Effects of Salty Water and Temperature on Shape Fluctuations of a Few Correlated Phospholipids(The 50th Anniversary of the Alder Transition -Recent Progress on Computational Statistical Physics-)

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We evaluate effects of salty water and temperature on shape fluctuations of a few correlated phospholipids by calculating four parameters of aperture, symmetry, isotropy, and compactness. We perform molecular dynamics simulations of few POPC lipids for 8ns in four different conditions: 300K of water, 340K of water, 300K of salty water, and 340K of salty water, respectively. From the results, adding salt and increasing temperature generally change each parameter. Because each parameter concerns shape fluctuations, the adding salt and the increasing temperature consequently contribute to shape fluctuations as well. Furthermore, we discuss roles of sodium as glue effect in connection with either the parameters or temperature, and investigate effects of the number of lipids on each parameter leading to the saturation effect of isotropy. From a geometrical consequence of isotropy-symmetry in both the salty and the pure water, we find shape fluctuation regions such as cone-like, rod-like, and sphere-like regions. Nevertheless, each parameter in the salty water shows more Gaussian distribution than in the pure water. Therefore, we then investigate the certain shape fluctuations in different conditions dealing with the distributions. Interestingly, the regions of shape fluctuations in the salty water are slightly different from those in the pure water. It apparently shows that they follow a fluctuation line. The fluctuation line likely contributes to occurring non-Gaussian distributions for the pure water.
理論物理学刊行会の論文
2009-04-24

Effects of Salty Water and Temperature on Shape Fluctuations of a Few Correlated Phospholipids(The 50th Anniversary of the Alder Transition -Recent Progress on Computational Statistical Physics-)

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