2-Amino-3-nitro-pyridinium 4-hy-droxy-benzene-sulfonate.

In the crystal structure of the title salt, C(5)H(6)N(3)O(2) (+)·C(6)H(5)O(4)S(-), N-H⋯O and O-H⋯O hydrogen bonds link the cations and anions. The dihedral angle between the rings of the cation and anion is 79.91 (6)°.

Phosphorus/Phosphide-Based Materials for Alkali Metal-Ion Batteries.

Phosphorus- and phosphide-based materials with remarkable physicochemical properties and low costs have attracted significant attention as the anodes of alkali metal (e.g., Li, Na, K, Mg, Ca)-ion batteries (AIBs). However, the low electrical conductivity and large volume expansion of these materials during electrochemical reactions inhibit their practical applications. To solve these problems, various promising solutions have been explored and utilized. In this review, the recent progress in AIBs using phosphorus- and phosphide-based materials is summarized. Thereafter, the in-depth working principles of diverse AIBs are discussed and predicted. Representative works with design concepts, construction approaches, engineering strategies, special functions, and electrochemical results are listed and discussed in detail. Finally, the existing challenges and issues are concluded and analyzed, and future perspectives and research directions are given. This review can provide new guidance for the future design and practical applications of phosphorus- and phosphide-based materials used in AIBs.

Mechanistic insight into the function of the C-terminal PKD domain of the collagenolytic serine protease deseasin MCP-01 from deep sea Pseudoalteromonas sp. SM9913: binding of the PKD domain to collagen results in collagen swelling but does not unwind the collagen triple helix.

Deseasin MCP-01 is a bacterial collagenolytic serine protease. Its catalytic domain alone can degrade collagen, and its C-terminal PKD domain is a collagen-binding domain (CBD) that can improve the collagenolytic efficiency of the catalytic domain by an unknown mechanism. Here, scanning electron microscopy (SEM), atomic force microscopy (AFM), zeta potential, and circular dichroism spectroscopy were used to clarify the functional mechanism of the PKD domain in MCP-01 collagenolysis. The PKD domain observably swelled insoluble collagen. Its collagen-swelling ability and its improvement to the collagenolysis of the catalytic domain are both temperature-dependent. SEM observation showed the PKD domain swelled collagen fascicles with an increase of their diameter from 5.3 mum to 8.8 mum after 1 h of treatment, and the fibrils forming the fascicles were dispersed. AFM observation directly showed that the PKD domain bound collagen, swelled the microfibrils, and exposed the monomers. The PKD mutant W36A neither bound collagen nor disturbed its structure. Zeta potential results demonstrated that PKD treatment increased the net positive charges of the collagen surface. PKD treatment caused no change in the content or the thermostability of the collagen triple helix. Furthermore, the PKD-treated collagen could not be degraded by gelatinase. Therefore, though the triple helix monomers were exposed, the PKD domain could not unwind the collagen triple helix. Our study reveals the functional mechanism of the PKD domain of the collagenolytic serine protease MCP-01 in collagen degradation, which is distinct from that of the CBDs of mammalian matrix metalloproteases.

Investigation of Microstructure and Mechanical Performance of IN738LC Superalloy Thin Wall Produced by Pulsed Plasma Arc Additive Manufacturing.

The IN738LC Ni-based superalloy strengthened by the coherent γ'-Ni3(Al,Ti) intermetallic compound is one of the most employed blade materials in gas turbine engines and IN738LC thin wall components without macro-cracks were fabricated by pulsed plasma arc additive manufacturing (PPAAM), which is more competitive when considering convenience and cost in comparison with other high-energy beam additive manufacturing technologies. The as-fabricated sample exhibited epitaxial growth columnar dendrites along the building direction with discrepant secondary arm spacing due to heat accumulation. A lot of fine γ' particles with an average size of 81 nm and MC carbides were observed in the interdendritic region. Elemental segregation and γ-γ' eutectic reaction were analyzed in detail and some MC carbides were confirmed in the reaction L + MC→γ + γ'. After standard heat treatment, bimodal distribution of γ' phases, including coarse γ' particles (385 nm, 42 vol.%) and fine γ' particles (42 nm, 25 vol.%), was observed. The mechanism of microstructural evolution, phase formation, as well as cracking mechanisms were discussed. Microhardness and tensile tests were carried out to investigate the mechanical performance. The results show that both the as-fabricated and heat-treated samples exhibited a higher tensile strength but a slightly lower ductility compared with cast parts.

Theoretical screening of efficient single-atom catalysts for nitrogen fixation based on a defective BN monolayer.

