Phytoremediation of hexavalent chromium by absinthe: experimental approach and computational modeling of the transfer and production of some secondary metabolites

Phytoremediation of hexavalent chromium (Cr(VI)) using absinthe (Artemisia absinthium L.) is a potential solution for the remediation of soils polluted by this toxic metal. This study aims to evaluate the morphological, physiological, and biochemical response of A. absinthium to Cr(VI), as well as to analyze its effectiveness as a phytoremediation agent through experiments and computational modeling. Experimental results show that Cr (VI) exposure induces deleterious effects on plant growth, with a significant decrease in total plant length from 77 cm to 32 cm at 50 ppm Cr(VI). Plant weight decreased from 18 g to 7.425 g, and branching density was significantly reduced. Biochemical analysis revealed a reduction in chlorophyll content from 373.38 μg/g to 163.9 μg/g and a decrease in secondary metabolite production, with Absinthin decreasing from 26.7 mg/g to 12.7 mg/g and Artemisinin from 7.2 mg/g to 2.1 mg/g at 50 ppm Cr(VI). Modeling simulations revealed a progressive accumulation of Cr in plant tissues, reaching 12.0 ppm at 40 ppm and 14.8 ppm at 50 ppm after 5 months. Molecular docking results showed that aquaporin proteins (6QIM and 7CJS) from A. absinthium may play a key role in oxidative stress management and metabolite transport. These results suggest that A. absinthium has effective phytoremediation potential, especially at moderate Cr(VI) concentrations, although management of Cr concentrations is necessary to optimize detoxification.