Metal (M = Cr, Mo, W, Re) carbonyl complexes with porphyrin and carborane isocyanide ligands: light-induced oxidation and carbon oxide release for antitumor efficacy.

The tetrapyrrolic macrocycle as a scaffold for various chemical modifications provides broad opportunities for the preparation of complex multifunctional conjugates suitable for binary antitumor therapies. Typically, illumination with monochromatic light triggers the photochemical generation of reactive oxygen species (ROS) (photodynamic effect). However, more therapeutically valuable effects can be achieved upon photoactivation of tetrapyrrole derivatives.

Complexes of Hydrogen Peroxide, the Simplest Chiral Molecule, with L- and D-Serine Enantiomers and Their Clusters: MP2 and DFT Calculations.

The interaction between natural amino acids and hydrogen peroxide is of paramount importance due to the widespread use of hydrogen peroxide in biological and environmentally significant processes. Given that both amino acids and hydrogen peroxide occur in nature in two enantiomeric forms, it is crucial to investigate the formation of complexes between them, considering the role of molecular chirality. In this work, we report a theoretical study on the hydrogen peroxide enantiomers and their interactions with L- and S-serine and their clusters.

BODIPY derivatives modified with carborane clusters: synthesis, characterization and DFT studies.

An efficient approach for the preparation of 3,5-dicarborane-substituted BODIPY conjugates was developed the functionalization of 3,5-dibromo-8-pentafluorophenyl-BODIPY with neutral and anionic carborane -nucleophiles. It was found that 3,5-dicarborane-substituted BODIPYs could be easily modified with a third carborane cluster using SAr substitution reactions of the -fluorine atom in the -pentafluorophenyl BODIPY substituent with the corresponding carborane -nucleophile affording boron-enriched BODIPYs in good yields. The influence of bromine atom substitution with carborane moieties on the position of absorption and fluorescence bands and the fluorescence quantum yields of the prepared BODIPYs were analyzed.

Synthesis, Characterization and DFT Study of a New Family of High-Energy Compounds Based on -Triazine, Carborane and Tetrazoles.

An efficient one-pot synthesis of carborane-containing high-energy compounds was developed via the exploration of carbon-halogen bond functionalization strategies in commercially available 2,4,6-trichloro-1,3,5-triazine. The synthetic pathway first included the substitution of two chlorine atoms in -triazine with 5-R-tetrazoles (R = H, Me, Et) units to form disubstituted tetrazolyl 1,3,5-triazines followed by the sequential substitution of the remaining chlorine atom in 1,3,5-triazine with carborane N- or S-nucleophiles. All new compounds were characterized by IR- and NMR spectroscopy.