Creatinine recognition using designed synthetic receptors

Abstract

A series of neutral nonenzymatic receptors have been synthesized for the recognition of creatinine in a nondegrative way. The receptors contain different heterocyclic moieties for better interactions between host and guest. Among these, 1, 4, and 5 are fluorescent receptors for creatinine. From this study, it was found that the receptors 1 and 4 containing the naphthyridine moiety have higher binding affinity to the guest creatinine than receptors containing other heterocyclic moiety. Theoretical studies for the calculation of binding energy were carried out using discrete Fourier transform (DFT) for the hosts and their complexation with creatinine in both gas phase and acetonitrile medium.

Quantification of the PO⋯HN hydrogen bond in the binding of creatinine with phosphonate calix[4]pyrroles

“…In the X-ray structure of the 2b⊂3oo complex, the hexyl creatinine was modelled as the amine tautomer based on the results of theoretical calculations. In short, contrary to a previous statement, 18 our DFT calculations in the gas phase (see the next section) assigned an energetic advantage of 1.9 kcal mol −1 to the imine tautomer over the amine counterpart. 19 Conversely, the computed 2b⊂3oo inclusion complex with the amine tautomer of 2b was energetically favored (∼5 kcal mol −1 ) with respect to that of the imine analogue.…”

Recognition of monocarboxylic acids by imidazole‐containing receptors

“…[26][27][28][29] UV-Vis and fluorescence titration are carried out following the reported procedure. [34] Association constants (K a ) have been calculated by feeding the data from UV-Vis and fluorescence titrations to the online Bindfit tool. [30][31][32] 1 H NMR titration is carried out following a reported procedure.…”