The aim of the study was to assess the groundwater quality in a rural area affected by the abandoned pyrite ash waste dumps. The abundance of major ions in groundwater depends largely on the nature of the rocks, climatic conditions, and mobility. To evaluate geochemical processes, 30 groundwater samples collected from Valea Calugareasca, Prahova County, Romania, were analyzed for the major anions (NO₃⁻, SO₄²⁻_, Cl⁻, HCO₃⁻, and F⁻) and cations (Ca^2+, Mg²⁺, Na⁺, and K⁺), which are naturally highly variable due to climatic and geographical location conditions. Ca²⁺, Na⁺, Mg²⁺, and K⁺ varied between 118 and 275 mg/L, 32 and 160 mg/L, 12.2 and 78.4 mg/L, and 0.21 and 4.48 mg/L, respectively. NO₃⁻ levels exceeding the World Health Organization (WHO) limit of 50 mg/L were identified in 17% of the groundwater samples, mainly as result of fertilizers applied to agricultural activities. The hydrogeochemical study identified dolomite dissolution and halite precipitation as natural sources of ions as well as the presence of pyrite as a source of SO₄²⁻ ions in 60% of the samples. The sulfate content varied between 125 and 262 mg/L. Bicarbonate and chloride concentrations varied between 202 and 530 mg/L and 21 and 212 mg/L. The saturation index indicates the contribution of Ca²⁺ ions in the groundwater samples came from some processes of dissolving rocks such as aragonites (values between 1.27 and 2.69) and calcites (values between 1.43 and 2.82). Negative halite values indicated that salt accumulation results from precipitation processes. Only 10% of the analyzed groundwater samples were suitable for human consumption, the samples being situated on the hill, far away from the pyrite ash waste dumps and agricultural land.

A computational study on three related derivatives of 5-[(azulen-1-yl)methylene]-2-thioxoimidazolidin-4-one was conducted using density functional theory by calculating a series of molecular descriptors and properties of their optimized geometries (electrostatic and local ionization potentials, molecular frontier orbitals, etc.). Thermodynamic properties (zero-point energy, enthalpy, constant volume heat capacity, entropy and Gibbs energy) for these derivatives have been calculated and related to ligands electrochemical behavior. Reduction and oxidation potentials have been correlated to their calculated energy levels for LUMO and HOMO orbitals. Chemically modified electrodes based on these derivatives have been tested in view of heavy metal ions recognition, and their detection limits have been correlated to the calculated values of electron affinity.

Chemically modified electrodes (CMEs) based on polymeric films of E-5-((5-isopropyl-3,8-dimethylazulen-1-yl) diazenyl)-1H-tetrazole (L) deposited on the surface of the glassy carbon electrode have been used for the recognition of heavy metal (Me) ions. The electrochemical study of L was done by three methods: differential pulse voltammetry (DPV), cyclic voltammetry (CV), and rotating disk electrode voltammetry (RDE). The CV, DPV, and RDE studies for L were performed at different concentrations in 0.1 M tetrabutylammonium perchlorate solutions in acetonitrile. The polymeric films were formed by successive cycling or by controlled potential electrolysis (CPE). The film formation was proven by recording the CV curves of the CMEs in ferrocene solution. The CMEs prepared at different charges or potentials were used for detection of heavy metal ions. Synthetic samples of heavy metal ions (Cd(II), Pb(II), Cu(II), Hg(II)) of concentrations between 10⁻⁸ and 10⁻⁴ M were analyzed. The most intense signal was obtained for Pb(II) ion (detection limit of about 10⁻⁸ M). Pb(II) ion can be detected by these CMEs in waters at such concentrations. The ability of the ligand L to form complexes with Pb(II) and Hg(II) ions was also tested by UV-Vis spectrometry. The obtained results showed the formation of Me(II)L₂ complexes.

New aspects of the Ni(II)-salophen complex and salophen ligand precursor were found during deep electrochemical and optical characterization, as well as biological studies for new pharmacological applications. Physicochemical and spectroscopic methods (¹H- and ¹³C-NMR, FT-IR and UV-Vis, electrospray ionization mass spectroscopy, thermogravimetric analysis, and molar conductance measurements) were also used to prove that the salophen ligand acts as a tetradentate and coordinates to the central metal through nitrogen and oxygen atoms. The electrochemical behavior of the free Schiff salophen ligand (H₂L) and its Ni(II) complex (Ni(II)L) was deeply studied in tetrabutylammonium perchlorate solutions in acetonitrile via CV, DPV, and RDE. Blue films on the surfaces of the electrodes as a result of the electropolymerization processes were put in evidence and characterized via CV and DPV. (H₂L) and Ni(II)L complexes were tested for their antimicrobial, antifungal, and antioxidant activity, showing good antimicrobial and antifungal activity against several bacteria and fungi.

Testing the feasibility of soil phytoremediation requires the development of models applicable on a large scale. Phytoremediation mechanisms include advanced rhizosphere biodegradation, phytoaccumulation, phytodegradation, and phytostabilization. The aim of this study was to evaluate the phytoremediation potential of the Sinapis alba. Identification of the factors influencing the extraction process of metals from contaminated soils in a laboratory system suitable for evaluating the phytoavailability of these metals in three solutions (M1-CaCl₂, M2-DTPA, and M3-EDTA) included the following: distribution of metals in solution (Kd), soil properties and mobile fractions (SOC, CEC, pH), response surface methodology (RSM), and principal component analysis (PCA). The evaluation of the phytoremediation potential of the Sinapis alba plant was assessed using bioaccumulation coefficients (BACs). The accumulation of heavy metals in plants corresponds to the concentrations and soluble fractions of metals in the soil. Understanding the extractable metal fractions and the availability of metals in the soil is important for soil management. Extractable soluble fractions may be more advantageous in total metal content as a predictor of bioconcentrations of metals in plants. In this study, the amount of metal available in the most suitable extractors was used to predict the absorption of metals in the Sinapis alba plant. Multiple regression prediction models have been developed for estimating the amounts of As and Cd in plant organs. The performance of the predictive models generated based on the experimental data was evaluated by the adjusted coefficient of determination (aR2), model efficiency (RMSE), Durbin–Watson (DW) test, and Shapiro–Wilk (SW) test. The accumulation of the analyzed metals followed the pattern Root > Pods > Leaves > Seeds, stems > Flowers for As and Leaves > Root > Stem > Pods > Seeds > Flowers for Cd in soil contaminated with different metal concentrations. The obtained results showed a phytoremediation potential of the Sinapis alba plant.