scholarly journals Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations

2014 ◽  
Vol 2014 ◽  
pp. 1-10 ◽  
Author(s):  
Khalil Salem A. M. Shweshein ◽  
Filip Andrić ◽  
Aleksandra Radoičić ◽  
Matija Zlatar ◽  
Maja Gruden-Pavlović ◽  
...  

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 initiodensity functional theory (DFT) computational approach was employed to calculatelogKOWvalues from the differences in Gibbs’ free solvation energies of the solute transfer fromn-octanol to water. A good overall agreement between DFT calculated and experimentally determinedlogKOWvalues was established (R2= 0.8024–0.9658).

2006 ◽  
Vol 71 (6) ◽  
pp. 621-628 ◽  
Author(s):  
Jadranka Odovic ◽  
Biljana Stojimirovic ◽  
Mirjana Aleksic ◽  
Dusanka Milojkovic-Opsenica ◽  
Zivoslav Tesic

The chromatographic behaviour of some ACE inhibitors and their active metabolites was examined under conditions of reversed-phase thin-layer chromatography on RP-18 silica using water-methanol, water-ethanol and water-acetone as binary solvent systems. The relationship between the R M values and the concentration of organic modifier in the mobile phases was linear. It was found that an increase in the content of the organicmodifier in the employed solvent systems led to a decrease of the R M values, i.e., of the retention. Also, the more hydrophobic compounds had a longer retention. Based on regression analysis of the plots, the lipophilicity parameters R M 0 and c 0 were calculated. The chromatographically obtained lipophilicity parameters were correlated with the calculated log P values.


2003 ◽  
Vol 16 (4) ◽  
pp. 276-279 ◽  
Author(s):  
Dušanka Milojković-Opsenica ◽  
Kristina Lazarević ◽  
Vojkan Ivačković ◽  
Živoslav Tešić

2008 ◽  
Vol 59 (10) ◽  
Author(s):  
Rodica Daniela Baratoiu ◽  
Radu Socoteanu ◽  
Radu Cristian Mutihac ◽  
Anca Elena Barbu ◽  
Adrian Beteringhe ◽  
...  

Investigations on the hydrophobic and ionophoric character of para-(5-phthalhydrazide-azo)-phenylene-N-aza-15-crown- (1) were carried out by reversed phase thin layer chromatography (RP-TLC) and spectrophotometric measurements. The study included complexes with Li+ and Na+ cations (as perchlorates in acetonitrile and as dibenzyldithiocarbamate salts in chloroform). In both cases, the stoichiometry of complexes was 1:1:1 (1:M+:anion pair). The complex stability (logKS ) is similar.


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