Computational investigation o n copper-a ssisted radioiodine exhange of Meta-iodobenzylguanid ine in ammonium sulfate matrix

Meta-iodobenzylg uanidine co ntains a be nzyl and a guanidine group. Neuroendocrine cells take u p MIBG t hrough an a ctive mechanism and store it in the neurosecretory gra nules. Sever al methods for radioiodination of MIBG we re investigated, based on nucleophilic isotopic exchang e. These synthetic methods have produced varying radi ochemical yields, which in some cas es have been close to q uantitative [ ۱]. A new synthetic method by the simultaneous presence of copper and ammonium sulfate was used. In this method CuSO۴ and ammonium sulfate are simultane ously added to the reaction. A reducing agent isn’t added directly to m edium, but obtained i odine from reducing Cu۲+ is reduce d by productive SO۲ gas from thermal decomposition (de ammoniation) of ammo nium sulfate [۲].Furthe rmore, it is anticipated that the for mation of complex from copper and ammonia at high temperature, the activation energy barrier decreases and favorable effects on yield and re action rate d oes. In this claim with evidence of quantum mechanics is i nvestigated and proven. Also, reacti on mechanism by DFT c omputations has been carefully reviewed.

کلیدواژه ها:

Meta-iodobenzyl guanidine ، A mmonium S ulfate ، DFT ، Thermodynamical Prorep rties