Boron-containing compounds are actually widely used as insecticides, bactericides, reducing reagents (organic chemistry), catalysts, materials for the production of some types of ceramics, the liquid crystal components, temperature-resistant polymers and many others. As potential drugs, they were met with great interest in cancer therapy using technique called “Boron Neutron Capture Therapy” (BNCT). The idea of this therapy is based on the fact that we target molecules containing boron isotope ¹⁰B into the tumor cells or in their direct surrounding. Tumor tissue is subjected to irradiation in a stream of slow neutrons. Boron atoms are able to capture neutron and as a result, they disintegrate with emittion of alpha particles. Nowadays, scientists test a big variety of boron carriers including: amino acids, sugars, lipids, porphyrins, DNA-oligonucleotides and their components-nucleosides. Carboranes are boron cage systems in which one or more carbon atoms are bound as an integral part of electron-delocalized borane framework. They are characterized by high boron content, remarkable thermal and chemical stability, spherical geometry and high hydrophobicity. Hydrophobicity is the main reason why particularly important are reactions of boron clusters with macromolecules in aqueous or aqueous-organic solutions.

Techniques of mass spectrometry (ESI-MS/MS) are not common for analysis of compounds containing boron. This is due to the generation of complex spectra related to the natural content of boron isotopes ¹⁰B and ¹¹B. However, these techniques have the high possibilities of throughput for sample analysis.

Analyzed compounds were carborane and carborane metal complexes adducts of dioxane that were generated in order to react with biomolecules. We proved that in an aqueous-organic solution undergo structural modifications in the structure of the dioxane ring of cluster boron adduct. Mechanism of structure modification was determined as binding of the water molecule that is shown below:

Observed modification in structure of boron cluster dioxane adduct had a direct impact on further ability to react with macromolecules.

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