In the present work, a convenient and straightforward approach to the preparation of borylated amidines based on the closo-dodecaborate anion [B₁₂H₁₁NCCH₃NHR]−, R=H, Alk, Ar was developed. This method has two stages. A nitrile derivative of the general form [B₁₂H₁₁NCCH₃]⁻ was obtained, using a modified technique, in the first stage. On the second stage the resulting molecular system interacted with primary amines to form the target amidine products. This approach is characterised by a simple chemical apparatus, mild conditions and high yields of the final products. The mechanism of the addition of amine to the nitrile derivative of the closo-dodecaborate anion was studied, using quantum-chemical methods. The interaction between NH₃ and [B₁₂H₁₁NCCH₃]⁻ ammonia was chosen as an example. It was found that the structure of the transition state determines the stereo-selectivity of the process. A study of the biological properties of borylated amidine sodium salts indicated that the substances had low toxicity and could accumulate in cancer cells in significant amounts.

The novel members of the 1,2-diboraoxazoles family have been obtained. In the present work, we have carried out the intramolecular ring-closure reaction of borylated iminols of general type [B₁₀H₉N=C(OH)R]⁻ (R = Me, Et, ⁿPr, ⁱPr, ^tBu, Ph, 4-Cl-Ph). This process is conducted in mild conditions with 83–87% yields. The solid-state structures of two salts of 1,2-diboraoxazoles were additionally investigated by X-ray crystallography. In addition, the phenomena of bonding interactions in the 1,2-diboraoxazole cycles have been theoretically studied by the Quantum Theory of Atoms in Molecules analysis. Several local and integral topological properties of the electron density involved in these interactions have been computed.

This study has focused on the structure, bonding, and reactivity analysis of closo-borate anions [B_nH_n]²⁻ (n = 5–12). Several descriptors of B–H interactions have been calculated. It has been found that the values of electron density and total energy at bond critical point are the most useful descriptors for investigation of B–H interactions. Using results from the descriptor analysis, one may conclude that orbital interactions in [B_nH_n]²⁻ increase with increasing the boron cluster size. Several approaches to estimate atomic charges have been applied. Boron atoms in apical positions have more negative values of atomic charges as compared with atoms from equatorial positions. The mean values of boron and hydrogen atomic charges tend to be more positive with the increasing of boron cluster size. Global and local reactivity descriptors using conceptual density functional theory (DFT) theory have been calculated. Based on this theory, the closo-borate anions [B_nH_n]²⁻ (n = 5–9) can be considered strong and moderate electrophiles, while the closo-borate anions [B_nH_n]²⁻ (n = 10–12) can be considered marginal electrophiles. Fukui functions for electrophilic attack have been calculated. Fukui functions correlate well with atomic charges of the closo-borate anions. Boron atoms in apical positions have the most positive values of Fukui functions.

The work is devoted to the theoretical and experimental study of the electrochemical characteristics of the closo-decaborate anion. The regions of electrochemical transformations of the [B₁₀H₁₀]^2– anion for non-aqueous solvents of different structures (acetonitrile, dichloromethane, and tetrahydrofuran) have been studied by the method of cyclic voltammetry. It has been shown that, under the conditions of anodic oxidation, a dimerization product, the [B₂₀H₁₈]^2– anion, is formed. For the synthesis of octadecahydroeicosaborate anion, electrochemical synthesis has been used for the first time.

A two-stage scheme was proposed for the synthesis of alkoxy derivatives of the closo-decaborate anion [B10H9(OR)]2–, where R = C2H5, iso-C3H7, C4H9. At the first stage, the oxonium derivatives with...

Boron neutron capture therapy (BNCT) has been recognized as a very promising approach for cancer treatment. In the case of osteosarcoma, boron-containing scaffolds can be a powerful tool to combine boron delivery to the tumor cells and the repair of postoperative bone defects. Here we describe the fabrication and characterization of novel biodegradable polymer composites as films and 3D-printed matrices based on aliphatic polyesters containing closo-borates (CB) for BNCT. Different approaches to the fabrication of composites have been applied, and the mechanical properties of these composites, kinetics of their degradation, and the release of closo-borate have been studied. The most complex scaffold was a 3D-printed poly(ε-caprolactone) matrix filled with CB-containing alginate/gelatin hydrogel to enhance biocompatibility. The results obtained allowed us to confirm the high potential of the developed composite materials for application in BNCT and bone tissue regeneration.