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Interactions of phosphorylated cyclohexapeptides with uranyl: insights from experiments and theoretical calculations |
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| Authors: | Zhang Zhi-Hui Wu Qun-Yan Huang Xian-Feng Zhai Fu-Wan Yuan Li-Yong Chai Zhi-Fang Burns Peter C Shi Wei-Qun |
| Institution: | 1.Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, Advanced Catalysis and Green Manufacturing Collaborative Innovation Center, Changzhou University, Changzhou, 213164, China ;2.Laboratory of Nuclear Energy Chemistry, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049, China ;3.Department of Civil and Environmental Engineering and Earth Sciences, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN, 46556, USA ; |
| Abstract: | Two phosphorylated cyclohexapeptides (CPs) bearing one (CP1) or two phosphates (CP2) were synthesized to explore the interactions between uranyl ions and very small cyclic peptides. According to the results of the ESI–MS and fluorescence titrations, the 1:1 uranyl-CPs complexes are the main products with the affinity constants of 7.3?×?104 and 2.0?×?105 for CP1 and CP2, respectively. Density functional theory calculations indicate phosphoryl and carboxyl groups coordinate uranyl in mono-dentate and bi-dentate fashions due to steric effects, which is consistent with the results of extended X-ray absorption fine structure spectroscopy. |
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