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Plant parts of sunflower (Helianthus annuus L.): root, stem, leaf, and seed, as well as the soil on which this plant culture was grown were analyzed for the content of As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, and Zn using Optical emission spectrometry with inductively coupled plasma (ICP-OES). The samples were prepared by wet digestion. To assess the degree of bioaccumulation in plant parts and the translocation of the examined elements from the roots to the above-ground plant parts, the Biological Concentration Factor (BCF), Mobility Ratio (MR), and Translocation Factor (TF) were calculated. BCF and MR values are less than 1 for all elements while TF (leaf/root) values for As, Cd, Cu, Fe, and Mn and TF (stem/root) values for Cu are higher than 1.

In this study, we considered some pesticides as active substances within formulations for the protection of plant-based food in the Republic of Serbia in silico, because these pesticides have not often been investigated in this way previously, and in an analytical way, because there are not very many available fast, cheap, and easy methods for their determination in real agricultural samples. Seven pesticides were detected in selected agricultural products (tomatoes, cucumbers, peppers, and grapes) using the QuEChERS methodology and HPLC-DAD. Standard curves for the investigated pesticides (chlorantraniliprole, methomyl, metalaxyl, thiacloprid, acetamiprid, emamectin benzoate, and cymoxanil) show good linearity, with R2 values from 0.9785 to 0.9996. The HPLC-DAD method is fast, and these pesticides can be determined in real spiked samples in less than 15 min. We further characterized the pesticides we found in food based on physicochemical properties and molecular descriptors to predict the absorption, distribution, metabolism, elimination, and toxicity (ADMET) of the compounds. We summarized the data supporting their effects on humans using various computational tools to determine their potential adverse effects. The results of our prediction study show that all of the selected pesticides considered in this study have good oral bioavailability, and those with high toxicity, therefore, could be harmful to human health. Chlorantraniliprole was shown in a molecular docking study as a good starting point for a new Alzheimer’s disease drug candidate.