The use of lanthanides as radionuclides in nuclear medicine is well-known, because they can be used for detecting and treating cancerous tumors. Due to the fact that the doses are directly related to the number of unstable atoms involved, the possibility of obtaining controlled-size lanthanide nanoparticles opens a wide scope for their application in nuclear medicine. In this work, we report the synthesis of anew samarium nanoparticle by using the bioreduction method, where the pH conditions play an important role in the size control of the produced clusters. The nanoparticles were characterized by using an transmission electron microscope, in addition to the use of a quantum mechanical method to relate the atomic and electronic structures to the chemical selectivity, which allows us to predict a direct coordination between the DTPA-bis-biotin molecules with the samarium nanoparticles larger than 55 atoms. This work involves experimental and theoretical methods to propose a totally new application for nanotechnology in nuclear medicine.