Session: 09-03: Computational Methods in Micro/ Nanoscale Transport

Paper Number: 132540

132540 - Computational Prediction of Temperature Influence on Adhesion of Nanocarriers in Microvessels 

Abstract: 

The characteristics of targeted transport of drug-loaded nanoparticles (NPs) in microvessels can be improved by applying external excitation fields such as focused ultrasound, infrared radiation, and alternating magnetic field, which often work by increasing the temperature of tissues. Some attempts have been made to investigate the impact of thermal effects of external excitation field in vitro and in vivo experimental methods. The temperature rise could change the physichemical properties of biofilm and interstitial fluid, and then enhance the target cell uptake and intracellular release of drug loaded particles. However, the findings show that the number of NPs adhered to the target vessel wall decreases at the temperatures larger or less than 37 °C although an increase in temperature can increase the probability of NP margination in blood flow. It is desired to obtain a good undstanding of the mechanisim and predict the temperature influence on NP adhesion in microvessels under the action of external fields for the potential clinical application.

This paper aims to deeply reveal the mechanism and pattern of temperature influence on the adhesion of drug-loaded NPs for accurating predict the NP adhesion characteristics in the target tissue. A novel mathematic model for modifying ligand-receptor binding force and the number of binding sites at different temperatures was developed by combining computational simulation methods and experimental measurement at meso- and micro-scales. Numerical simulation was performed based on the immersed boundary-lattice Boltzmann method and molecular dynamics method with comprehensive consideration of the interactions among blood flow, NPs, red blood cells, and endothelial cells. The adhesion of thermogenic NPs on the vessel wall was predicted by considering the effect of temperature on physichemical properties of blood flow and interaction between the ligands coated on the surface of NPs and receptors of endothelial cells. The results show that the variation in ligand-receptor interaction caused by the decrease of cell activity and the contraction of cytoskeleton structure has significant impact on NP adhesion in target region of treated tissues. Wether the temperature was higher or lower than 37 °C, the number of the adhered NPs decreases due to the decreases in ligand-receptor binding force, binding area and the number of binding sites. Good agreement was found between the simulation results and the experimental findings, demonstrating the feasibility and reliability of the proposed model that can be employed to predict NP transport and adhesion behaviors and provide guidance for the optimization of NP design and treatment strategy planning for clinical application.

Presenting Author: Kai Yue University of Science and Technology Beijing

Presenting Author Biography: Kai Yue Ph.D, work as a professor in University of Science and Technology Beijing, Beijing (USTB), China. Her research interests include biological heat and mass transfer, biofluid flow, thermal therapy technique, targeted drug delivery technique, intelligent control, and instrument development.

Authors:

Kai Yue University of Science and Technology Beijing
Xiaolin Liu University of Science and Technology Beijing
Yuming Qing University of Science and Technology Beijing
Anqi Wang University of Science and Technology Beijing
Weishen Zhong University of Science and Technology Beijing