The electrocatalytic reduction of naturally abundant N2 to NH3 is an attractive approach to replace the Haber-Bosch nitrogen-fixation process that causes enormous energy consumption and greenhouse gas emissions. However, designing high-performance catalysts toward the electrocatalytic N2 reduction reaction (eNRR) remains one of the greatest challenges in this area. Herein, high-throughput screening of catalysts for the NRR among a series of transition metal atoms supported on a defective hexagonal boron nitride (h-BN) nanosheet is performed through spin-polarized density functional theory (DFT) computations. Strikingly, among the 18 candidates, the V/Tc atom anchored on a defective h-BN monolayer (V@BN and Tc@BN) showed good NRR activity with relatively low onset potentials. Particularly, V@BN was found to exhibit outstanding catalytic activity for the NRR via an enzymatic pathway with an extremely low overpotential of 0.25 V. The value is significantly lower than that on the Ru (0001) stepped surface that has the best NRR catalytic performance among bulk metal catalysts. The novel NRR activity of V@BN is attributed to the enhanced electrical conductivity due to V-doping, the "donation-backdonation" process for N2 activation, and the highly centralized spin-polarization on the V atom. This work not only provides a quite promising catalyst for the NRR but also provides new insights for the rational design of single-atom NRR catalysts.

Passively Q-switched dual-wavelength laser output of LD-end-pumped ceramic Nd:YAG laser.

We reported a dual-wavelength laser with a ceramic Nd:YAG as laser material and Cr:YAG as frequency selector and saturable absorber. Continuous-wave output power was achieved to be as high as 6.19 W at 1052 nm. With Cr:YAG, the laser has dual-wavelength at 1052 and 1064 nm. The shortest pulse width, maximum pulse energy and highest peak power were 4.8 ns, 103.2 microJ, and 21.5 kW. This pulsed laser is possible to be used as a new source to generate terahertz radiation.

Synergistic Effect of Doping and Compositing on Photocatalytic Efficiency: A Case Study of La2Ti2O7.

Charge generation and separation are two key issues in developing a high-efficiency semiconductor for the visible-light-driven photocatalysis. Here, we use the layered perovskite-type wide-gap semiconductor La2Ti2O7 (LTO) as a model to systematically explore the synergistic effect of doping (with sulfur or nitrogen) and heterojunction (with graphitic C3N4) on improving visible light absorption and photoexcited charge separation by means of density functional theory calculations. It is found that the anion (N or S) doping into the LTO(010) surface can not only shift the optical absorption edge to the visible region, but also creates some partially occupied or unoccupied states in the band gap that would facilitate the formation of recombination centers. For the purpose of promoting electron-hole separation, the (N or S-doped) LTO(010) surfaces were hybridized with the monolayer g-C3N4. Interestingly, we found that the (S-doped) LTO/g-C3N4 heterostructure forms a type-II heterojunction, with the valence band maximum residing in the (S-doped) LTO and the conduction band minimum in g-C3N4, respectively. This band alignment feature facilitates efficient electron-hole separation. Moreover, we found that the S-doped LTO/g-C3N4 composite has a short interfacial distance (about 2.1 Å), implying that the interfacial interaction of this composite might be a chemical bond rather than a weak van der Walls interaction. The chemical bonding can enhance charge separation. Our theoretical findings provide design principles for optimizing the photocatalytic performance of the wide-gap photocatalysts and demonstrate that the S-doped LTO/g-C3N4 composite would be a potential candidate for the photocatalysis of water splitting.

Microstructural evolution and mechanical property of Ti-6Al-4V wall deposited by continuous plasma arc additive manufacturing without post heat treatment.

Plasma arc additive manufacturing (PAM) is a novel additive manufacturing (AM) technology due to its big potential in improving efficiency, convenience and being cost-savings compared to other AM processes of high energy bea\m. In this research, several Ti-6Al-4V thin walls were deposited by optimized weld wire-feed continuous PAM process (CPAM), in which the heat input was gradually decreased layer by layer. The deposited thin wall consisted of various morphologies, which includes epitaxial growth of prior ß grains, horizontal layer bands, martensite and basket weave microstructure, that depends on the heat input, multiple thermal cycles and gradual cooling rate in the deposition process. By gradually reducing heat input of each bead and using continuous current in the PAM process, the average yield strength (YS), ultimate tensile strength (UTS) and elongation reach about 877MPa, 968MPa and 1.5%, respectively, which exceed the standard level of forging. The mechanical property was strengthened and toughened due to weakening the aspect ratio of prior ß grains and separating nano-dispersoids among α lamellar. Furthermore, this research demonstrates that the CPAM process has a potential to manufacture or remanufacture in AM components of metallic biomaterials without post-processing heat treatment.