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. 2019 Jan 17;9(1):10. doi: 10.3390/life9010010

Figure 10.

Figure 10

(A) Stationary points involved in the formation of the surface mixed anhydride (SMA) group from reaction of one glycine molecule (Gly) with a S3R ring. (B) Stationary points involved in the formation of the peptide glycylglycine (GlyGly) from reaction of SMA with a second Gly. Units of the relative free energies at 298 K are in kcal mol−1. (A,B) are adapted from [183]. (C) Optimized cluster model exhibiting the weakly interacting SiOH groups (left), the reactant structure for the formation of amide in which the canonical and ion pairs are shown (centre), and the optimized transition state for the dehydration step, which is initiated by a H-transfer from the CH3NH3+. Adapted from [58].