TY  - JOUR
AU  - Apostolov, Suzana
AU  - Vastag, Gyoengyi
AU  - Mrdjan, Gorana
AU  - Nakomcić, Jelena
AU  - Stojiljković, Ivana
PY  - 2019
UR  - https://omorika.sfb.bg.ac.rs/handle/123456789/1084
AB  - Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Chromatographic descriptors in QSAR study of barbiturates
EP  - 203
IS  - 7-8
SP  - 194
VL  - 42
DO  - 10.1080/10826076.2019.1590207
UR  - conv_1422
ER  - 

@article{
author = "Apostolov, Suzana and Vastag, Gyoengyi and Mrdjan, Gorana and Nakomcić, Jelena and Stojiljković, Ivana",
year = "2019",
abstract = "Barbiturate derivatives were evaluated for their parameters of biological activity by applying linear regression and two multivariate methods (Cluster analysis and Principal component analysis). The lipophilicity of the studied barbiturates was determined on the modified carriers C18 in mixtures of water and four organic modifiers separately (methanol, n-propanol, acetone and tetrahydrofuran) by performing reversed phase thin layer chromatography and by applying relevant software packages. Chromatographic and computational lipophilicity of the examined barbiturates was correlated with the selected pharmacokinetic and toxicological predictors and good relationships were obtained. More concrete results were obtained by multivariate methods which showed that the polarity of the substituent has the greatest influence, and its electronic effects to a lesser extent on the tested parameters of the barbiturate derivatives. Results obtained by multivariate methods also suggest that the chromatographic retention constant, R-M(0), shows a greater resemblance to the parameters of lipophilicity. The chromatographic parameter m, exhibits better agreement with the toxicity parameters. [GRAPHICS] .",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Chromatographic descriptors in QSAR study of barbiturates",
pages = "203-194",
number = "7-8",
volume = "42",
doi = "10.1080/10826076.2019.1590207",
url = "conv_1422"
}

Apostolov, S., Vastag, G., Mrdjan, G., Nakomcić, J.,& Stojiljković, I.. (2019). Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies, 42(7-8), 194-203.
https://doi.org/10.1080/10826076.2019.1590207
conv_1422

Apostolov S, Vastag G, Mrdjan G, Nakomcić J, Stojiljković I. Chromatographic descriptors in QSAR study of barbiturates. in Journal of Liquid Chromatography & Related Technologies. 2019;42(7-8):194-203.
doi:10.1080/10826076.2019.1590207
conv_1422 .

Apostolov, Suzana, Vastag, Gyoengyi, Mrdjan, Gorana, Nakomcić, Jelena, Stojiljković, Ivana, "Chromatographic descriptors in QSAR study of barbiturates" in Journal of Liquid Chromatography & Related Technologies, 42, no. 7-8 (2019):194-203,
https://doi.org/10.1080/10826076.2019.1590207 .,
conv_1422 .