ABSTRACT
Objective To investigate the transportation of chemico-biological particles(CBP) through the micropassage inside the human body in order to improve chemico-biological protection.Methods Dissipative particle dynamics (DPD) method was used to study CBP transportation through micropassages inside the human body.Results The Poiseuille flow could be ensured by imposing boundary conditions including pressure gradient and no-slip.The axial velocity between fluid particles and CBPs was well matched except the area close to the passage wall.However, CBPs tended to accumulate and the density of CBPs slightly increased, leading to the jam effect and producing particle accumulation.Conclusion The characteristic of CBP transportation is better understood,which can help develop some chemico-biological protection devices according to movement of CBPs and improve the performance of CBPs during chemico-biological protection.
ABSTRACT
OBJECTIVE: To simulate the distribution state of lutein molecules in modified starch by dissipative particle dynamics method. METHODS: Materials Studio 4.0 Software was used with Visualizer Module to build 3D models of lutein and modified starch. The Discover and Amorphous Cell modules were used to calculate the solubility parameter. Dissipative particle dynamics module was used to simulate lutein distribution in the microcapsules. SEM was used to investigate the structure of the microcapsules. RESULTS: Dissipative particle dynamics simulations showed the aggregation morphology of modified starch inclusion of lutein molecules and the bead movement ability. Dissipative particle dynamics numerical simulation was verified by in vitro experiments, and the results were satisfactory. The feeding ratio of modified starch and lutein was 100;40. The microcapsules production rate was 47.63%, and the microcapsulation efficiency was 85.79%. The particle size of the microcapsules was 70 μm. CONCLUSION: Dissipative particle Dynamics simulation can show the distribution of drugs in microcapsules very well and can be used to predict the feeding ratio.