Synergistic Coordination in 89Zr-DFO (Deferoxamine) Complexes: Computational and Experimental Insights into Auxiliary Ligands

IF 6.1 1区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Frontiers Pub Date : 2025-04-14 DOI:10.1039/d5qi00879d

Jiarui Li, Chenghe Ding, Yang Gao, Lili Wen, Pingping Zhao, Lu Zhou, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li, Zhiming Wang

引用次数: 0

Abstract

This study combines computational and experimental methods to investigate how auxiliary ligands enhance thermodynamic stability in hexacoordinate ⁸⁹Zr-DFO (Deferoxamine) complexes. Strong electrostatic interactions favour HPO₄^2- over H₂O, Cl^-, CO₃^2- and C₂O₄^2-, indicating superior stability for advanced medical diagnostics and treatment applications.

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89Zr-DFO（脱氧胺）配合物中的协同配位：计算和实验对辅助配体的启示

本研究采用计算和实验相结合的方法研究了辅助配体如何增强六配位89Zr-DFO（去铁胺）配合物的热力学稳定性。与H2O、Cl-、CO32-和C2O42-相比，强静电相互作用更有利于HPO42-，这表明HPO42-在先进的医疗诊断和治疗应用中具有优越的稳定性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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