1097
EP  - 1103
DO  - 10.1080/10826076.2015.1028287
ER  - 

@article{
author = "Tosti, Tomislav and Šegan, Sandra and Milić, Dragana and Radoičić, Aleksandra D. and Tešić, Živoslav and Milojković-Opsenica, Dušanka",
year = "2015",
abstract = "Unmodified silica gel in combination with two mobile phases, acetone-n-hexane and acetonitrile-dichloromethane, was used in order to evaluate the capability of normal-phase (NP) chromatography on bare silica gel in estimation of lipophilicity of some polyoxygenated steroids. Soczewinski equation coefficients were employed as a measure of lipophilicity. The R-M(0) values obtained in NP-systems were correlated with those derived by extrapolation from reversed-phase (RP) systems. In addition, retention data, i.e., lipophilicity parameters determined in NP systems were compared with logP values calculated by use of several commercial computer programs. The results showed that chromatographic parameters R-M(0), and m obtained in NP system consisted of silica gel as stationary phase and acetone-n-hexane as mobile phase, are acceptable as the measures of lipophilicity of polyoxygenated steroids. The mechanism of retention was discussed.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography",
volume = "38",
number = "11",
pages = "1097-1103",
doi = "10.1080/10826076.2015.1028287"
}

Tosti, T., Šegan, S., Milić, D., Radoičić, A. D., Tešić, Ž.,& Milojković-Opsenica, D.. (2015). Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 38(11), 1097-1103.
https://doi.org/10.1080/10826076.2015.1028287

Tosti T, Šegan S, Milić D, Radoičić AD, Tešić Ž, Milojković-Opsenica D. Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography. in Journal of Liquid Chromatography & Related Technologies. 2015;38(11):1097-1103.
doi:10.1080/10826076.2015.1028287 .

Tosti, Tomislav, Šegan, Sandra, Milić, Dragana, Radoičić, Aleksandra D., Tešić, Živoslav, Milojković-Opsenica, Dušanka, "Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography" in Journal of Liquid Chromatography & Related Technologies, 38, no. 11 (2015):1097-1103,
https://doi.org/10.1080/10826076.2015.1028287 . .

TY  - JOUR
AU  - Tosti, Tomislav
AU  - Šegan, Sandra
AU  - Milić, Dragana
AU  - Radoičić, Aleksandra D.
AU  - Tešić, Živoslav
AU  - Milojković-Opsenica, Dušanka
PY  - 2015
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/3126
AB  - Unmodified silica gel in combination with two mobile phases, acetone-n-hexane and acetonitrile-dichloromethane, was used in order to evaluate the capability of normal-phase (NP) chromatography on bare silica gel in estimation of lipophilicity of some polyoxygenated steroids. Soczewinski equation coefficients were employed as a measure of lipophilicity. The R-M(0) values obtained in NP-systems were correlated with those derived by extrapolation from reversed-phase (RP) systems. In addition, retention data, i.e., lipophilicity parameters determined in NP systems were compared with logP values calculated by use of several commercial computer programs. The results showed that chromatographic parameters R-M(0), and m obtained in NP system consisted of silica gel as stationary phase and acetone-n-hexane as mobile phase, are acceptable as the measures of lipophilicity of polyoxygenated steroids. The mechanism of retention was discussed.
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography
VL  - 38
IS  - 11
SP  - 1097
EP  - 1103
DO  - 10.1080/10826076.2015.1028287
ER  - 

@article{
author = "Tosti, Tomislav and Šegan, Sandra and Milić, Dragana and Radoičić, Aleksandra D. and Tešić, Živoslav and Milojković-Opsenica, Dušanka",
year = "2015",
abstract = "Unmodified silica gel in combination with two mobile phases, acetone-n-hexane and acetonitrile-dichloromethane, was used in order to evaluate the capability of normal-phase (NP) chromatography on bare silica gel in estimation of lipophilicity of some polyoxygenated steroids. Soczewinski equation coefficients were employed as a measure of lipophilicity. The R-M(0) values obtained in NP-systems were correlated with those derived by extrapolation from reversed-phase (RP) systems. In addition, retention data, i.e., lipophilicity parameters determined in NP systems were compared with logP values calculated by use of several commercial computer programs. The results showed that chromatographic parameters R-M(0), and m obtained in NP system consisted of silica gel as stationary phase and acetone-n-hexane as mobile phase, are acceptable as the measures of lipophilicity of polyoxygenated steroids. The mechanism of retention was discussed.",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography",
volume = "38",
number = "11",
pages = "1097-1103",
doi = "10.1080/10826076.2015.1028287"
}

Tosti, T., Šegan, S., Milić, D., Radoičić, A. D., Tešić, Ž.,& Milojković-Opsenica, D.. (2015). Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 38(11), 1097-1103.
https://doi.org/10.1080/10826076.2015.1028287

Tosti T, Šegan S, Milić D, Radoičić AD, Tešić Ž, Milojković-Opsenica D. Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography. in Journal of Liquid Chromatography & Related Technologies. 2015;38(11):1097-1103.
doi:10.1080/10826076.2015.1028287 .

