It is shown that the electronic virial-based correlation should be used to estimate bonding contributions to the rigidity of molecular vibrations in crystals.

Water-soluble blue-emitting gold nanoclusters have been synthesized using dsDNA as a template without any additional reducing agent. The features of the formed nanoclusters have been revealed by fluorescence and electronic absorption spectroscopy as well as transmission electron microscopy. The prepared gold nanoclusters have been highly stable at physiological pH without any further modification.

The oxidative dehydrogenation of ethane into ethylene using CO2 as an oxidant at temperatures of 650–750 °C was carried out over Fe/C, Cr/C and Fe–Cr/C catalysts deposited on a carbon support. Before and after the reaction the catalysts were investigated by X-ray powder diffraction (XRD), in situ magnetometry and transmission electron microscopy methods. The correlation between activity of Fe/C, Cr/C and Fe–Cr/C catalytic systems and their phase composition was established.

Acetylene reacts with 2-aminopyridines in the superbase system KOBut/DMSO (the initial acetylene pressure ∼8 atm, 80 °C, 5 min) to give 2,3-dimethylimidazo[1,2-α]-pyridines in up to 60% yields. In the case of 2-amino-5-chloropyridine, along with ‘normal’ product, (Z)-5-chloro- N-[2-(2,3-dimethylimidazo[1,2-α]pyridin-6-yl)vinyl]pyridin-2-amine is formed in 40% yield. These multi-molecular assemblies involve parallel nucleophilic addition of N-centered anions to the triple bond and ethynylation of the forming C=N bond.

The first insight into the nature of intramolecular interactions in the CaII–CuII alanine hydroximate metallacrowns is provided on the basis of the invariom refinement and DFT calculations.

The ability of hydrogels based on acrylate derivatives of polyethylene glycol (PEG) with different ratios of monomers to swell and degrade, as well as their behavior during heating, have been explored. The possibility to control the swelling and degradation processes in the model medium by varying the ratio of PEG-methacrylate (PEGMA) and PEG-diacrylate (PEGDA) monomers was demonstrated.

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.