Ohtsuki Tsutomu, Manjanath Aaditya, Ohno Kaoru, Inagaki Makoto, Sekimoto Shun, Kawazoe Yoshiyuki
Institute for Integrated Radiation and Nuclear Science, Kyoto University Asashiro-Nishi, Kumatori-cho, Sennan-gun Osaka 590-0494 Japan
Institute of Chemistry, Academia Sinica 128 Academia Road, Section 2, Nankang Taipei 11529 Taiwan
RSC Adv. 2021 Jun 1;11(32):19666-19672. doi: 10.1039/d0ra10196f. eCollection 2021 May 27.
The formation of middle- and/or high-weight atom (Mo, Au)-incorporated fullerenes was investigated using radionuclides produced by nuclear reactions. From the trace radioactivities of Mo/Tc or Au after high-performance liquid chromatography, it was found that the formation of endohedral and/or heterofullerene fullerenes in Mo/Tc and Au atoms could occur by a recoil process following the nuclear reactions. Furthermore, the Tc (and Au) atoms recoiled against β-decay remained present inside these cages. To confirm the produced materials experimentally, molecular dynamics (MD) simulations based on an all-electron mixed-basis approach were performed. The possibility of the formation of endohedral fullerenes containing Mo/Tc and Au atoms is verified; here, the formation of heterofullerenes is excluded by MD simulations. These findings suggest that radionuclides stably encapsulated by fullerenes could potentially play a valuable role in diagnostic nuclear medicine.
利用核反应产生的放射性核素研究了掺入中重原子（钼、金）的富勒烯的形成。通过高效液相色谱法测定钼/锝或金的微量放射性，发现钼/锝和金原子中内包和/或杂富勒烯富勒烯的形成可能通过核反应后的反冲过程发生。此外，因β衰变而反冲的锝（和金）原子仍存在于这些笼状结构内部。为了通过实验确认所产生的物质，基于全电子混合基方法进行了分子动力学（MD）模拟。含钼/锝和金原子的内包富勒烯形成的可能性得到了验证；在此，MD模拟排除了杂富勒烯的形成。这些发现表明，被富勒烯稳定包裹的放射性核素可能在诊断核医学中发挥重要作用。
