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- W2364277745 abstract "The supramolecular interaction between palmatine hydrochloride(PAL)and cucurbit[7]uril(CB[7])was studied by fluorescence spectrometry and 1H NMR.CB[7]reacts with PAL to form a stable 1∶1host-guest complex,and produces a strong fluorescence emission.The association constant(K =1.18×105L.mol-1)was calculated by applying a deduced equation.From the temperature dependence of the equilibrium constants,thermodynamics parameters H and Svalues were obtained,indicating an enthalpic driving force for complexation.Molecular modeling calculations were optimized at the B3LYP/ 6-31G(d)level of density functional theory using the Gaussian 03program.In the energy-minimized structure,the methoxy-isoquinoline moiety is embedded in CB[7],and the heterocyclic nitrogen is located in the vicinity of a carbonyl-laced portal.Two hydrogen bonds are formed between the heterocyclic nitrogen and carbonyl oxygen of CB[7].The dihedral angle between the isoquinoline and the substituted benzene ring varies from 23.37°to-8.09°.The main factors of strong fluorescence emission from PALCB[7]complex have been identified.In addition,the mechanism of host-guest interaction has been derived by 1H NMR and molecular modeling calculation,and the formation steps of inclusion complexes has also been identified." @default.
- W2364277745 created "2016-06-24" @default.
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- W2364277745 date "2013-01-01" @default.
- W2364277745 modified "2023-09-24" @default.
- W2364277745 title "Study on the Interaction Between Palmatine Hydrochloride and Cucurbit[7]uril and the Mechanism of Fluorescence Enhancement" @default.
- W2364277745 hasPublicationYear "2013" @default.
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