The present study aimed to comprehensively evaluate the toxicological effects of microplastics (MPs) on culti-vated soil quality. Based on improved G1 evaluation method, we first constructed a grading evaluation system comprising of the indicators of toxicological effects of cultivated soil quality under MPs exposure, while focusing on types of MPs that had significant/non-significant toxicity effects. Furthermore, we verified reliability of screening results of significance-links at each level, using several data processing methods. Then, using natural breakpoint classification method, a priority control checklist of toxicological effects of 18 types of MPs on cultivated soil was developed to determine the types of MPs having significant toxicity risks and cultivated soil quality links significantly affected by the toxicity of MPs exposure. Finally, quantum-mechanics/molecular-mechanics (QM/MM) methods were used to carry out the differential toxicity mechanism analysis. The results showed that MPs with higher non-polar surface area may lead to stronger toxicity effect to the cultivated soil quality. Notably, the MPs that have abundant binding sites enhance the binding affinity, and less polar MPs bind more strongly to the non-polar amino acids of target receptors. Our study provides a new theoretical perspective for multi-dimensional analysis toxicological effects of different MPs exposure on cultivated soil quality.
