Efficient catalysts for the electroreduction of N2 to NH3 are of paramount importance for sustainable ammonia production. Recently, it was reported that NbSe2 nanosheets exhibit an excellent catalytic activity for nitrogen reduction under ambient conditions. However, existing theoretical calculations suggested an overpotential over 3.0 V, which is too high to interpret the experimental observations. To reveal the underlying mechanism of the high catalytic activity, in this work, we assessed NbSe2 edges with different chirality and Se vacancies by using first principles calculations. Our results show that N2 can be efficiently reduced to NH3 on a pristine zigzag edge via the enzymatic pathway with an overpotential of 0.45 V. Electronic structure analysis demonstrates that the N2 molecule is activated by the back-donation mechanism. The efficient tuning of the local chemical environments by edge chirality provides a promising approach for catalyst design.The zigzag edge of the NbSe2 monolayer exhibits an overpotential as low as 0.45 V along the enzymatic pathway.相似文献
Air pollutants of PM2.5 can alter the composition of gut microbiota and lead to inflammation in the lung and gastrointestinal tract. The aim of this study was to evaluate the protective effect of a novel herbal extract blend, FC, composed of Lonicera japonica extract, Momordica grosvenori extract, and broccoli seed extract, on PM2.5-induced inflammation in the respiratory and intestinal tract. A549 cells and THP-1 cells, as well as C57BL/6 mice, were stimulated with PM2.5 to establish in vitro and in vivo exposure models. The models were treated with or without FC. The expression of inflammatory cytokines and tight junction proteins were studied. Proteomic analysis was performed to elucidate mechanisms. Mouse feces were collected for gut microbiota analysis. FC was shown to modulate the upregulation of pro-inflammatory cytokines mRNA expression in A549 and THP-1 cells and downregulated tight junction proteins mRNA expression in A549 cells due to PM2.5 stimulation. In animal models, the decreased expression of the anti-inflammatory factor il-10, tight junction protein ZO-1, and the elevated expression of COX-2 induced by PM2.5 were improved by FC intervention, which may be associated with zo-1 and cox-2 signaling pathways. In addition, FC was shown to improve the gut microbiota by increasing the abundance of beneficial bacteria. 相似文献
Petroleum-based oils are widely used as processing aids in rubber composites to improve processability but can adversely affect rubber composite performance and increase carbon footprint. In this research, liquid guayule natural rubber (LGNR), produced from guayule natural rubber, was used as a renewable processing aid to replace naphthenic oil (NO) in Hevea natural rubber, styrene-butadiene rubber (SBR) and guayule natural rubber (GNR) composites. The rheological properties, thermal stability, glass transition temperature, dynamic mechanical properties, aging, and ozone resistance of rubber composites with and without NO or LGNR were compared. Natural and synthetic rubber composites made with LGNR had similar processability to those made with NO, but had improved thermal stability, mechanical properties after aging, and ozone resistance. This was due to the strong LGNR–filler interaction and additional crosslinks formed between LGNR and the rubber matrices. The glass transition temperature of SBR composites was reduced by LGNR because of its increased molecular mobility. Thus, unlike NO, LGNR processing aid can simultaneously improve rubber composite durability, dynamic performance and renewability. The commercialization of LGNR has the potential to open a new sustainable processing-aid market. 相似文献
As an important water conveying structure, the seismic safety of the hydraulic aqueduct has attracted considerable interest. Different from the general bridge structure, the seismic analysis of the aqueduct structure needs to consider its fluid–structure interaction. The existing numerical simulation methods cannot truly reflect the fluid–solid coupling mechanism. Therefore, scholars began to use shaking table tests to study the fluid–structure interaction mechanism. However, the research is immature, and it is mostly focused on the seismic response analysis, and there are few studies on the model test similarity ratio and model material properties. Based on this, in this paper, according to the requirements of the test similarity ratio, the orthogonal experiment was used to explore the influence of barite sand content, water–cement ratio, fine sand ratio, and lime ratio on the mechanical properties of microconcrete. The performance indicators of microconcrete under different mix ratios vary widely, with a minimum variation of 19% and a maximum of 102%. Barite sand has the most significant control effect on the density, and the water–cement ratio has the most significant control effect on the compressive strength and elastic modulus. The density variation range is 2.37–2.81 g/cm3, the cube compressive strength variation range is 18.37–36.94 MPa, and the elastic modulus variation range is 2.11 × 104–3.28 × 104 MPa. This study will provide certain evidence for the similarity ratio design and material selection of the scaled model test of the fluid–solid coupling structure. 相似文献