Analysis of model PM_2.5-induced inflammation and cytotoxicity by the combination of a virtual carbon nanoparticle library and computational modeling.

ABSTRACT: Health risks induced by PM2.5 have become one of the major concerns among living populations, especially in regions facing serious pollution such as China and India. Furthermore, the composition of PM2.5 is complex and it also varies with time and locations. To facilitate our understanding of PM2.5-induced toxicity, a predictive modeling framework was developed in the present study. The core of this study was 1) to construct a virtual carbon nanoparticle library based on the experimental data to simulate the PM2.5 structures; 2) to quantify the nanoparticle structures by novel nanodescriptors; and 3) to perform computational modeling for critical toxicity endpoints. The virtual carbon nanoparticle library was developed to represent the nanostructures of 20 carbon nanoparticles, which were

SUBMITTER: Liu G 

PROVIDER: S-EPMC7018436 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature