Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors
Authors
Jevrić, Lidija R.Koprivica, Gordana B.
Mišljenović, Nevena M.
Tepić, Aleksandra N.
Kuljanin, Tatjana A.
Jovanović, Bratislav Ž.
Article (Published version)
Metadata
Show full item recordAbstract
In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.
Keywords:
Lipophilicity / Multiple linear regression / s-triazineSource:
Acta Periodica Technologica, 2011, 42, 231-239Publisher:
- Univerzitet u Novom Sadu
Funding / projects:
- Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds (RS-172013)
Institution/Community
Tehnološko-metalurški fakultetTY - JOUR AU - Jevrić, Lidija R. AU - Koprivica, Gordana B. AU - Mišljenović, Nevena M. AU - Tepić, Aleksandra N. AU - Kuljanin, Tatjana A. AU - Jovanović, Bratislav Ž. PY - 2011 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5642 AB - In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained. PB - Univerzitet u Novom Sadu T2 - Acta Periodica Technologica T1 - Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors EP - 239 SP - 231 VL - 42 DO - 10.2298/APT1142231J ER -
@article{ author = "Jevrić, Lidija R. and Koprivica, Gordana B. and Mišljenović, Nevena M. and Tepić, Aleksandra N. and Kuljanin, Tatjana A. and Jovanović, Bratislav Ž.", year = "2011", abstract = "In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relation-ships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.", publisher = "Univerzitet u Novom Sadu", journal = "Acta Periodica Technologica", title = "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors", pages = "239-231", volume = "42", doi = "10.2298/APT1142231J" }
Jevrić, L. R., Koprivica, G. B., Mišljenović, N. M., Tepić, A. N., Kuljanin, T. A.,& Jovanović, B. Ž.. (2011). Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica Univerzitet u Novom Sadu., 42, 231-239. https://doi.org/10.2298/APT1142231J
Jevrić LR, Koprivica GB, Mišljenović NM, Tepić AN, Kuljanin TA, Jovanović BŽ. Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors. in Acta Periodica Technologica. 2011;42:231-239. doi:10.2298/APT1142231J .
Jevrić, Lidija R., Koprivica, Gordana B., Mišljenović, Nevena M., Tepić, Aleksandra N., Kuljanin, Tatjana A., Jovanović, Bratislav Ž., "Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors" in Acta Periodica Technologica, 42 (2011):231-239, https://doi.org/10.2298/APT1142231J . .