Jiarui Li, Chenghe Ding, Yang Gao, Lili Wen, Pingping Zhao, Lu Zhou, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li, Zhiming Wang
{"title":"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","authors":"Jiarui Li, Chenghe Ding, Yang Gao, Lili Wen, Pingping Zhao, Lu Zhou, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li, Zhiming Wang","doi":"10.1039/d5qi00879d","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":79,"journal":{"name":"Inorganic Chemistry Frontiers","volume":"26 1","pages":""},"PeriodicalIF":6.1000,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"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, Lu Zhou, Rui Luo, Mingsong Shi, Georg Schreckenbach, Xiaoan Li, Zhiming Wang\",\"doi\":\"10.1039/d5qi00879d\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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.\",\"PeriodicalId\":79,\"journal\":{\"name\":\"Inorganic Chemistry Frontiers\",\"volume\":\"26 1\",\"pages\":\"\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2025-04-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry Frontiers\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1039/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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry Frontiers","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/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}
Synergistic Coordination in 89Zr-DFO (Deferoxamine) Complexes: Computational and Experimental Insights into Auxiliary Ligands
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.