DPPC (dipalmitoylphosphatidylcholine) and DMPC (dimyristoylphosphatidylcholine) are taken as phospholipids with an equal polar heads and with the difference in the length of hydrocarbon chains. Results obtain from the structural optimization of the isolated DPPC and DMPC in the gas phase, at the Hartree-Fock level of theory by means of STO-3g,3-21G, 6-31G and 6-31G* basis sets. the most important dihedral angle of these molecules (DPPC and DMPC) is chosen and the energy of 14 important atoms were scanned within 180 degrees rotation and sites that have most changes are determined and any rotated molecule separately placed in the 19 solvents (The method is HF/6-31G* model) and then dielectric effect of surrounding were analyzed. The solvent effect on the stability of DPPC & DMPC molecules were discussed using Onsager model.
Movahedi, M., Monajjemi, M., Mollaamin, F., & Poorazizi, A. (2007). Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC. Journal of Physical & Theoretical Chemistry, 4(3), 1-7.
MLA
M. Movahedi; M. Monajjemi; F. Mollaamin; A. Poorazizi. "Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC". Journal of Physical & Theoretical Chemistry, 4, 3, 2007, 1-7.
HARVARD
Movahedi, M., Monajjemi, M., Mollaamin, F., Poorazizi, A. (2007). 'Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC', Journal of Physical & Theoretical Chemistry, 4(3), pp. 1-7.
VANCOUVER
Movahedi, M., Monajjemi, M., Mollaamin, F., Poorazizi, A. Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC. Journal of Physical & Theoretical Chemistry, 2007; 4(3): 1-7.
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