The molecular arrangement of lipids and proteins within biomembranes and monolayers gives rise to complex film morphologies as well as regions of distinct electrical surface potential, topographical and electrostatic nanoscale domains. To probe these nanodomains in soft matter is a challenging task both experimentally and theoretically. This work addresses the effects of cholesterol, lipid comp...

The alkali halides have been studied very frequently for their simple structures and interesting properties, for example, the high-pressure induced transition1. There are several successful models that can be employed. The most famous model of them is the Tosi-Fumi interionic potential2 which is an empirical potential derived from the experimental data. Whereas, here we developed a new potentia...

textile wastewaters due to the toxic effects of dyestuffs and other organic compounds and their stability toward light and oxidizing agents have led to an environmental problem. several treatment methods for dye removal have been investigated. membrane process is one of the simplest and most effective methods for dye removal from industrial wastewaters. electrospun nanofibrous membranes have hi...

conclusions the bacterial isolates exhibited strong biofilm formation potential, while the extracts of acacia arabica significantly inhibited biofilm formation among the isolates and, therefore, could be executed in the development of cost-effective biofilm inhibitor medicines. results pseudomonas aeruginosa (kc417303-05), staphylococcus hemolyticus (kc417306), and staphylococcus hominis (kc417...

Configuration-constrained potential-energy-surface calculations are performed including β6 deformation to investigate high-K isomeric states in nuclei around 254No and 270Ds, the heaviest nuclei where there have been some observations of two-quasiparticle isomers, while data for four-quasiparticle isomers are scarce. We predict the prevalent occurrence of four-quasiparticle isomeric states in t...

The N-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. The quantum theoretical calculations for two crystal structures of N-(2-benzoyl-phenyl) oxalyl (compounds I and II) were performed by Density Functional Theory (B3LYP method and 6-311+G* basis set). From the optimized structures, geometric paramet...

we have studied the phase transitions in atomic clusters by molecular dynamics simulation, assuming lennard-jones interatomic pair potential. calculations are performed by dap parallel computer. the results are analyzed by simulating their orientational distribution plots (dot-plot), and neutron diffraction patterns. it is shown that all the main features of the bulk phase transitions are essen...