Charge transfer complexes, biological stability

The several theoretical and/or simulation methods developed for modelling the solvation phenomena can be applied to the treatment of solvent effects on chemical reactivity. A variety of systems - ranging from small molecules to very large ones, such as biomolecules [236-238], biological membranes [239] and polymers [240] -and problems - mechanism of organic reactions [25, 79, 223, 241-247], chemical reactions in supercritical fluids [216, 248-250], ultrafast spectroscopy [251-255], electrochemical processes [256, 257], proton transfer [74, 75, 231], electron transfer [76, 77, 104, 258-261], charge transfer reactions and complexes [262-264], molecular and ionic spectra and excited states [24, 265-268], solvent-induced polarizability [221, 269], reaction dynamics [28, 78, 270-276], isomerization [110, 277-279], tautomeric equilibrium [280-282], conformational changes [283], dissociation reactions [199, 200, 227], stability [284] - have been treated by these techniques. Some of these... 

Using molecular orbital theory, a significant correlation was found between the LIM) and the biological activity In a series of oxamates, qulnaldlc, and benzopyran-2-carboxyllc aclds.35 This was rationalized In terms of charge transfer stabilization of the drug-receptor complex. 

Activation of stable molecules, stabilization of unstable species, and the transfer of charge comprising electrons, protons, and other ions are elementary steps of biological and industrial processes catalyzed by redox-active metal complexes. Detailed understanding of the elementary steps is a requirement for a mechanistic understanding of the overall processes as well as for the development of either competitive or more efficient catalysts. 

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