Computational approach to nuclear magnetic resonance in 1-alkyl-3-methylimidazolium ionic liquids

Article Abstract:

A computational approach is presented based on quantum-chemical methods to predict reliable [super 1]H and [super 13]C NMR parameters of a series of 1-alkyl-3-methylimidazolium ionic liquids. A computational evidence of the existence of a chemical equilibrium is found between freely separated ions and ion-pair species of ionic liquids in different molecular environments.

Imidazole, Ionic solutions, Quantum chemistry

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Investigating 2,2'-bipyridine-3,3'-diol as a microenvironment-sensitive probe: its binding to cyclodextrins and human serum albumin

Article Abstract:

The 2,2'-bipyridine-3,3'-diol molecule (BP[(OH).sub.2]) inside cyclodextrins (CDs) and human serum albumin (HAS) is examined as a potential photophysical probe in inclusion and biological studies. The results have shown that BP[(OH).sub.2] can be used in binding sites and biological systems as a microenvironment-sensitive probe.

Pyridine, Binding sites (Biochemistry), Active sites (Biochemistry), Cyclodextrins

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