Coarse-grained molecular dynamics simulation of cation distribution profiles on negatively charged lipid membranes during phase separation.

Revealing the ion distributions on a charged lipid membrane in aqueous solution under the influence of long-range interactions is essential for understanding the origin of the stability of the bilayer structure and the interaction between biomembranes and various electrolytes. However, the ion distributions and their dynamics associated with the phase separation process of the lipid bilayer membrane are still unclear. We perform coarse-grained molecular dynamics simulations to reveal the Na and Cl distributions on charged phospholipid bilayer membranes during phase separation.

Influence of Charge Lipid Head Group Structures on Electric Double Layer Properties.

In this study we derived a model for a multicomponent lipid monolayer in contact with an aqueous solution by means of a generalized classical density functional theory and Monte Carlo simulations. Some of the important biological lipid systems were studied as monolayers composed of head groups with different shapes and charge distributions. Starting from the free energy of the system, which includes the electrostatic interactions, additional internal degrees of freedom are included as positional and orientational entropic contributions to the free energy functional.

Reappearance of slow mode in mixtures of polyethylene glycol and poly(sodium methacrylate).

Mixtures of an anionic polyelectrolyte, poly(sodium methacrylate), NaPMA, and a neutral polymer, polyethylene glycol, PEG, were investigated by dynamic and static light scattering techniques at different concentrations and chain-lengths of PEG. The NaPMA standard with a narrow molecular weight distribution was chosen for the study. The so called slow-mode behaviour, characteristic of salt-free NaPMA solutions, vanishes as the simple salt, NaCl in this case, is added in a sufficient amount.

Shielded attractive shell model again: resummed thermodynamic perturbation theory for central force potential.

The approach developed earlier to describe the dimerizing shielded attractive shell (SAS) primitive model of chemical association due to Cummings and Stell is generalized and extended to include a description of a polymerizing SAS model. Our extension is based on the combination of the resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potential and self consistent scheme, which takes into account the changes in the system free volume due to association. Theoretical results for thermodynamical properties of the model at different bonding length, density and temperature are compared against newly generated computer simulation results.

The impact of canopy managements on grape and wine composition of cv. 'Istrian Malvasia' (Vitis vinifera L.).

Background: The interest in producing wines preferred by consumers increases the need for improving practices to modify grape and wine composition. The aim of this study was to assess the impacts of three different canopy management measures, (1) early leaf removal in the cluster zone, (2) removal of young leaves above the second pair of wires and (3) Double Maturation Raisonnée, on the yield and chemical composition of 'Istrian Malvasia' grape and wine.

Results: Double Maturation Raisonnée had a significantly greater impact on phenolic compounds, while the highest soluble solids (24.