RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands
Apstrakt
The chromatographic behavior of 16 alpha adrenergic and imidazoline
receptor ligands has been studied by reversed-phase thin-layer
chromatography (RP-TLC). Retention constant RM
0 has been determined for
all tested compounds in two different chromatographic systems
(tetrahydrofuran-ammonia-water/RP-18, and tetrahydrofuran-ammoniawater/
CN) and together with computed molecular parameters of the
examined compounds further used for the quantitative structure–retention
relationship (QSRR) study. The QSRR modeling was performed with use of
the partial least squares regression (PLS). Obtained results from leave-one out
cross-validation (Q2 values: 0.923 and 0.873 for RP-18 and CN
stationary phase, respectively) and external test set prediction (root mean
square error of prediction, RMSEP: 0.339 and 0.218, for RP-18 and CN
stationary phase, respectively) were proved high predictive power of the
proposed models.
Izvor:
PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia, 2014, I, 1129-1132Izdavač:
- Society of Physical Chemists of Serbia
Finansiranje / projekti:
- Sinteza, kvantitativni odnos između strukture i dejstva, fizičko-hemijska karakterizacija i analiza farmakološki aktivnih supstanci (RS-MESTD-Basic Research (BR or ON)-172033)
Napomena:
- 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia
Institucija/grupa
PharmacyTY - CONF AU - Oljačić, Slavica AU - Shenger, Salem AU - Vučićević, Jelica AU - Popović, Marija AU - Agbaba, Danica PY - 2014 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5015 AB - The chromatographic behavior of 16 alpha adrenergic and imidazoline receptor ligands has been studied by reversed-phase thin-layer chromatography (RP-TLC). Retention constant RM 0 has been determined for all tested compounds in two different chromatographic systems (tetrahydrofuran-ammonia-water/RP-18, and tetrahydrofuran-ammoniawater/ CN) and together with computed molecular parameters of the examined compounds further used for the quantitative structure–retention relationship (QSRR) study. The QSRR modeling was performed with use of the partial least squares regression (PLS). Obtained results from leave-one out cross-validation (Q2 values: 0.923 and 0.873 for RP-18 and CN stationary phase, respectively) and external test set prediction (root mean square error of prediction, RMSEP: 0.339 and 0.218, for RP-18 and CN stationary phase, respectively) were proved high predictive power of the proposed models. PB - Society of Physical Chemists of Serbia C3 - PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia T1 - RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands VL - I SP - 1129 EP - 1132 UR - https://hdl.handle.net/21.15107/rcub_farfar_5015 ER -
@conference{ author = "Oljačić, Slavica and Shenger, Salem and Vučićević, Jelica and Popović, Marija and Agbaba, Danica", year = "2014", abstract = "The chromatographic behavior of 16 alpha adrenergic and imidazoline receptor ligands has been studied by reversed-phase thin-layer chromatography (RP-TLC). Retention constant RM 0 has been determined for all tested compounds in two different chromatographic systems (tetrahydrofuran-ammonia-water/RP-18, and tetrahydrofuran-ammoniawater/ CN) and together with computed molecular parameters of the examined compounds further used for the quantitative structure–retention relationship (QSRR) study. The QSRR modeling was performed with use of the partial least squares regression (PLS). Obtained results from leave-one out cross-validation (Q2 values: 0.923 and 0.873 for RP-18 and CN stationary phase, respectively) and external test set prediction (root mean square error of prediction, RMSEP: 0.339 and 0.218, for RP-18 and CN stationary phase, respectively) were proved high predictive power of the proposed models.", publisher = "Society of Physical Chemists of Serbia", journal = "PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia", title = "RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands", volume = "I", pages = "1129-1132", url = "https://hdl.handle.net/21.15107/rcub_farfar_5015" }
Oljačić, S., Shenger, S., Vučićević, J., Popović, M.,& Agbaba, D.. (2014). RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands. in PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia Society of Physical Chemists of Serbia., I, 1129-1132. https://hdl.handle.net/21.15107/rcub_farfar_5015
Oljačić S, Shenger S, Vučićević J, Popović M, Agbaba D. RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands. in PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia. 2014;I:1129-1132. https://hdl.handle.net/21.15107/rcub_farfar_5015 .
Oljačić, Slavica, Shenger, Salem, Vučićević, Jelica, Popović, Marija, Agbaba, Danica, "RP-TLC in quantitative structure-retention relationships of some alpha adrenergic and imidazoline receptor ligands" in PHYSICAL CHEMISTRY 2014 (Proceedings), 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, September 22-26, 2014 Belgrade, Serbia, I (2014):1129-1132, https://hdl.handle.net/21.15107/rcub_farfar_5015 .