![]() The thickness of the simulated phospholipid monolayer is consistent with published experimental result. Based on following assumptions: (1) the conformation energy change is mainly caused by the rotation of one special bond (2) the atoms of glycerol near the water surface are active (3) the rotation is motivated by hydrogen-bond action (4) the rotation of bond is inertial, one simplified track of conformational change is suggested and the conformations of DPPC and DPPG at different states are determined by the plots of conformation energy change vs. The optimized conformations of phospholipids at absolute freedom state are simulated by Gaussian 98 software. ![]() On the basis of energy conservation law and surface pressure isotherm, the conformation energy changes of dipalmitoylphosphatidylcholine (DPPC) and dipalmitoylphosphatidylglycerol (DPPG) in pure phospholipid monolayer at the air/water interface during compression are derived.
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