Journal of Radioanalytical and Nuclear Chemistry

, Volume 322, Issue 2, pp 677–689 | Cite as

Interactions of phosphorylated cyclohexapeptides with uranyl: insights from experiments and theoretical calculations

  • Zhi-Hui Zhang
  • Qun-Yan Wu
  • Xian-Feng Huang
  • Fu-Wan Zhai
  • Li-Yong YuanEmail author
  • Zhi-Fang Chai
  • Peter C. Burns
  • Wei-Qun ShiEmail author


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.


Phosphorylated cyclohexapeptides Uranyl complexes Fluorescence titration Density functional theory Extended X-ray absorption fine structure 



This work was supported by the National Natural Science Foundation of China (Grant Nos. 11775037 and 21477130). Z.H.Z. acknowledges the China Postdoctoral Science Foundation (Grant No. 2016M601136) and a project funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions. We also acknowledge the crew of the 1W1B beamline of Beijing Synchrotron Radiation Facility for their constructive assistance in the course of EXAFS measurements and data analyses.

Supplementary material

10967_2019_6697_MOESM1_ESM.docx (1.6 mb)
Supplementary material 1 (DOCX 1664 kb)


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Copyright information

© Akadémiai Kiadó, Budapest, Hungary 2019

Authors and Affiliations

  1. 1.Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology, Advanced Catalysis and Green Manufacturing Collaborative Innovation CenterChangzhou UniversityChangzhouChina
  2. 2.Laboratory of Nuclear Energy Chemistry, Institute of High Energy PhysicsChinese Academy of SciencesBeijingChina
  3. 3.Department of Civil and Environmental Engineering and Earth Sciences, Department of Chemistry and BiochemistryUniversity of Notre DameNotre DameUSA

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