Flow and transport processes in soil and rock play a critical role in agricultural non-point source pollution (ANSP) loads. In this study, we investigated the ANPS load discharged into rivers from an irrigation district in the Tibetan Plateau, and simulated ANPS load using a distributed model involving detailed descriptions of flow and ANPS transport and transformation processes in the soil and rock. Experiments were conducted for two years to measure soil water content and nitrogen concentrations and the quality and quantity of lateral flow in the rock and at the drainage canal outlet during the highland barley growing period. A distributed model, in which the subsurface lateral flow was described using a step-wise method, was developed to simulate flow and ammonium nitrogen and nitrate nitrogen transport. Sobol’s method was used to evaluate the sensitivity of simulated flow and transport processes to model inputs. The results showed that, with a 21.2% increase of rainfall and irrigation in the highland barley growing period, the average NH4+-N and NO3--N concentrations in the soil layer decreased by 10.8% and 14.3%, respectively, due to increased deep seepage. Deep seepage of rainfall water accounted for 0–52.4% of total rainfall, whereas deep seepage of irrigation water accounted for 36.6–45.3% of total irrigation. NH4+-N and NO3--N discharged into the drainage channel represented 19.9–30.4% and 19.4–26.7% of the deep seepage, respectively. The mean Nash-Sutcliffe coefficients, root mean square errors, and cumulative deviations between the measured and simulated flow rates and NH4+-N and NO3--N concentrations at the surface drainage canal outlet were 0.694, 0.081, and 0.242, respectively, indicating that the proposed method can effectively describe the hydrological and ANPS pollution migration in the plateau irrigation zone. The Sobol’ sensitivity analysis results demonstrated that subsurface lateral flow had the most important first order and total effect on the simulated flow and NH4+-N and NO3--N concentrations at the surface drainage outlet.

The combination of wet-lab experimental data on multi-site combinatorial mutations and machine learning is an innovative method in protein engineering. In this study, we present an improved innovative sequence–activity relationship (innov'SAR) methodology based on novel descriptors and digital signal processing (DSP) to construct a predictive model. In this improved approach, 21 experimental (R)-selective amine transaminases from Aspergillus terreus (AT-ATA) were used as an input to predict higher thermostability than that predicted using the existing data. We successfully improved the determination coefficient (R2) of the model from 0.66 to 0.92. In addition, root mean square deviation (RMSD) and root mean square fluctuation (RMSF) were estimated and conformation analysis based on molecular dynamics simulations was performed to verify the enhanced thermal stability of the screened mutants. The improved innov'SAR algorithm enhanced the predictive accuracy, suggesting a method for modifying the stability of AT-ATA, which may help in directed evolutionary screening and open up new avenues for protein engineering.

The plastic deformation behavior of 3Y-TZP with weak electric current in oxygen-lean atmosphere was investigated. An electrochemical reduction reaction, induced by the electric current, can significantly promote the plastic deformation of 3Y-TZP at furnace temperature of 1200 °C and a strain rate of 6.67 × 10−4 s−1. Especially, a remarkable variation of the electrical property and grain growth were observed in 3Y-TZP during the deformation. The stress exponent ranging within 2~3 indicated that the deformation was dominated by grain boundary sliding. The applied electric current decreased the apparent activation energy Q of the deformation from 465 kJ mol-1 to 315 kJ mol-1, resulting in a transition of the diffusion mechanism from the lattice diffusion to the grain boundary diffusion. These phenomena were mainly attributed to the enhancement of the cation diffusion caused by the electrochemical reduction reaction, which induced by the electric current in oxygen-lean atmosphere.