TY  - JOUR
AU  - Dobričić, Vladimir
AU  - Turković, Nemanja
AU  - Ivković, Branka
AU  - Csuvik, Oszkár
AU  - Vujić, Zorica
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5441
AB  - Retention behaviour of twenty-one chalcones synthesized in our laboratory was tested in three thin-layer chromatography (RP-TLC) systems (acetonitrile–water, ethanol–water and acetone–water) and chromatography parameters R0 M, S and C0 were calculated. The most suitable RP-TLC system (acetonitrile–water) and chromatography parameter (C0) for lipophilicity prediction of tested compounds were selected on the basis of the highest correlations with calculated logP values. In selected system, compound 12 had the highest, whereas 47 had the lowest C0 value. QSRR analysis was performed and three models representing relationships between C0 and selected molecular descriptors were created—MLR(C0), PLS(C0) and SVM(C0). Interpretation of molecular descriptors which form statistically the most reliable SVM(C0) model identified the most important structural and physico-chemical properties that influence retention behaviour of tested compounds. In addition, descriptors with the highest influence on R0
M as well as on C0 calculated in the remaining two RP-TLC systems were  dentified and interpreted.
PB  - Springer
T2  - Journal of Planar Chromatography - Modern TLC
T1  - Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods
VL  - 33
SP  - 245
EP  - 253
DO  - 10.1007/s00764-020-00029-w
ER  - 

@article{
author = "Dobričić, Vladimir and Turković, Nemanja and Ivković, Branka and Csuvik, Oszkár and Vujić, Zorica",
year = "2020",
abstract = "Retention behaviour of twenty-one chalcones synthesized in our laboratory was tested in three thin-layer chromatography (RP-TLC) systems (acetonitrile–water, ethanol–water and acetone–water) and chromatography parameters R0 M, S and C0 were calculated. The most suitable RP-TLC system (acetonitrile–water) and chromatography parameter (C0) for lipophilicity prediction of tested compounds were selected on the basis of the highest correlations with calculated logP values. In selected system, compound 12 had the highest, whereas 47 had the lowest C0 value. QSRR analysis was performed and three models representing relationships between C0 and selected molecular descriptors were created—MLR(C0), PLS(C0) and SVM(C0). Interpretation of molecular descriptors which form statistically the most reliable SVM(C0) model identified the most important structural and physico-chemical properties that influence retention behaviour of tested compounds. In addition, descriptors with the highest influence on R0
M as well as on C0 calculated in the remaining two RP-TLC systems were  dentified and interpreted.",
publisher = "Springer",
journal = "Journal of Planar Chromatography - Modern TLC",
title = "Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods",
volume = "33",
pages = "245-253",
doi = "10.1007/s00764-020-00029-w"
}

Dobričić, V., Turković, N., Ivković, B., Csuvik, O.,& Vujić, Z.. (2020). Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods. in Journal of Planar Chromatography - Modern TLC
Springer., 33, 245-253.
https://doi.org/10.1007/s00764-020-00029-w

Dobričić V, Turković N, Ivković B, Csuvik O, Vujić Z. Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods. in Journal of Planar Chromatography - Modern TLC. 2020;33:245-253.
doi:10.1007/s00764-020-00029-w .

Dobričić, Vladimir, Turković, Nemanja, Ivković, Branka, Csuvik, Oszkár, Vujić, Zorica, "Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods" in Journal of Planar Chromatography - Modern TLC, 33 (2020):245-253,
https://doi.org/10.1007/s00764-020-00029-w . .