Halogen-like properties of the Al13 cluster mimicking astatine

文献情報

出版日 2018-04-04

DOI 10.1039/C8CP00494C

インパクトファクター 3.676

著者

B. Molina, J. R. Soto, J. J. Castro

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要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Halogen-like properties of the Al13 cluster mimicking astatine

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