Tosti, Tomislav, Šegan, Sandra, Milić, Dragana, Radoičić, Aleksandra D., Tešić, Živoslav, Milojković-Opsenica, Dušanka, "Estimation of Lipophilicity of Some Polyoxygenated Steroids by the Means of Normal-Phase Thin-Layer Chromatography" in Journal of Liquid Chromatography & Related Technologies, 38, no. 11 (2015):1097-1103,
https://doi.org/10.1080/10826076.2015.1028287 . .

TY  - JOUR
AU  - Shweshein, Khalil Salem A. M.
AU  - Andrić, Filip
AU  - Radoičić, Aleksandra D.
AU  - Zlatar, Matija
AU  - Gruden-Pavlović, Maja
AU  - Tešić, Živoslav
AU  - Milojković-Opsenica, Dušanka
PY  - 2014
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1538
AB  - The lipophilicity of ten ruthenium(II)-arene complexes was assessed by reversed-phase thin-layer chromatography (RP-TLC) on octadecyl silica stationary phase. The binary solvent systems composed of water and acetonitrile were used as mobile phase in order to determine chromatographic descriptors for lipophilicity estimation. Octanol-water partition coefficient, logK(OW), of tested complexes was experimentally determined using twenty-eight standard solutes which were analyzed under the same chromatographic conditions as target substances. In addition, ab initio density functional theory (DFT) computational approach was employed to calculate logK(OW) values from the differences in Gibbs' free solvation energies of the solute transfer from n-octanol to water. A good overall agreement between DFT calculated and experimentally determined logK(OW) values was established (R-2 = 0.8024-0.9658).
PB  - Hindawi Publishing Corporation, New York
T2  - Scientific World Journal
T1  - Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations
DO  - 10.1155/2014/862796
ER  - 

@article{
author = "Shweshein, Khalil Salem A. M. and Andrić, Filip and Radoičić, Aleksandra D. and Zlatar, Matija and Gruden-Pavlović, Maja and Tešić, Živoslav and Milojković-Opsenica, Dušanka",
year = "2014",
abstract = "The lipophilicity of ten ruthenium(II)-arene complexes was assessed by reversed-phase thin-layer chromatography (RP-TLC) on octadecyl silica stationary phase. The binary solvent systems composed of water and acetonitrile were used as mobile phase in order to determine chromatographic descriptors for lipophilicity estimation. Octanol-water partition coefficient, logK(OW), of tested complexes was experimentally determined using twenty-eight standard solutes which were analyzed under the same chromatographic conditions as target substances. In addition, ab initio density functional theory (DFT) computational approach was employed to calculate logK(OW) values from the differences in Gibbs' free solvation energies of the solute transfer from n-octanol to water. A good overall agreement between DFT calculated and experimentally determined logK(OW) values was established (R-2 = 0.8024-0.9658).",
publisher = "Hindawi Publishing Corporation, New York",
journal = "Scientific World Journal",
title = "Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations",
doi = "10.1155/2014/862796"
}

Shweshein, K. S. A. M., Andrić, F., Radoičić, A. D., Zlatar, M., Gruden-Pavlović, M., Tešić, Ž.,& Milojković-Opsenica, D.. (2014). Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations. in Scientific World Journal
Hindawi Publishing Corporation, New York..
https://doi.org/10.1155/2014/862796

Shweshein KSAM, Andrić F, Radoičić AD, Zlatar M, Gruden-Pavlović M, Tešić Ž, Milojković-Opsenica D. Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations. in Scientific World Journal. 2014;.
doi:10.1155/2014/862796 .

Shweshein, Khalil Salem A. M., Andrić, Filip, Radoičić, Aleksandra D., Zlatar, Matija, Gruden-Pavlović, Maja, Tešić, Živoslav, Milojković-Opsenica, Dušanka, "Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations" in Scientific World Journal (2014),
https://doi.org/10.1155/2014/862796 . .

