Beyeh Ngong Kodiah, Díez Isabel, Taimoory S Maryamdokht, Meister Daniel, Feig Andrew I, Trant John F, Ras Robin H A, Rissanen Kari
Aalto University , School of Science , Department of Applied Physics , Puumiehenkuja 2 , FI-02150 , Espoo , Finland . Email:
University of Windsor , Department of Chemistry and Biochemistry , Windsor , ON N9B 3P4 , Canada . Email:
Chem Sci. 2017 Dec 19;9(5):1358-1367. doi: 10.1039/c7sc05167k. eCollection 2018 Feb 7.
Pyrophosphate (PPi) is a byproduct of DNA and RNA synthesis, and abnormal levels are indicative of disease. We report the high-affinity binding of PPi in water by -alkyl ammonium resorcinarene chloride receptors. Experimental analysis using H and P NMR, isothermal titration calorimetry, mass spectrometry, and UV-vis spectroscopy all support exceptional selectivity of these systems for PPi in water. The measured affinity of = 1.60 × 10 M for PPi is three orders of magnitude larger than that observed for binding to another phosphate, ATP. This exceptional anion-binding affinity in water is explored through a detailed density functional theory computational study. These systems provide a promising avenue for the development of future innovative medical diagnostic tools.
焦磷酸(PPi)是DNA和RNA合成的副产物,其异常水平表明存在疾病。我们报道了氯化-烷基铵间苯二酚杯芳烃受体在水中对PPi的高亲和力结合。使用氢核磁共振(H NMR)、磷核磁共振(P NMR)、等温滴定量热法、质谱和紫外可见光谱进行的实验分析均支持这些体系在水中对PPi具有卓越的选择性。测得的该体系对PPi的亲和力K = 1.60×10⁹ M,比与另一种磷酸盐ATP结合时观察到的亲和力大三个数量级。通过详细的密度泛函理论计算研究探索了这种在水中异常的阴离子结合亲和力。这些体系为未来创新医学诊断工具的开发提供了一条有前景的途径。