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Spectroscopic characterization and in silico modelling of polyvinylpyrrolidone as an anion-responsive fluorescent polymer in aqueous media
Supramolecular Chemistry ( IF 3.3 ) Pub Date : 2019-06-29 , DOI: 10.1080/10610278.2019.1630740
Hiu C. Kam 1 , Dineli T. S. Ranathunga 1 , Ethan R. Payne 1 , Ronald A. Smaldone 1 , Steven O. Nielsen 1 , Sheel C. Dodani 1
Affiliation  

ABSTRACT Aqueous anion recognition has been a long-standing challenge in molecular recognition. The use of synthetic polymers is an emerging area of interest due to their conformational flexibility, creating microdomains that favor the desolvation and binding of anions in water. Here, we report that the fluorescence of off-the-shelf polyvinylpyrrolidone (PVP) can be used to detect the presence of not only nitrate, as previously reported, but also nitrite, iodide, and thiocyanate in aqueous media. The extent of quenching and anion affinity is dependent on the solution pH and the molecular weight of PVP, while showing close correlation with the Hofmeister series. Moreover, molecular dynamics simulations support our experimental findings, suggesting that anions associating closest to the surface of PVP quench its fluorescence to the greatest extent. Combined with the versatility of PVP, this fundamental study provides a starting point to confer anion binding properties with a fluorescence output in new materials. Graphical abstract

中文翻译:

聚乙烯吡咯烷酮作为水性介质中阴离子响应荧光聚合物的光谱表征和计算机模拟

摘要水性阴离子识别一直是分子识别领域的一个长期挑战。合成聚合物的使用是一个新兴的兴趣领域,因为它们具有构象灵活性,可产生有利于水中阴离子去溶剂化和结合的微域。在这里,我们报告说,现成的聚乙烯吡咯烷酮 (PVP) 的荧光不仅可用于检测硝酸盐的存在,如先前报道的那样,还可用于检测水性介质中亚硝酸盐、碘化物和硫氰酸盐的存在。淬灭程度和阴离子亲和力取决于溶液 pH 值和 PVP 的分子量,同时与 Hofmeister 系列显示密切相关。此外,分子动力学模拟支持我们的实验结果,表明最接近 PVP 表面的阴离子最大程度地淬灭其荧光。结合 PVP 的多功能性,这项基础研究为在新材料中赋予阴离子结合特性和荧光输出提供了一个起点。图形概要
更新日期:2019-06-29
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