Fullermunksgaard8319

Humans and animals may be exposed to tens of thousands of natural and synthetic chemicals during their lifespan. It is difficult to assess risk for all the chemicals with experimental toxicity tests. An alternative approach is to use computational toxicology methods such as quantitative structure-activity relationship (QSAR) modeling. Mitochondrial toxicity is involved in many diseases such as cancer, neurodegeneration, type 2 diabetes, cardiovascular diseases and autoimmune diseases. Thus, it is important to rapidly and efficiently identify chemicals with mitochondrial toxicity. In this study, five machine learning algorithms and twelve types of molecular fingerprints were employed to generate QSAR discriminant models for mitochondrial toxicity. A threshold moving method was adopted to resolve the imbalance issue in the training data. Consensus of the models by an averaging probability strategy improved prediction performance. The best model has correct classification rates of 81.8% and 88.3% in ten-fold cross validation and external validation, respectively. Substructures such as phenol, carboxylic acid, nitro and arylchloride were found informative through analysis of information gain and frequency of substructures. The results demonstrate that resolving imbalance in training and building consensus models can improve classification rates for mitochondrial toxicity prediction.Mounting evidence highlights the negative impacts of neonicotinoids on non-target organisms and ecosystem, yet there are a few of methods to address the residual neonicotinoids in environment. Herein, series of sulfur and oxygen co-doped carbon nitride (SOCNx) were successfully synthesized via one-step thermal polymerization and applied in photodegradation of multi-neonicotinoids (dinotefuran, acetamiprid, clothianidin, thiacloprid, imidacloprid, nitenpyram and thiamethoxam) simultaneously for the first time. Unique tubular structure was observed at the specific doping ratio, which enhanced both mass transfer and specific surface area of graphitic carbon nitride (g-C3N4). The doping process changed the morphology of g-C3N4 materials and also affected its photocatalytic performance. The degradation rate of optimized material (SOCN8) for nitenpyram could surpass 90% just in 30 min under visible light in aqueous matrix. The degradation for target insecticide increased maximum efficiency of 57.6% compared to bulk g-C3N4. Moreover, the possible mechanism of the degradation process was proposed. The results revealed that photon-induced hole (h+) was the primary active species during the degradation of seven investigated neonicotinoids. Moreover, the SOCN8 showed excellent recyclability after four consecutive cycles, which implied promising applications for pesticide-contaminated water remedy.The absorption and scattering of aerosols are critical factors that influence in global climate and visibility degradation. From January 2013 to December 2015, aerosol scattering coefficients, PM2.5, and meteorological parameters were continuously measured at a monitoring site in Shanghai, China. The annual means of scattering coefficients were 312.3, 232.1, and 261.9 Mm-1 for the years 2013, 2014, and 2015, respectively. Zasocitinib concentration The corresponding values for PM2.5 were 61.6, 51.6, and 52.9 μg/m3. Compared with the average scattering coefficient of the year 2013, those of 2014 and 2015decreased by 26% and 16%, respectively. Furthermore, the annual average PM2.5 decreased by 16% and 14% in 2014 and 2015, respectively. Although this study concluded that PM2.5 was generally correlated with scattering coefficients during the entire measurement period, the decrease in the former was much less than the latter. On this basis, ultrafine particles may decrease significantly because they cause aerosol scattering. This finding should be investigated further in the future. The inter-annual meteorological changes affected PM2.5 and scattering coefficient inter-annual variations. In the northwest and southwest direction, the seasonal and diurnal variations of aerosol scattering coefficients showed larger values when the wind speeds were about 3-5 m/s. The serious pollution in the northwest direction were mainly due to long-distance transport of pollutants during winter, whereas those in the southwest direction were attributed to local emission. The westerly wind frequency is the crucial factor influencing local pollution transport significantly. Backward trajectory analysis indicated that the air pollution in Shanghai in 2013-2015 is attributed to long-distance transport and primarily affected by the air mass from northwest direction. Observations on long-term aerosol optical properties on the basis of in-situ measurements can help thoroughly understand the radiative forcing characteristics of aerosol.Phytoremediation is an effective strategy for the remediation of lead-zinc slag, while the response of plant on lead and zinc was less concerned. In this study, mushroom residue was adding in lead-zinc slag to enhance the phytoremediation potential of P. fortunei, the effects of three treatments (lead-zinc slag, red soil, lead-zinc slag + 10% (m/m) mushroom residue) on the growth, physiology and microstructure of P. fortunei were determined. The results showed that the addition of mushroom residue increased the biomass, plant height and chlorophyll concentration of P. fortunei, indicating that the addition of mushroom residue can facilitate the growth of P. fortunei. Moreover, the proportions of oxalate-Pb forms and phosphate-Zn were dominant in leaves and stems of P. fortunei. With the addition of mushroom residue, Pb and Zn were transformed to the extraction state with weak migration activity, which can reduce the damage level of Pb and Zn to P. fortunei. The results from scanning transmission electron microscopy (STEM) showed that, the mushroom residue amendment could maintain the integrity of the cell structural of P. fortunei. The results from fourier transform infrared spectrometer (FTIR) analysis showed that the mushroom residue amendment could increase the contents of proteins and polysaccharides in P. fortunei, which can combine with the metals. Clearly, the mushroom residue amendment could promote the growth ability of P. fortunei in lead and zinc slag and strengthen the phytoremediation potential.