Author(s):
1. Dragana Mekic, University of Novi Sad, Faculty of Sciences, Department of Chemistry, Biochemistry and Environmental, Serbia
2. Đenđi Vaštag, Serbia
3. Gorana Mrđan, Prirodno-matematički fakultet u Novom Sadu, Serbia
4. Borko Matijević, Serbia
5. Suzana Apostolov, Univerzitet u Novom Sadu, Prirodno-matematički fakultet, Serbia

Abstract:
The development of biologically active compounds requires a comprehensive understanding of the relationships between molecular structure, physicochemical properties, biological activity, and environmental behavior. Among molecular descriptors, lipophilicity plays a crucial role in determining the bioavailability and distribution of chemical compounds within biological systems and the environment. Owing to their structural diversity and broad spectrum of biological activities, thiocarbohydrazone derivatives have attracted considerable attention, highlighting the importance of assessing their potential environmental impact. Understanding the relationship between molecular structure, lipophilicity, and ecotoxicity is essential for predicting the environmental behavior of newly synthesized compounds and evaluating their ecological risk. Experimental lipophilicity was determined by reversed-phase thin-layer chromatography (RPTLC), yielding the chromatographic parameters RM0 and m, while partition coefficients and ecotoxicity parameters were calculated using various computational tools. The relationships between the chromatographic parameters and the calculated logP values, as well as the ecotoxicity parameters, were analyzed using linear regression analysis, yielding satisfactory mathematical models. The obtained results indicate that the chromatographic parameters are reliable predictors of the lipophilicity and ecotoxicity of the investigated thiocarbohydrazone derivatives.

Key words:
thin-layer chromatography,lipophilicity,thiocarbohydrazone,ecotoxicity.

Date of abstract submission:
31.07.2026.

Conference:
Contemporary Materials 2026 - Savremeni Materijali

Applied paper from author