A Peptoid-Based Combinatorial and Computational Approach to Developing Ligands for Uranyl Sequestration from Seawater
A Peptoid-Based Combinatorial and Computational Approach to Developing Ligands for Uranyl Sequestration from Seawater
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DOI：
10.1021/acs.iecr.5b03500
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发表时间：
2016-04-20
影响因子：
4.2
通讯作者：
Francis, Matthew B.
中科院分区：
文献类型：
--
作者：
Parker, Bernard F.;Knight, Abigail S.;Francis, Matthew B.
通过使用聚合物吸附剂从海水中提取铀酰的选择性结合有望成为核能的可持续铀来源。一个组合合成的类肽库（N-取代的甘氨酸寡聚物）进行筛选的铀酰结合的目标是确定高亲和力的配体用于聚合物吸附剂。定性筛选技术使用染料，偶氮胂III，确定了三个铀酰结合序列，所有这些都只含有羧酸作为活性结合基团。通过监测类肽荧光在铀酰结合后的减少，荧光光谱法用于确定所鉴定的类肽之一的解离常数。使用密度泛函理论计算来模拟这些序列的溶液状态结合，以了解有利的结合模式和几何形状。
The selective binding of uranyl for extraction from seawater by using polymer sorbents holds promise as a sustainable source of uranium for nuclear energy. A combinatorially synthesized peptoid library (N-substituted glycine oligomers) was screened for uranyl binding with the goal of identifying high-affinity ligands for use in polymer sorbents. Qualitative screening techniques using a dye, arsenazo III, identified three uranyl-binding sequences, all of which contained only carboxylic acids as the active binding groups. Fluorescence spectroscopy was used to determine a dissociation constant for one of the identified peptoids by monitoring the decrease in peptoid fluorescence upon uranyl binding. Density functional theory calculations were used to model the solution-state binding of these sequences to understand favored binding modes and geometries.