Spectroscopic Analysis and Density Functional Theory Calculations of Mercaptobenzothiazole
1Spectroscopic Analysis and Density Functional Theory Calculations of Mercaptobenzothiazole and Mercaptobenzimidazole Ligands and their Rhenium and Technetium Complexes
Layman Abstract : This study focused on creating and analyzing four chemical compounds containing the [ReO]³⁺ core. One of these compounds, [ReO(MBT)₂OH], was synthesized by reducing ReO₄⁻ with sodium borohydride. Various scientific techniques, including spectroscopy and thermogravimetric analysis, were used to study these compounds.
At the radioactive tracer level, a technetium-based (99mTc) compound was created, showing high purity (over 95%) and good stability in lab tests. Experiments in mice revealed that the compound accumulated in the heart and remained there for an extended period, suggesting it could be useful for heart imaging in medical applications.
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Original Abstract : In this study, four complexes featuring the [ReO]³⁺ core by substituting precursors RO(citrate)₂⁻ and ReO(gluconate)₂⁻ were synthesized. The complex [ReO(MBT)₂OH] was obtained through the direct reduction of ReO₄⁻ using sodium borohydride as the reducing agent. Characterization of these complexes was conducted using UV-Vis and IR spectroscopy, elemental analysis, 1H and 13C NMR spectroscopy, thermogravimetric analysis (TGA), and density functional theory (DFT) calculations.
At the technetium tracer level, a 99mTcO-complex was synthesized using 99mTc-gluconate as a precursor. The radiochemical purity of the complex exceeded 95%, as measured by thin-layer chromatography. In vitro studies demonstrated that the complex exhibited good stability under physiological conditions, with a partition coefficient indicating its hydrophilic nature. Biodistribution studies in mice revealed significant heart accumulation, with uptake at 10.23±3.87% ID/g at 5 minutes and good retention at 6.86±1.21% ID/g at 60 minutes. One-hour post-injection, the heart/liver, heart/lung, and heart/blood radioactivity ratios were 0.71, 1.1, and 0.95, respectively. These findings suggest that the complex may be suitable for myocardial imaging.
View Book: https://doi.org/10.9734/bpi/cmsdi/v10/4042
#Oxo_rhenium_complexes #mercapto_1_3_azole_ligands #heterocyclic_thiolates #DFT #99mTcO_complex