A long 5000 ns run was conducted on sodium dioctyl sulfosuccinate (AOT)/water lamellar system to understand the unusual behavior. During the simulation run, we track up to 24 AOT molecules translocated from upper leaflet (UL) to lower leaflet (LL) and vice-verse. AOT molecule takes ~2–17 ns in average to move from one leaflet to other. The potential energy barrier of AOT interlayer translocation calculated as sum of Lennard-Jones and electrostatic energies is estimated to be around ~100–120 kJ/mol and the free energy barrier about 90 kJ/mol. A long-scale simulation is accompanied with undulations and large curvation of bilayer. We argue that the transbilayer flip-flop process is a pore-mediated, i.e. the events are accompanied with water pores (defects) formation. On the other side, the size of “water tunnels” is also important, although the successful transbilayer flip-flop events are not depends on the size and lifetime of the water pores.
2022թ. հունիսի 3-ին
ՀՀ ԳԱԱ Ինֆորմատիկայի և ավտոմատացման պրոբլեմների ինստիտուտում տեղի ունեցավ հանդիպում ՀՀ ԳԱԱ ԻԱՊԻ և ՀՀ հիդրոմետ ծառայության միջև համագործակցության ընլայնման նպատակով։
On June 1, 2022
the members of the Institute of Informatics and Automation Problems of the National Academy of Sciences of the Republic of Armenia hosted Prof. Katona Gyula, ALFRÉD RÉNYI Institute of Mathematics of the Hungarian Academy of Sciences, a vivid representative of the Hungarian school of combinatorics, one of the worldwide recognized centers in the field of Combinatorial Optimisation in the framework of thematic research project “Innovating Monotone and Linear Combinatorial Optimization towards Applications”, 21T-1B314, SC MESCS RA, IIAP NAS RA.
Combinatorial optimization and numerical computation are the core content and power of computer systems. There is often a mismatch between the system requirements and current advances in mathematics and computational methods. “Innovating Monotone and Linear Combinatorial Optimization towards Applications” project is dedicated to resolving such inconsistencies by creating a centre of knowledge and expertise for the interplay of mathematics, computer science, and applications.
On June 1, 2022
Prof. Katona was also hosted at the National Academy of Sciences of the Republic of Armenia, at the premises of the Division of Mathematical and Technical Sciences.