dc.contributor.author |
Frontera Beccaria, Antonio
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dc.contributor.author |
Morey Salvà, Jeroni
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dc.contributor.author |
Oliver, A.
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dc.contributor.author |
Piña Capó, María de la Nieves
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dc.contributor.author |
Quinonero Santiago, David
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dc.contributor.author |
Costa Torres, Antonio
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dc.contributor.author |
Ballester Balaguer, Pablo José
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dc.contributor.author |
Deyà Serra, Pere Maria
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dc.contributor.author |
Anslyn, Eric V.
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dc.date.accessioned |
2018-09-21T11:41:52Z |
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dc.identifier.uri |
http://hdl.handle.net/11201/147586 |
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dc.description.abstract |
[eng] A rational design of a tripodal receptor for the molecular recognition of tricarboxylate salts in aqueous media, based on squaramide, has been performed using high-level DFT calculations (RI-BP86/SVP level of theory) in solution using the COSMO treatment, including some preliminary ab initio calculations at the higher RI-MP2/TZVP level of theory, comparing the ability of squaramide to bind carboxylate salts with two widely used guanidinium salts. The tripodal receptor has been synthesized using a new methodology that has been recently reported by some of us, and its capability of recognizing several mono-, di-, and tricarboxylate salts has been studied experimentally by means of microcalorimetry experiments in a very high competitive media, H2O:EtOH 1:3. These experiments give enthalpic and entropic data, which are unfortunately scarce in the literature of molecular recognition of anions. Finally, a fluorimetric ensemble of the receptor with fluorescein has been found to be useful for the fluorimetric determination of zinc citrate in a commercial toothpaste using competition assays. |
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dc.format |
application/pdf |
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dc.relation.isformatof |
Versió postprint del document publicat a: https://doi.org/10.1021/jo0609327 |
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dc.relation.ispartof |
Journal of Organic Chemistry, 2006, vol. 71, num. 19, p. 7185-7195 |
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dc.rights |
(c) American Chemical Society , 2006 |
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dc.subject.classification |
54 - Química |
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dc.subject.other |
54 - Chemistry. Crystallography. Mineralogy |
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dc.title |
Rational Design, Synthesis and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media |
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dc.type |
info:eu-repo/semantics/article |
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dc.type |
info:eu-repo/semantics/acceptedVersion |
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dc.date.updated |
2018-09-21T11:41:52Z |
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dc.date.embargoEndDate |
info:eu-repo/date/embargoEnd/2075-01-01 |
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dc.embargo |
2075-01-01 |
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dc.rights.accessRights |
info:eu-repo/semantics/embargoedAccess |
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dc.identifier.doi |
https://doi.org/10.1021/jo0609327 |
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