Computational Design of Metal Ion Sequestering Agents

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Organic ligands that exhibit a high degree of metal ion recognition are essential precursors for developing separation processes and sensors for metal ions. Since the beginning of the nuclear era, much research has focused on discovering ligands that target specific radionuclides. Members of the Group 1A and 2A cations (e.g., Cs, Sr, Ra) and the f-block metals (actinides and lanthanides) are of primary concern to DOE. Although there has been some success in identifying ligand architectures that exhibit a degree of metal ion recognition, the ability to control binding affinity and selectivity remains a significant challenge. The traditional approach for ... continued below

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Hay, Benjamin P. & Rapko, Brian M. June 15, 2005.

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Description

Organic ligands that exhibit a high degree of metal ion recognition are essential precursors for developing separation processes and sensors for metal ions. Since the beginning of the nuclear era, much research has focused on discovering ligands that target specific radionuclides. Members of the Group 1A and 2A cations (e.g., Cs, Sr, Ra) and the f-block metals (actinides and lanthanides) are of primary concern to DOE. Although there has been some success in identifying ligand architectures that exhibit a degree of metal ion recognition, the ability to control binding affinity and selectivity remains a significant challenge. The traditional approach for discovering such ligands has involved lengthy programs of organic synthesis and testing that, in the absence of reliable methods for screening compounds before synthesis, have resulted in much wasted research effort.

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  • Report No.: EMSP-73759-2005
  • Grant Number: None
  • DOI: 10.2172/893278 | External Link
  • Office of Scientific & Technical Information Report Number: 893278
  • Archival Resource Key: ark:/67531/metadc876482

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  • June 15, 2005

Added to The UNT Digital Library

  • Sept. 21, 2016, 2:29 a.m.

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  • Nov. 4, 2016, 4:29 p.m.

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Hay, Benjamin P. & Rapko, Brian M. Computational Design of Metal Ion Sequestering Agents, report, June 15, 2005; Richland, Washington. (digital.library.unt.edu/ark:/67531/metadc876482/: accessed August 16, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.