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. 2015 Apr 21;2015:319505. doi: 10.1155/2015/319505

Table 1.

Theoretical studies about reactivity on phospholipid surfaces at DFT level of calculus.

Studied reaction Limited step Calculated activation energy (Kcal mol−1) Reference
Decomposition of hydrogen peroxide Formation of an intermediate hydrogen trioxide 8.76 [20]

Schiff base formation between PE and acetaldehyde Dehydration of carbinolamine intermediate 13.08 [19]

Amadori rearrangement from PE-D-erythrose Schiff base Formation of a 1,2-enaminol intermediate 16.78 [22]

Carboxymethyl-PE formation from reaction between glyoxal and PE Dehydration of Carbino-diol-amine intermediate 15.41 [23]

Reaction of aminoguanidine with dicarbonyl-PE product Dehydration of an aminoguanidine adduct [24]