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 . .