Atomistic Origin of Selective Cs Accumulation in Mushrooms: DFT Analysis for Alkali Metal Cation Complexation Selectivity of Scissors-like Pigments,ACS Food Science & Technology

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Atomistic Origin of Selective Cs Accumulation in Mushrooms: DFT Analysis for Alkali Metal Cation Complexation Selectivity of Scissors-like Pigments
ACS Food Science & Technology ( IF 2.6 ) Pub Date : 2021-08-23 , DOI: 10.1021/acsfoodscitech.0c00158
Hiroya Suno ₁ , Masahiko Machida ₁

Affiliation

Generally, fungi accumulate radioactive Cs much more than higher plants. Particularly, some species of fungi have been well-known to selectively accumulate high amounts of radioactive Cs (¹³⁴Cs, ¹³⁷Cs) released by nuclear accidents in their fruiting bodies compared with other species. This is a highly concerning issue in the contaminated forest areas, because consumption of mushrooms is one of the main routes of internal radiation for the residents in addition to consumption of other contaminated forest foods. So far, several investigations have focused on only one pigment molecule, norbadione A, observed mainly inside the mushroom caps, selectively complexing Cs cations, although there exists a huge variety of pigment molecules inside mushrooms. Here, we examine systematically which type of pigment molecules can selectively complex Cs cations by using a state-of-the-art computational technique. We consequently find that a symmetric scissors-like structure, formed with two equivalent pulvinic acid moieties, is crucial for the Cs complexation selectivity, from comparative analysis among four scissors-like pigments. We thus predict that mushroom species including such symmetric scissors-like pigments can retain high Cs radioactivity.

中文翻译：

蘑菇中选择性 Cs 积累的原子起源：剪刀状颜料碱金属阳离子络合选择性的 DFT 分析

通常，真菌比高等植物积累更多的放射性 Cs。特别是，众所周知，某些种类的真菌会选择性地积累大量放射性 Cs ( ¹³⁴ Cs, ¹³⁷与其他物种相比，核事故在其子实体中释放的 Cs)。这是受污染林区的一个高度关注的问题，因为除了食用其他受污染的森林食品外，食用蘑菇是居民体内辐射的主要途径之一。到目前为止，一些研究只关注一种色素分子，降冰片酮 A，主要在蘑菇帽内部观察到，选择性地络合 Cs 阳离子，尽管蘑菇内部存在种类繁多的色素分子。在这里，我们通过使用最先进的计算技术系统地检查哪种类型的色素分子可以选择性地复合 Cs 阳离子。因此，我们发现对称的剪刀状结构，由两个等价的 pulvinic 酸部分形成，根据四种剪刀状颜料之间的比较分析，Cs 络合选择性至关重要。因此，我们预测包括这种对称剪刀状色素在内的蘑菇物种可以保留高 Cs 放射性。

更新日期：2021-09-17

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