Jiarui Li, Chenghe Ding, Yang Gao, Lili Wen, Pingping Zhao, Zhou Lu, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li and Zhiming Wang
{"title":"Synergistic coordination in 89Zr–DFO (deferoxamine) complexes: computational and experimental insights into auxiliary ligands†","authors":"Jiarui Li, Chenghe Ding, Yang Gao, Lili Wen, Pingping Zhao, Zhou Lu, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li and Zhiming Wang","doi":"10.1039/D5QI00879D","DOIUrl":null,"url":null,"abstract":"<p >This study combines computational and experimental methods to investigate how auxiliary ligands enhance thermodynamic stability in hexacoordinate <small><sup>89</sup></small>Zr–DFO (deferoxamine) complexes. Strong electrostatic interactions favour HPO<small><sub>4</sub></small><small><sup>2−</sup></small> over H<small><sub>2</sub></small>O, Cl<small><sup>−</sup></small>, CO<small><sub>3</sub></small><small><sup>2−</sup></small> and C<small><sub>2</sub></small>O<small><sub>4</sub></small><small><sup>2−</sup></small>, indicating superior stability for advanced medical diagnostics and treatment applications.</p>","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":" 13","pages":" 4178-4185"},"PeriodicalIF":6.4000,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/qi/d5qi00879d?page=search","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry Frontiers","FirstCategoryId":"92","ListUrlMain":"https://pubs.rsc.org/en/content/articlelanding/2025/qi/d5qi00879d","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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 HPO42− over H2O, Cl−, CO32− and C2O42−, indicating superior stability for advanced medical diagnostics and treatment applications.
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