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. Author manuscript; available in PMC: 2013 Jun 28.
Published in final edited form as: J Phys Chem B. 2010 Jul 29;114(29):9496–9503. doi: 10.1021/jp102332g

TABLE 1.

Calculated Solvation Energies of Phospholipids and Ozonolysis Products

solvation energy (kcal/mol)
lipid neutral anionic
DPPG −32.9 −91.5a
POPG −33.6 −91.7a
aldehyde product −38.3 −96.2a
carboxylate product −41.8 −100,a −184b
a

Singly charged anion with deprotonated phosphatidylglycerol group.

b

Doubly charged anion with deprotonated phosphatidylglycerol and carboxylate groups.