Molecular selection and environmental evaluation of eco-friendly surfactants to efficiently reduce pesticide pollution

Surfactants are widely used in industrial and agricultural production, especially as agrochemicals. However, the improvement of pesticide utilization by surfactants as the synergist should be achieved without adverse effects on crops, non-target organisms and related ecological environment, which is a lack of attention. Herein, the influence of the nonionic surfactant Triton X (TX) series with different hydrophilic chain lengths on the "Pesticide-Crop-Ecology" system was systematically studied. The impact behavior of TX droplets on the scallion leaf surface was predicted first by molecular dynamics (MD) simulation. Then the impact behavior, adhesion properties and foliar retention of TX droplets on the scallion leaf were investigated by physical experiments. The results showed that the TX-102 structure could increase leaf retention of pyraclostrobin (PYR) by 15.66% due to its fast molecular migration rate, strong adhesion and appropriate wettability with leaves. Furthermore, the environmental effect of the selected TX-102 was fully evaluated, and it was found that TX-102 was relatively safe for both Vicia faba cells and human 293t cells, although it slightly promoted the effect of PYR on cell apoptosis. Importantly, TX-102 has a potential repair effect on the damage to dominant soil bacteria caused by PYR. This study provides a new strategy for the development of efficient and environment-friendly pesticide synergists and sustainable agricultural development.