The encapsulation of the famous alkaloid, anabasine, with β-CD was studied to obtain a more stable and bioavailable inclusion complex. Various in silico and experimental studies of the obtained β-CD-anabasine complex are presented. Firstly, molecular docking studies were conducted against the α, β, and γ cyclodextrins to explore which subclass is the best for encapsulation. The obtained results that pointed at β-cyclodextrin were further confirmed by five MD simulations and MM-PBSA studies. Experimentally, the spectral properties of the anabasine β-cyclodextrin complex were determined by FT-IR, ¹H, and ¹³C-NMR spectroscopic methods. Additionally, the surface morphology of the anabasine β-cyclodextrin was investigated using a scanning electron microscope. Furthermore, the outputs of the thermographic measurements utilizing a differential scanning calorimeter were displayed. The activation energy of the reaction of thermo-oxidative destruction of the clathrate complex was calculated, and the kinetic parameters of the thermal destruction processes were decided using the Freeman–Carroll, Sharpe–Wentworth, Achar, and Coates–Redfern methods. The kinetic parameters of the thermal decomposition of the anabasine β-cyclodextrin were in agreement and verified the reliability of the obtained results. The obtained computational, spectral, morphological, and thermogravimetric results verified the successful formation of the anabasine β-cyclodextrin complex.

A composite based on amino-containing humic acid with the immobilization of multi-walled carbon nanotubes preliminarily tuned to a copper ion has been obtained. The synthesis of a composite pre-tuned for sorption by the local arrangement of macromolecular regions was obtained by introducing multi-walled carbon nanotubes and a molecular template into the composition of humic acid, followed by copolycondensation with acrylic acid amide and formaldehyde. The template was removed from the polymer network by acid hydrolysis. As a result of this tuning, the macromolecules of the composite “remember” conformations that are favorable for sorption, i.e., adsorption centers are formed in the polymer network of the composite, capable of repeated, highly specific interaction with the template and the highly selective extraction of target molecules from the solution. The reaction was controlled by the added amine and by the content of oxygen-containing groups. The structure and composition of the resulting composite were proven by physicochemical methods. A study of the sorption properties of the composite showed that after acid hydrolysis, the capacity increased sharply compared to a similar composite without tuning and a composite before hydrolysis. The resulting composite can be used as a selective sorbent in the process of wastewater treatment.

In this study, the characteristics of coal sorbents obtained by the activation of coke fines in an atmosphere of a mixture of gases CO₂ and H₂O were studied. The experiment was conducted at various temperatures (700–900 °C), activation time (60–180 min), and constant CO₂ supply rate (0.5 L/min). The main parameters such as tinder, ash content, bulk density, sorption capacity, total pore volume, and specific surface area were analyzed to assess the efficiency of the process. The results showed that samples of sorbents obtained at a temperature of 800 °C and an activation time of 120 min have the highest sorption capacity for iodine (up to 64.77%). The specific surface area of the obtained carbon sorbents was ~432.6 m²/g. It was found that an increase in temperature to 900 °C leads to a decrease in sorption characteristics, which may be due to partial destruction of the porous structure of the material. It was also found that the duration of activation contributes to an increase in burn-off and ash content, which had an effect on sorption properties. Based on the data obtained, optimal conditions for the production of carbon sorbents have been established and a process model has been developed.

Bimetallic Ni/Cu core–shell and Cu-Ni heterostructural micro- and nanoparticles were prepared using two simple successive reduction procedures. Monometallic Ni and Cu particles were synthesized for comparison. The phase constitutions and morphological features of the particles were studied by means of X-ray diffraction, energy-dispersive X-ray spectroscopy, and scanning electron microscopy methods. All the prepared mono- and bimetallic particles were applied as electrocatalysts in the electrohydrogenation of p-nitrophenol (p-NPh). An additional electrochemical reduction of copper cations during the hydrogen saturation of Cu-containing particles was established. The prepared Ni/Cu particles exhibited the highest electrocatalytic activity with an increase in the hydrogenation rate of p-NPh by more than three times compared to its electrochemical reduction on the nonactivated cathode, and p-NPh conversion yielded the maximum values. The main product of p-NPh electrocatalytic hydrogenation over Ni-Cu particles is p-aminophenol, which is an intermediate in the synthesis of many drugs. p-Aminophenol formation is confirmed by UV-Vis spectra.

The possibility of obtaining effective coal sorbents from a low-liquid product of coke chemical production—coke fines—has been studied. To obtain a coal sorbent, coke fines with a size of ≤10 mm were crushed and sieved to obtain a fraction of 2–5 mm. The resulting fraction was activated in a specially designed reactor at 850 °C with steam treatment. Activation was carried out at different durations of the process: 60, 90, and 120 min. It was found that the sample obtained with a process duration of 120 min has the best indicator for the ability to remove phenol from aqueous solutions (74.94 mg/g) and methylene blue (145 mg/g). When cleaning tap water with the resulting carbon sorbent, there is a decrease in the content of calcium, sulfates, and bicarbonate and a decrease in total mineralization. Obtained activated carbon was studied by scanning electron microscopy, low-temperature nitrogen adsorption (BET), and FTIR spectroscopy. It was found that the resulting activated carbon has a porous structure consisting of meso- and macropores, and the specific surface value was ~301 m²/g. The presence of high-intensity absorption bands corresponding to acid functional groups has also been established.