Structure-retention relationship study of polyoxygenated steroids
Само за регистроване кориснике
2012
Аутори
Tosti, TomislavNatić, Maja
Dabić Zagorac, Dragana
Milić, Dragana
Milojković-Opsenica, Dušanka
Tešić, Živoslav Lj.
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The chromatographic behavior of 31 newly synthesized polyoxygenated steroids was investigated by the means of reversed-phase planar chromatography. Retention data were correlated to molecular characteristics of the analytes with view to examine possible relationships by the means of multiple linear regression (MLR) and partial least square (PLS) regression. On the basis of comparison of the statistical parameters obtained for both MLR and PLS models, descriptors best describing the analyte behavior were selected. Statistically significant and physically meaningful structure-retention relationships were obtained. Calculated lipophilicity expressed as XlogP as well surface tension and Hansen hydrogen bonding was included in both MLR and PLS models.
Кључне речи:
Multiple linear regression / Partial least square / Polyoxygenated steroids / Quantitative structure-retention relationshipИзвор:
Journal of Separation Science, 2012, 35, 20, 2693-2698Издавач:
- Wiley-V C H Verlag Gmbh, Weinheim
Финансирање / пројекти:
- Корелација структуре и особина природних и синтетичких молекула и њихових комплекса са металима (RS-MESTD-Basic Research (BR or ON)-172017)
DOI: 10.1002/jssc.201200423
ISSN: 1615-9306
PubMed: 22997070
WoS: 000309916500004
Scopus: 2-s2.0-84867536152
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Tosti, Tomislav AU - Natić, Maja AU - Dabić Zagorac, Dragana AU - Milić, Dragana AU - Milojković-Opsenica, Dušanka AU - Tešić, Živoslav Lj. PY - 2012 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1538 AB - The chromatographic behavior of 31 newly synthesized polyoxygenated steroids was investigated by the means of reversed-phase planar chromatography. Retention data were correlated to molecular characteristics of the analytes with view to examine possible relationships by the means of multiple linear regression (MLR) and partial least square (PLS) regression. On the basis of comparison of the statistical parameters obtained for both MLR and PLS models, descriptors best describing the analyte behavior were selected. Statistically significant and physically meaningful structure-retention relationships were obtained. Calculated lipophilicity expressed as XlogP as well surface tension and Hansen hydrogen bonding was included in both MLR and PLS models. PB - Wiley-V C H Verlag Gmbh, Weinheim T2 - Journal of Separation Science T1 - Structure-retention relationship study of polyoxygenated steroids VL - 35 IS - 20 SP - 2693 EP - 2698 DO - 10.1002/jssc.201200423 ER -
@article{ author = "Tosti, Tomislav and Natić, Maja and Dabić Zagorac, Dragana and Milić, Dragana and Milojković-Opsenica, Dušanka and Tešić, Živoslav Lj.", year = "2012", abstract = "The chromatographic behavior of 31 newly synthesized polyoxygenated steroids was investigated by the means of reversed-phase planar chromatography. Retention data were correlated to molecular characteristics of the analytes with view to examine possible relationships by the means of multiple linear regression (MLR) and partial least square (PLS) regression. On the basis of comparison of the statistical parameters obtained for both MLR and PLS models, descriptors best describing the analyte behavior were selected. Statistically significant and physically meaningful structure-retention relationships were obtained. Calculated lipophilicity expressed as XlogP as well surface tension and Hansen hydrogen bonding was included in both MLR and PLS models.", publisher = "Wiley-V C H Verlag Gmbh, Weinheim", journal = "Journal of Separation Science", title = "Structure-retention relationship study of polyoxygenated steroids", volume = "35", number = "20", pages = "2693-2698", doi = "10.1002/jssc.201200423" }
Tosti, T., Natić, M., Dabić Zagorac, D., Milić, D., Milojković-Opsenica, D.,& Tešić, Ž. Lj.. (2012). Structure-retention relationship study of polyoxygenated steroids. in Journal of Separation Science Wiley-V C H Verlag Gmbh, Weinheim., 35(20), 2693-2698. https://doi.org/10.1002/jssc.201200423
Tosti T, Natić M, Dabić Zagorac D, Milić D, Milojković-Opsenica D, Tešić ŽL. Structure-retention relationship study of polyoxygenated steroids. in Journal of Separation Science. 2012;35(20):2693-2698. doi:10.1002/jssc.201200423 .
Tosti, Tomislav, Natić, Maja, Dabić Zagorac, Dragana, Milić, Dragana, Milojković-Opsenica, Dušanka, Tešić, Živoslav Lj., "Structure-retention relationship study of polyoxygenated steroids" in Journal of Separation Science, 35, no. 20 (2012):2693-2698, https://doi.org/10.1002/jssc.201200423 . .