Templated xerogels as platforms for biomolecule-less biomolecule sensors |
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Authors: | Tao Zunyu Tehan Elizabeth C Bukowski Rachel M Tang Ying Shughart Ellen L Holthoff William G Cartwright Alexander N Titus Albert H Bright Frank V |
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Affiliation: | Department of Applied Chemistry, Faculty of Engineering, Osaka Institute of Technology, Omiya 5-16-1, Asahi, Osaka 535-8585, Japan |
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Abstract: | We designed and synthesized new armed 12-oxacrown-3s bearing oxygen donor arms and forming encapsulated complexes with metal ions. The ISEs based on the single armed 12-oxacrown-3s exhibited Na+ ion selectivity, while the ISE based on the double armed 12-oxacrown-3 exhibited Li+ ion selectivity. The conformational analysis was performed on the free armed 12-oxaciown-3s and the non-encapsulated and the encapsulated armed 12-oxacrown-3 complexes using a semi-empirical method. The conformational analysis indicated that all armed 12-oxacrown-3s structurally prefer the Na+ ion rather than the Li+ ion. Further, it became apparent that the single armed 12-oxacrown-3s without a guest cation have the C3v 12-oxaciown-3 ring and the double armed 12-oxacrown-3 without a guest cation has the bent 12-oxacrown-3 ring. The oxygens except carbonyl oxygens were directed toward the cation center in the structures of the complexes. It was clear that the ether and ester oxygens participate in the sidearm coordination. |
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Keywords: | Computational chemistry Conformational analysis 12-Oxacrown-3 Sidearm Armed crown ethers Ion selectivity Ion-selective electrode |
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