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类似卤素的 Al 团簇模拟砹的性质。

Halogen-like properties of the Al cluster mimicking astatine.

机构信息

Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, Apdo. Post. 70-646, 04510, Ciudad de México, Mexico.

出版信息

Phys Chem Chem Phys. 2018 May 3;20(17):11549-11553. doi: 10.1039/c8cp00494c.

Abstract

Astatine-211 is considered to be one of the most promising alpha-emitters in targeted alpha therapy (TAT). However, its development has been hindered by its not so well understood chemistry. Hence, any attempt to understanding it better is imperative. Here, we show through DFT calculations that the neutral endohedral Al13 cluster follows a reactivity pattern very similar to At, more than any other halogen. The halogen and alkali bonding with Al13 and At presented a strong similarity in their charge transfer processes. Moreover, upon the interchange of At with Al13, we found a stable configuration of the compound corresponding to the astatination of aryliodonium salts, which have been considered as possible precursors for the synthesis of 211At-labeled tracers. Our results provide promising proof of concept that the Al13 cluster mimics the behaviour of At and might help in better understanding its chemistry and in streamlining the chemical processes of radiolabeling biomolecules.

摘要

锕-211 被认为是靶向 α 治疗(TAT)中最有前途的 α 发射体之一。然而,由于其化学性质尚未得到很好的理解,其发展受到了阻碍。因此,任何试图更好地理解它的尝试都是必要的。在这里,我们通过 DFT 计算表明,中性内包 Al13 团簇遵循的反应性模式与 At 非常相似,比任何其他卤素都更相似。Al13 和 At 的卤素和碱键合在其电荷转移过程中表现出很强的相似性。此外,在将 At 与 Al13 互换后,我们发现了相应的化合物的稳定构型,该化合物对应于芳基碘鎓盐的放射性标记,芳基碘鎓盐已被认为是合成 211At 标记示踪剂的可能前体。我们的结果提供了有希望的概念证明,即 Al13 团簇模拟了 At 的行为,这可能有助于更好地理解其化学性质,并简化生物分子的放射性标记化学过程。

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