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In MEP analysis, electrophilicity and nucleophilicity is explained on the basis of different color codes, red color indicates nucleophilic and blue color reflects electrophilic site [43].
3]) the electrophilicity power further increases, thus indicating an increase of reactivity towards a nucleophile (1e and 1f).
These results are in agreement with those obtained by analysing the global electrophilicity index (Table 1).
Clearly, relative softness ([sigma]) and electrophilicity ([omega]) determine not only the toxicodynamic character of ACR and other type-2 alkenes (i.
A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity.
The electrophilicity of the product complexes is demonstrated by the fact that they abstract Ph - from the [BPh.
It is suggested that the NH moiety in complexes may involve in intramolecular H-bonding with neighboring carbonyl group, while CH2 moiety may decrease the electrophilicity of carbonyl carbon for amino group of protein, both resulting in less favorable interaction of carbonyl group with protein and hence reduced antiglycation ability of 13c and 14c compared to 6c.
Sahu, Theoretical Evaluation of Global and Local Electrophilicity Patterns to Characterize Hetero-Diels-Alder Cycloaddition of Three Membered 2H-Azirine Ring System, J.
hydrolytic and redox activity, Lewis acidity, electrophilicity, valency, geometry, magnetic, spectroscopic, radiochemical properties) to measure and/or alter cellular functions.