Rare diseases affect a small part of the population, and the most affected are children. Because of the low availability of patients for testing, the pharmaceutical industry cannot develop drugs for the diagnosis of many of these orphan diseases. In this sense, the use of benzothiazole compounds that are highly selective and can act as spectroscopy probes, especially the compound 2-(4'-aminophenyl)benzothiazole (ABT), has been highlighted. This article reports the design of potential contrast agents based on ABT and iron to develop a new material with an efficient mechanism to raise the relaxation rate, facilitating diagnosis. The ABT/δ-FeOOH hybrid material was prepared by grafting (N-(4'-aminophenyl) benzothiazole-2-bromoacetamide) on the surface of the iron oxyhydroxide particles. FTIR spectra confirmed the material formations of the hybrid material ABT/δ-FeOOH. SEM analysis checked the covering of nanoflakes' surfaces in relation to the morphology of the samples. The theoretical calculations test a better binding mode of compound with iron oxyhydroxide. Theoretical findings show the radical capture mechanism in the stabilization of this new material. In this context, Fe3+ ions are an electron acceptor from the organic phase.

Department of Chemical Engineering Federal University of São Carlos São Carlos 13565 905 SP Brazil

Department of Chemistry Faculty of Science University of Hradec Kralove 50000 Hradec Kralove Czech Republic

Department of Chemistry Federal University of Lavras No 37 Lavras 37200 900 MG Brazil

Department of General Formation Federal Center of Technological Education of Minas Gerais Varginha Avenida dos Imigrantes 1000 Panorama Garden Varginha 37022 560 MG Brazil

Federal Institute of North Minas Gerais Campus Pirapora Avenue Humberto Mallard 1355 Santos Dumont Pirapora 39270 000 MG Brazil

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