TY  - JOUR
AU  - Šegan, Sandra
AU  - Andrić, Filip
AU  - Radoičić, Aleksandra D.
AU  - Opsenica, Dejan
AU  - Šolaja, Bogdan
AU  - Zlatović, Mario
AU  - Milojković-Opsenica, Dušanka
PY  - 2011
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/798
AB  - Both quantitative structure-retention (QSRR) and quantitative structure-activity relationship (QSAR) studies have been performed to correlate the molecular characteristics of seven pairs of cis-trans isomeric bis-steroidal tetraoxanes with their reversed-phase thin-layer chromatography (RPTLC) retention as well as with their antiproliferative activity. 2D and 3D molecular descriptors as whole molecule representations together with retention parameters as well as with biological activity data were subjected to the multivariate statistical analysis (principal component analysis - PCA and hierarchical cluster analysis - HCA) in order to determine the most influential factors governing the retention and activity against human cervix carcinoma (HeLa) and human malignant melanoma (Fem-X) cell lines. Both QSRR and QSAR models were built by means of the partial least-squares (PLS) statistical method. It was found that hydrogen bond donating (HBD), hydrogen bond accepting (HBAcc), hydrophilic surface percentage (%HS) and hydrophilic-lipophilic balance (HLB) exhibit the strongest influence on retention. The most prominent factors affecting antiproliferative activity of the investigated substances are those relating to the size and shape of a molecule such as: connectivity indices, refractivity (Ref), surface area (SA), molecular volume and weight, polarizability (Pol) and those regarding the ability of hydrogen bonding (HB).
PB  - Wiley-V C H Verlag Gmbh, Weinheim
T2  - Journal of Separation Science
T1  - Correlation between structure, retention and activity of cholic acid derived cis-trans isomeric bis-steroidal tetraoxanes
VL  - 34
IS  - 19
SP  - 2659
EP  - 2667
DO  - 10.1002/jssc.201100185
ER  - 

@article{
author = "Šegan, Sandra and Andrić, Filip and Radoičić, Aleksandra D. and Opsenica, Dejan and Šolaja, Bogdan and Zlatović, Mario and Milojković-Opsenica, Dušanka",
year = "2011",
abstract = "Both quantitative structure-retention (QSRR) and quantitative structure-activity relationship (QSAR) studies have been performed to correlate the molecular characteristics of seven pairs of cis-trans isomeric bis-steroidal tetraoxanes with their reversed-phase thin-layer chromatography (RPTLC) retention as well as with their antiproliferative activity. 2D and 3D molecular descriptors as whole molecule representations together with retention parameters as well as with biological activity data were subjected to the multivariate statistical analysis (principal component analysis - PCA and hierarchical cluster analysis - HCA) in order to determine the most influential factors governing the retention and activity against human cervix carcinoma (HeLa) and human malignant melanoma (Fem-X) cell lines. Both QSRR and QSAR models were built by means of the partial least-squares (PLS) statistical method. It was found that hydrogen bond donating (HBD), hydrogen bond accepting (HBAcc), hydrophilic surface percentage (%HS) and hydrophilic-lipophilic balance (HLB) exhibit the strongest influence on retention. The most prominent factors affecting antiproliferative activity of the investigated substances are those relating to the size and shape of a molecule such as: connectivity indices, refractivity (Ref), surface area (SA), molecular volume and weight, polarizability (Pol) and those regarding the ability of hydrogen bonding (HB).",
publisher = "Wiley-V C H Verlag Gmbh, Weinheim",
journal = "Journal of Separation Science",
title = "Correlation between structure, retention and activity of cholic acid derived cis-trans isomeric bis-steroidal tetraoxanes",
volume = "34",
number = "19",
pages = "2659-2667",
doi = "10.1002/jssc.201100185"
}

Šegan, S., Andrić, F., Radoičić, A. D., Opsenica, D., Šolaja, B., Zlatović, M.,& Milojković-Opsenica, D.. (2011). Correlation between structure, retention and activity of cholic acid derived cis-trans isomeric bis-steroidal tetraoxanes. in Journal of Separation Science
Wiley-V C H Verlag Gmbh, Weinheim., 34(19), 2659-2667.
https://doi.org/10.1002/jssc.201100185

Šegan S, Andrić F, Radoičić AD, Opsenica D, Šolaja B, Zlatović M, Milojković-Opsenica D. Correlation between structure, retention and activity of cholic acid derived cis-trans isomeric bis-steroidal tetraoxanes. in Journal of Separation Science. 2011;34(19):2659-2667.
doi:10.1002/jssc.201100185 .

