Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations
Joint Authors
Tešić, Živoslav
Shweshein, Khalil Salem A. M.
Andrić, Filip
Radoičić, Aleksandra
Zlatar, Matija
Gruden-Pavlović, Maja
Milojkovic-Opsenica, D. M.
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-01-22
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Medicine
Information Technology and Computer Science
Abstract EN
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, logKOW, 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 logKOW 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 logKOW values was established (R2 = 0.8024–0.9658).
American Psychological Association (APA)
Shweshein, Khalil Salem A. M.& Andrić, Filip& Radoičić, Aleksandra& Zlatar, Matija& Gruden-Pavlović, Maja& Tešić, Živoslav…[et al.]. 2014. Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations. The Scientific World Journal،Vol. 2014, no. 2014, pp.1-10.
https://search.emarefa.net/detail/BIM-1051389
Modern Language Association (MLA)
Shweshein, Khalil Salem A. M.…[et al.]. Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations. The Scientific World Journal No. 2014 (2014), pp.1-10.
https://search.emarefa.net/detail/BIM-1051389
American Medical Association (AMA)
Shweshein, Khalil Salem A. M.& Andrić, Filip& Radoičić, Aleksandra& Zlatar, Matija& Gruden-Pavlović, Maja& Tešić, Živoslav…[et al.]. Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations. The Scientific World Journal. 2014. Vol. 2014, no. 2014, pp.1-10.
https://search.emarefa.net/detail/BIM-1051389
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1051389