In this study, computer simulation prediction technology was used to establish an interaction model between cyclohexene and protonated small molecules modified uranyl-Salophen. Theoretical simulation research the compounds using Uranyl-Salophen modified by methyl, vinyl and carboxyl-propenyl, with the cyclohexene complexes in vacuum condition, were performed by using density functional theory (DFT) at level with the B3LYP/6-311G*basis set. All of the combination structure is carried out under the same base group, in optimization, infrared spectrum, the binding energy, and the calculation of molecular orbital energy level. The results showed that the capacity and stability of complexes whose Uranyl-Salophen modified by carboxyl-propenyl was strongest, the vinyl followed, and the methyl weakest, and methyl modified even reduce the compounds combining ability.

Background: The golden apple snail (Pomacea canaliculata), an invasive species originating from South America, has inflicted considerable agricultural and ecological harm in non-native habitats. While the molluscicide niclosamide is currently effective against P. canaliculata, its prolonged use raises environmental concerns and the risk of resistance development. Results: BAM 15 possesses strong molluscicidal activity against P. canaliculata, with 72 h LC₅₀ values of 0.4564 mg/L for adults (shell height: 20–25 mm), 0.3352 mg/L for subadults (10–15 mm), and 0.1142 mg/L for juveniles (2–3 mm). Metabolomic and proteomic profiling revealed that the altered metabolites and proteins both converged on energy metabolism and oxidative stress. Experimental validation revealed that BAM15 collapsed the mitochondrial membrane potential, drove MDA and H₂O₂ upward while depleting NADPH, boosted CAT, SOD and GPX activities, yet suppressed GR, and ultimately inflicted overt damage in the head-foot tissue of P. canaliculata. Conclusions: Our findings reveal that BAM 15 operates via a three-stage mechanism: (1) it disrupts membrane potential (ΔΨm) and impairs ATP production, severely disturbing energy metabolism; (2) energy deficits stimulate excessive electron transport chain activity, generating reactive oxygen species (ROS) and initiating oxidative stress; (3) persistent metabolic imbalance and oxidative damage culminate in extensive tissue injury. These results identify BAM 15 as a promising candidate for molluscicide development.

In order to explore why heme can be used for the determination of lead, the central iron atom (Fe) of heme was replaced with lead atom (Pb). The structural characteristics and spectral characteristics of the molecules before and after the substitution, as well as the binding ability of the heme ligand to the central atom and the stability of the formed complex were compared. The results show that complex-Pb has obvious infrared characteristic spectrum and obvious ultraviolet absorption peak. After Fe in heme is replaced by Pb, the formed complex pb can exist stably, and the binding capacity of heme ligand to Pb is greater than that of Fe atom, and the chemical stability of complex pb is also better than that of heme.