Equation of state of water based on the SCAN meta-GGA density functional.

Based on the newly developed SCAN meta-GGA and the widely used PBE-GGA functionals, ab initio molecular dynamics are performed on water. It is proved that, although the SCAN meta-GGA is not as good as the TIP4P/2005 model potential in describing the equation of state of water, it is much better than the PBE-GGA, the ST2 model potential, and ab initio trained neural network potentials. Moreover, the SCAN meta-GGA predicts a first-order liquid-liquid transition from high- to low-density water at negative pressure, in which the structures are qualitatively consistent with experimental observations, and the spinodal point of high-density water is very close to Speedy's stability limit line.

Controllable spin splitting in 2D ferroelectric few-layerγ-GeSe.

γ-GeSe is a new type of layered bulk material that was recently successfully synthesized. By means of density functional theory first-principles calculations, we systematically studied the physical properties of two-dimensional (2D) few-layerγ-GeSe. It is found that few-layerγ-GeSe are semiconductors with band gaps decreasing with increasing layer number; and 2Dγ-GeSe with layer numbern⩾ 2 are ferroelectric with rather low transition barriers, consistent with the sliding ferroelectric mechanism. Particularly, spin-orbit coupling induced spin splitting is observed at the top of valence band, which can be switched by the ferroelectric reversal; furthermore, their negative piezoelectricity also enables the regulation of spin splitting by strain. Finally, excellent optical absorption was also revealed. These intriguing properties make 2D few-layerγ-GeSe promising in spintronic and optoelectric applications.

Effect of substrate COD/N ratio on performance and microbial community structure of a membrane aerated biofilm reactor.

Two parallel carbon-membrane aerated biofilm reactors were operated at well-defined conditions to investigate the effect of substrate COD/N ratios on the performance and microbial community structure of the bioreactor. Results showed that at substrate COD/N of 5, organic and nitrogen could be eliminated simultaneously, and COD removal degree, nitrification and denitrification efficiency reached 85%, 93% and 92%, respectively. With increasing substrate COD/N ratios, the specific oxygen utilization rates of nitrifying bacteria in biofilm were found to decrease, indicating that nitrifying population became less dominant. At substrate COD/N ratio of 6, excessive heterotrophs inhibited the activity of nitrifying bacteria greatly and thus led to poor nitrification process. With the help of fluorescence in situ hybridization (FISH), Nitrosomonas and Nitrosospira were identified as dominant ammonia-oxidizing bacteria in the biofilm at substrate COD/N of 0, whereas only Nitrosospira were detected in the biofilm at COD/N ratio of 5. Nitrospira were present as dominant nitrite-oxidizing bacteria in our study. Confocal laser scanning microscopy images revealed that at substrate COD/N ratio of 0 nitrifying bacteria existed throughout the biofilm and that at COD/N ratio of 5 they were mainly distributed in the inner layer of biofilm.

Arbuscular mycorrhizal fungi increase salt tolerance of apple seedlings.

BACKGROUND: Apple trees are often subject to severe salt stress in China as well as in the world that results in significant loss of apple production. Therefore this study was carried out to evaluate the response of apple seedlings inoculated with abuscular mycorrhizal fungi under 0, 2‰, 4‰ and 6‰ salinity stress levels and further to conclude the upper threshold of mycorrhizal salinity tolerance. RESULTS: The results shows that abuscular mycorrhizal fungi significantly increased the root length colonization of mycorrhizal apple plants with exposure time period to 0, 2‰ and 4‰ salinity levels as compared to non-mycorrhizal plants, however, percent root colonization reduced as saline stress increased. Salinity levels were found to negatively correlate with leaf relative turgidity, osmotic potential irrespective of non-mycorrhizal and mycorrhizal apple plants, but the decreased mycorrhizal leaf turgidity maintained relative normal values at 2‰ and 4‰ salt concentrations. Under salt stress condition, Cl- and Na+ concentrations clearly increased and K+ contents obviously decreased in non-mycorrhizal roots in comparison to mycorrhizal plants, this caused mycorrhizal plants had a relatively higher K+/Na+ ratio in root. In contrast to zero salinity level, although ascorbate peroxidase and catalase activities in non-inoculated and inoculated leaf improved under all saline levels, the extent of which these enzymes increased was greater in mycorrhizal than in non-mycorrhizal plants. The numbers of survived tree with non-mycorrhization were 40, 20 and 0 (i.e., 66.7%, 33.3% and 0) on the days of 30, 60 and 90 under 4‰ salinity, similarly in mycorrhization under 6‰ salinity 40, 30 and 0 (i.e., 66.7%, 50% and 0) respectively. CONCLUSION: These results suggest that 2‰ and 4‰ salt concentrations may be the upper thresholds of salinity tolerance in non-mycorrhizal and mycorrhizal apple plants, respectively.