A generic model based on the properties of nanoparticles and cells for predicting cellular uptake

Nanoparticles (NPs) are widely used in industry and technology due to their small size and versatility, which makes them easy to enter organisms and pose threats to human and ecological health. Given the particularity and complex structure of NPs, statistical models alone cannot reliably predict uptake. Hence, we developed a generic model for predicting the cellular uptake of NPs with organic coatings, based on physicochemical interactions underlying uptake. The model utilized the concentration, experimental conditions and properties of NPs viz. size, surface coating and coverage. These parameters were converted to surface energy components and surface potentials, and combined with the components and potential for a cell membrane. For NPs uptake, we constructed energetic profiles and barriers for adsorption and permeation onto/through cell membranes. The relationships derived were compared to experimental uptake data. The model provided accurate and robust uptake estimates for neutrally charged unhalogenated NPs and six different cell types. We envision that the model provides a reference for cellular accumulation of neutral NPs and (ecological/human) risk assessment of NPs or microparticles.

Automated summary

A generic model was developed to predict the cellular uptake of nanoparticles (NPs) with organic coatings, taking into account physicochemical interactions. The model accurately estimated the uptake of neutrally charged unhalogenated NPs in six different cell types, providing a reference for ecological and human risk assessment of NPs or microparticles.