Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes
Само за регистроване кориснике
2017
Аутори
Stevanović, Nikola R.Perušković, Danica S.
Gašić, Uroš M.
Antunović, Vesna R.
Lolić, Aleksandar
Baošić, Rada
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The objectives of this study were to gain insights into structure-retention relationships and to propose the model to estimating their retention. Chromatographic investigation of series of 36 Schiff bases and their copper(II) and nickel(II) complexes was performed under both normaland reverse-phase conditions. Chemical structures of the compounds were characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters by multiple linear regression analysis. Effects of chelation on retention parameters of investigated compounds, under normal-and reverse-phase chromatographic conditions, were analyzed by principal component analysis, quantitative structure-retention relationship and quantitative structure-activity relationship models were developed on the basis of theoretical molecular descriptors, calculated exclusively from molecular structure, and parameters of retention and lipophilicity.
Кључне речи:
PCA / QSAR / QSRR / Schiff bases / TLCИзвор:
Biomedical Chromatography, 2017, 31, 3Издавач:
- Wiley, Hoboken
Финансирање / пројекти:
- Корелација структуре и особина природних и синтетичких молекула и њихових комплекса са металима (RS-MESTD-Basic Research (BR or ON)-172017)
Напомена:
- Peer-reviewed manuscript: http://cherry.chem.bg.ac.rs/handle/123456789/2982
DOI: 10.1002/bmc.3810
ISSN: 0269-3879
PubMed: 27508524
WoS: 000398912500013
Scopus: 2-s2.0-84992670263
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Stevanović, Nikola R. AU - Perušković, Danica S. AU - Gašić, Uroš M. AU - Antunović, Vesna R. AU - Lolić, Aleksandar AU - Baošić, Rada PY - 2017 UR - https://cherry.chem.bg.ac.rs/handle/123456789/2443 AB - The objectives of this study were to gain insights into structure-retention relationships and to propose the model to estimating their retention. Chromatographic investigation of series of 36 Schiff bases and their copper(II) and nickel(II) complexes was performed under both normaland reverse-phase conditions. Chemical structures of the compounds were characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters by multiple linear regression analysis. Effects of chelation on retention parameters of investigated compounds, under normal-and reverse-phase chromatographic conditions, were analyzed by principal component analysis, quantitative structure-retention relationship and quantitative structure-activity relationship models were developed on the basis of theoretical molecular descriptors, calculated exclusively from molecular structure, and parameters of retention and lipophilicity. PB - Wiley, Hoboken T2 - Biomedical Chromatography T1 - Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes VL - 31 IS - 3 DO - 10.1002/bmc.3810 ER -
@article{ author = "Stevanović, Nikola R. and Perušković, Danica S. and Gašić, Uroš M. and Antunović, Vesna R. and Lolić, Aleksandar and Baošić, Rada", year = "2017", abstract = "The objectives of this study were to gain insights into structure-retention relationships and to propose the model to estimating their retention. Chromatographic investigation of series of 36 Schiff bases and their copper(II) and nickel(II) complexes was performed under both normaland reverse-phase conditions. Chemical structures of the compounds were characterized by molecular descriptors which are calculated from the structure and related to the chromatographic retention parameters by multiple linear regression analysis. Effects of chelation on retention parameters of investigated compounds, under normal-and reverse-phase chromatographic conditions, were analyzed by principal component analysis, quantitative structure-retention relationship and quantitative structure-activity relationship models were developed on the basis of theoretical molecular descriptors, calculated exclusively from molecular structure, and parameters of retention and lipophilicity.", publisher = "Wiley, Hoboken", journal = "Biomedical Chromatography", title = "Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes", volume = "31", number = "3", doi = "10.1002/bmc.3810" }
Stevanović, N. R., Perušković, D. S., Gašić, U. M., Antunović, V. R., Lolić, A.,& Baošić, R.. (2017). Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes. in Biomedical Chromatography Wiley, Hoboken., 31(3). https://doi.org/10.1002/bmc.3810
Stevanović NR, Perušković DS, Gašić UM, Antunović VR, Lolić A, Baošić R. Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes. in Biomedical Chromatography. 2017;31(3). doi:10.1002/bmc.3810 .
Stevanović, Nikola R., Perušković, Danica S., Gašić, Uroš M., Antunović, Vesna R., Lolić, Aleksandar, Baošić, Rada, "Effect of substituents on prediction of TLC retention of tetradentate Schiff bases and their Copper(II) and Nickel(II) complexes" in Biomedical Chromatography, 31, no. 3 (2017), https://doi.org/10.1002/bmc.3810 . .