Computational Simulation of Electromagnetic effect on Magnetic alginate Nanosphere: Molecular dynamics approach

Alginate-based nanoparticles are a promising platform for several applications due to their biocompatibility, biodegradability and ability to encapsulate a variety of drugs. To simulate of Magnetic alginate-based nano nanoparticles which we named alginosome, Various analysis was used to interpret the results of these simulation. The MD system was performed in the NPT ensemble for a certain period of time to obtain the trajectory data for analysis including total and potential energy parameters, RDF and RMSD based on DERIDING forcefield. To calculate atomic behavior, Nano stability and disassembly process, an external electromagnetic field was applied using LAMMPS software package. The simulation results demonstrated total energy of magnetic alginosome was disassembled and converged after 200000 fs and zeta potential of Nano system reach to -1mV in response to an external electromagnetic field. Additionally, the size and shape of magnetic nanoparticles can have a significant impact on the RDF of a magnetic alginate-based nanosphere in molecular dynamics simulations. Overall, it plays a crucial role in understanding the behavior of magnetic nanoparticles and can guide the design process to optimize their performance for various biomedical applications. It can provide valuable insights into the behavior of Magnetic Nano particles under different conditions and help optimize Nano system strategies.