Karadžić Banjac Milica and Kovačević Strahinja and Anojčić Jasmina and Salaković Benjamin and Podunavac-Kuzmanović Sanja and Jevrić Lidija: Interpretation of retention behavior of s-triazine derivatives in RP-UHPLC system from the aspect of reactivity descriptors.
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Abstract
The present study deals with the interpretation of the retention data of a series of s-triazine derivatives from the aspect of reactivity descriptors, including highest occupied molecular orbitals (HOMO), lowest unoccupied molecular orbitals (LUMO), the difference between HOMO and LUMO energies (HOMO-LUMO gap – Egap), chemical potential (μ) and electrophilicity index (ω). The retention behavior of the studied compounds was determined by using RP-UHPLC system with phenyl column and methanol/water mobile phase and it was expressed as capacity factor (logk0) obtained based on extrapolation of the linear dependence between the volume fraction of modifier in the mobile phase (φ) and capacity factor (logk). The relationships between the retention parameters and reactivity descriptors were examined by univariate linear approach. Statistical characteristics of the resulting relationships provided an insight into the influence of the molecular characteristics on the retention behavior of the studied compounds in the applied chromatographic system. The established linear quantitative structure-retention relationships (QSRRs) can be considered to be preliminary ones, taking into account the limited number of compounds, however they could be significant guidelines for further detailed examination of the retention mechanisms.
| Item Type: | Conference or Workshop Item |
|---|---|
| Journal or Publication Title: | Proceedings of the International Symposium on Analytical and Environmental Problems |
| Date: | 2024 |
| Volume: | 30 |
| ISBN: | 978-963-688-009-5 |
| Page Range: | pp. 287-291 |
| Language: | English |
| Publisher: | University of Szeged |
| Place of Publication: | Szeged |
| Event Title: | 30th International Symposium on Analytical and Environmental Problems |
| Event Type: | Conference |
| Event Location: | Szeged |
| Event Dates: | 2024. október 7-8. |
| Related URLs: | https://acta.bibl.u-szeged.hu/85607/ |
| Uncontrolled Keywords: | Analitikai kémia, Gyógyszerkémia, Kvantumkémia |
| Additional Information: | Bibliogr.: 291. p. ; ill. ; összefoglalás angol nyelven |
| Subjects: | 01. Natural sciences 01. Natural sciences > 01.04. Chemical sciences |
| Date Deposited: | 2024. Nov. 26. 08:45 |
| Last Modified: | 2024. Nov. 26. 08:45 |
| URI: | http://acta.bibl.u-szeged.hu/id/eprint/85740 |
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