Šegan, Sandra, Andrić, Filip, Radoičić, Aleksandra D., Opsenica, Dejan, Šolaja, Bogdan, Zlatović, Mario, Milojković-Opsenica, Dušanka, "Correlation between structure, retention and activity of cholic acid derived cis-trans isomeric bis-steroidal tetraoxanes" in Journal of Separation Science, 34, no. 19 (2011):2659-2667,
https://doi.org/10.1002/jssc.201100185 . .

TY  - JOUR
AU  - Andrić, Filip
AU  - Trifković, Jelena
AU  - Radoičić, Aleksandra D.
AU  - Šegan, Sandra
AU  - Tešić, Živoslav
AU  - Milojković-Opsenica, Dušanka
PY  - 2010
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/707
AB  - In order to determine the soil-water partition coefficient for eleven mono- and poly-substituted phenolic compounds, for which there is still no literature data available. the possibility of using thin-layer chromatography (TLC) as a means for rapid and reliable log K-OC estimation was examined A series of chromatographically derived descriptors R-M(0), b, C-0 and PC1 (first principal component), calculated from retention data obtained under reversed-phase conditions, were used for the assessment of models as well as for a direct calibration procedure The final calibration models are discussed with regard to the achieved accuracy and statistical quality, the type of descriptors used and the corresponding chromatographic conditions The estimated log K-OC values of the studied phenols were compared with those obtained by other means (a) the present OECD guideline based on an HPLC technique, (b) the KOCWIN software package, available free of charge from the US Environmental Protection Agency web site and
PB  - Oxford : Pergamon-Elsevier Science Ltd
T2  - Chemosphere
T1  - Determination of the soil-water partition coefficients (log K-OC) of some mono- and poly-substituted phenols by reversed-phase thin-layer chromatography
VL  - 81
IS  - 3
SP  - 299
EP  - 305
DO  - 10.1016/j.chemosphere.2010.07.049
ER  - 

@article{
author = "Andrić, Filip and Trifković, Jelena and Radoičić, Aleksandra D. and Šegan, Sandra and Tešić, Živoslav and Milojković-Opsenica, Dušanka",
year = "2010",
abstract = "In order to determine the soil-water partition coefficient for eleven mono- and poly-substituted phenolic compounds, for which there is still no literature data available. the possibility of using thin-layer chromatography (TLC) as a means for rapid and reliable log K-OC estimation was examined A series of chromatographically derived descriptors R-M(0), b, C-0 and PC1 (first principal component), calculated from retention data obtained under reversed-phase conditions, were used for the assessment of models as well as for a direct calibration procedure The final calibration models are discussed with regard to the achieved accuracy and statistical quality, the type of descriptors used and the corresponding chromatographic conditions The estimated log K-OC values of the studied phenols were compared with those obtained by other means (a) the present OECD guideline based on an HPLC technique, (b) the KOCWIN software package, available free of charge from the US Environmental Protection Agency web site and",
publisher = "Oxford : Pergamon-Elsevier Science Ltd",
journal = "Chemosphere",
title = "Determination of the soil-water partition coefficients (log K-OC) of some mono- and poly-substituted phenols by reversed-phase thin-layer chromatography",
volume = "81",
number = "3",
pages = "299-305",
doi = "10.1016/j.chemosphere.2010.07.049"
}

Andrić, F., Trifković, J., Radoičić, A. D., Šegan, S., Tešić, Ž.,& Milojković-Opsenica, D.. (2010). Determination of the soil-water partition coefficients (log K-OC) of some mono- and poly-substituted phenols by reversed-phase thin-layer chromatography. in Chemosphere
Oxford : Pergamon-Elsevier Science Ltd., 81(3), 299-305.
https://doi.org/10.1016/j.chemosphere.2010.07.049

Andrić F, Trifković J, Radoičić AD, Šegan S, Tešić Ž, Milojković-Opsenica D. Determination of the soil-water partition coefficients (log K-OC) of some mono- and poly-substituted phenols by reversed-phase thin-layer chromatography. in Chemosphere. 2010;81(3):299-305.
doi:10.1016/j.chemosphere.2010.07.049 .

Andrić, Filip, Trifković, Jelena, Radoičić, Aleksandra D., Šegan, Sandra, Tešić, Živoslav, Milojković-Opsenica, Dušanka, "Determination of the soil-water partition coefficients (log K-OC) of some mono- and poly-substituted phenols by reversed-phase thin-layer chromatography" in Chemosphere, 81, no. 3 (2010):299-305,
https://doi.org/10.1016/j.chemosphere.2010.07.049 . .