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In the mol­ecule of the title compound, [HgCl2(C10H9N3)], the HgII atom is four-coordinated in a distorted tetra­hedral configuration by two N atoms from the chelating di-2-pyridylamine ligand and by two Cl atoms. In the crystal structure, inter­molecular N—H⋯Cl hydrogen bonds link the mol­ecules into centrosymmetric dimers. There is a π–π contact between the pyridine rings [centroid–centroid distance = 3.896 (5) Å].

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Abstract4-Methylcoumarin-7-yloxy-N-phenyl acetamide and 4-methylcoumarin-7-yloxy-N-4-nitrophenyl acetamide were synthesized and used as new ionophores in the carbon paste matrix to produce two novel potentiometric modified electrodes. The selectivity of the electrode changed from copper (II) to chromium (III) with the addition of a nitro group to the phenyl ring of the ionophore. The ionophores’ tendency to ions was confirmed by UV–visible spectrophotometry. Both electrodes were modified by multi-walled carbon nanotubes (MWCNTs) as an excellent modifier of carbon paste electrode (CPE). The best sensor response in the case of copper (II) selective CPE was obtained by 5% ionophore, 65% graphite powder, 5% MWCNT, and 25% paraffin oil. In addition, in the case of chromium (III) selective CPE, these conditions are 20% ionophore, 50% graphite powder, 5% MWCNT, and 25% paraffin oil. The copper (II) selective CPE showed a Nernstian slope of 32.15 mV/decade within the concentration range of 1.0 × 10–10–1.0 × 10–1 mol L−1, while chromium (III) selective CPE showed a Nernstian slope of 19.28 mV/decade over the concentration range of 1.0 × 10–10–7.0 × 10–3 mol L−1. The electrodes have short response time of less than 5 s and were used successfully to determine copper (II) in wastewater and to speciation of chromium (III) and chromium (VI).

An idea of employing an iron-assisted carbon (FeC) monolayer for delivery of 2-thiouracil (2TU) was examined in this work by analyzing structural features for singular and bimolecular models. Density functional theory (DFT) calculations were performed for optimizing the structures and evaluating molecular and atomic descriptors for analyzing the models systems. Two bimolecular models were obtained assigning by S-FeC and O-FeC models, in which each of S and O atom of 2TU was relaxed towards the Fe region of FeC surface in the mentioned models, respectively. The results indicated that both models were achievable with slightly more favorability for formation of S-FeC model. The obtained molecular orbital properties revealed the dominant role of FeC monolayer for managing future interactions of attached 2TU, which is indeed a major role for employing nanomaterials for targeted drug delivery purposes. In addition to energies and molecular orbital features, atomic quadrupole coupling constants indicated the benefit of employing FeC monolayer for drug delivery of 2TU.