A three-component protocol was adopted to efficiently prepare new bis(pyrazolo[1,5-a]pyrimidines) linked to different spacers in 80-92% yields from 1H-pyrazole-3,5-diamines, malononitrile and bis(aldehydes). The p-xylene-linked bis(pyrimidine) bearing 3-positioned 4-methoxy-benzyl substituent had the best antibacterial activity with MIC / MBC values up to 2.2 / 4.4 µm.

Transition metal complexes of copper subgroup metals are actively studied objects for temperature sensors. Their luminescence arising from the 3ILCT, 3MLCT or 3CC excited states is characterized by emission in all ranges of visible spectra and high quantum yields. Due to the ability of the complexes to emit in a dual band mode, these complexes are attractive for the temperature sensing in the ratiometric mode. Dual emission of complexes is usually susceptible of the irregular changes in intensity of two emission bands during the temperature changes. This is an important and necessary property for the utilization of phosphors as ratiometric thermometers. The structures and emission properties of gold(i) and copper(i) complexes are considered with the aim to demonstrate the possibility to apply such complexes as ratiometric molecular luminescent thermometers for the remote control of the object’s temperature.

The effect of the support nature (SiO2, Al2O3, SiO2–Al2O3) on the catalytic performance of Ni-based catalysts prepared by the incipient wetness method was explored in the dry reforming of methane reaction, and the catalysts were characterized by TG-DTA, SEM-EDX, XRD and UV-VIS methods. The results demonstrate that NiO supported on SiO2-modified Al2O3 exhibits superior catalytic performance in methane dry reforming in the temperature range of 650–700 °C.

Polypeptide-based doxorubicin delivery systems were prepared and their physicochemical and functional properties, such as size, encapsulation efficiency, stability, release of doxorubicin in various media and cytotoxicity, were characterized. An in vivo study revealed an effective reduction of tumor growth when these systems were administered subcutaneously.

Chalcogen bonding-driven interaction of 1,2,5-chalcogena- diazoles with charged and neutral Lewis bases is discussed. It is highlighted that this interaction is a promising method for optically-detected recognition and sensing of the bases, and, at one, for the formation of otherwise challenging chemical bonds.

Novel class of multicomponent quinolone antibiotics,crystalline hydrogen peroxide adducts of nalidixic acid C12H12N2O3 · H2O2 and ciprofloxacin C17H18F1N3O3 · 5 H2O2, were prepared from highly concentrated hydrogen peroxide, and their structures were determined by X-ray crystallography. The second compound contains decameric H-bonded hydrogen peroxide clusters, which makes this substance one of the richest in hydrogen peroxide among organic peroxosolvates.

Recent achievements in molecular modeling of reaction mechanisms of the enzymatic ATP conversion to ADP or cAMP are discussed. Both of these reactions are initiated by the nucleophilic attack of an oxygen atom, but the P–O bridging bond cleavage occurs via different mechanisms, dissociative and associative. These mechanisms differ in the order of formation and cleavage of P–O bonds. For ATP ases, the dissociative mechanism is assumed, whereas ATP conversion to the cAMP occurs via associative mechanism. We suggest a novel approach based on the molecular dynamics simulations with combined quantum mechanics/molecular mechanics potentials of the enzyme–substrate complexes that can discriminate dissociative and associative reaction pathways by analysis of length distributions of the cleaving and forming P–O bonds.

A complex of mixed carboxylate pentafluorobenzoate (pfb) and phenylacetate (PhAc), viz. [Tb2(phen)2(pfb)2(PhAc)4] (phen is 1,10-phenanthroline), where each rare earth element (REE) ion is simultaneously coordinated to pentafluorobenzoic and phenylacetic acid anions, was for the first time synthesized and structurally characterized. To evaluate the influence of the second type of anion on the structure and photoluminescent properties, compounds with phenylacetic acid anions [Tb2(phen)2(PhAc)6] and pentafluorobenzoic acid anions [Tb2(EtOH)2(phen)2(pfb)6] were obtained. A change in the composition of the compounds from the phenylacetic acid anion to pentafluorobenzoate led to a change in the geometry of the metal scaffold and the REE polyhedron, a rearrangement of the system of non-covalent interactions according to the Hirshfeld surface analysis, and enhanced luminescence.

A systematic study of the UV light-induced degradation of a series of structurally similar conjugated polymers revealed important relationships between the molecular structure of the used building blocks and photostability of the resulting materials. These findings form a set of important guidelines for future rational design of new absorber materials for efficient and stable organic solar cells.

A new method has been developed for synthesizing nitron-type 1,4-dyaryl-3-arylamino-1,2,4-triazolium salts through a stepwise reaction of N,N'-diarylcarbodiimides with aryl hydrazines, trimethyl orthoformate and Me3SiCl. These salts have been utilized as NHC-proligands to prepare novel (NHC)2NiCl2 and (NHC)NiCpCl (Cp = cyclopentadienyl anion) complexes. Catalytic trials of these complexes uncovered a highly effective catalyst for the Suzuki–Miyaura cross-coupling of non-activated aryl chlorides.

The ionic liquid choline cinnamate was applied for the first time as a defect passivator in light-absorbing layers of perovskite solar cells (PSCs). It was found that bulk passivation with an addition of 0.5% ionic liquid notably enhances the photothermal stability of PSCs, while surface passivation leads to the opposite effect with the loss of device stability, due to the complex origin of the influence of choline cinnamate on the defect structure and microstructure of hybrid halide perovskites.

Negatively charged polycomplexes have been prepared by electrostatic complexation of synthetic cationic poly(diallyldimethylammonium chloride) with excess anionic sodium alginate. These polycomplexes exhibit pronounced antimicrobial activity due to the biodegradation of the alginate matrix and the release of the biocidal polycation. The results obtained are promising for the development of simultaneously attractive and toxic polymer constructs capable of destroying microorganisms.