چكيده به لاتين
Precise study of biological cells is necessary to investigate interactions between biological cells, drug effects on cells and inserting desirable changes on DNA. In this way, exploring mechanical properties of these particles and their mechanical behavior like adhesion force, deformation and investigating damage possibility in different situations is needed; manipulation of nanobioparticles in nano scale is an important process during the investigation of nanobioparticles; because the amount of exerted force, deformation and investigating the damage possibility can provide useful information. Experimental tests are time and cost consuming due to the scale of these researches. So, computer simulations can be good substitutions that cause a considerable decrease in time and cost. Repeatability is another advantage of computer simulation.
In this thesis, molecular dynamics simulation of manipulation process for biological cells based on AFM has been done. Biological cells consist of virus, protein and ssDNA. The main goal of these simulations is investigating the material substrate effect on the manipulation force and damage possibility. For this purpose, three types of substrates have been employed. They are made up of silicon, graphene sheet and gold. Widespread using and low level interactions with other materials are the reasons of choosing these substrates. Beside, environmental effects on manipulation force have been studied. These effects include electrostatic charge and water media effect. 3D simulation of manipulation has been used. Pushing mode has been employed to move the nanobioparticles. Studing the inter actions between protein and lipid, investigating drug effects on viruses and DNA sequencing are the applications of nanobiomanipulation.
Results show that on gold substrate, the maximum manipulation force occurs and damage possibility is high. Also on graphene substrate manipulation force and deformation of particle are more than the silicon substrate. Changing the simulation media into water causes a decrease in manipulation force. On the other hand during manipulation process of virus on the graphene sheet, exerting positive charge to substrate or tip, increases the manipulation force; while exerting negative charge, decreases the manipulation force.
