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

Scheme 2.

Scheme 2

Transition state of reaction between PE (blue color) and acetaldehyde (red colour), showing the boundary translation invariance property of PE-surface periodic model. Arrows and green shadows indicate the direction and the protons involved in the transfer, dotted lines represent hydrogen bonds, and R corresponds to PE molecules which contain the amine groups.