Insight into the Stability of Pentazolyl Derivatives based on Covalent Bond.

Pentazole is regarded as a unique inorganic molecule that possess organic heterocyclic structure. Therefore, the research on pentazolyl derivatives represents a cutting-edge direction in both contemporary inorganic chemistry and heterocyclic chemistry. Moreover, their synthesis is regarded as the most significant research topic in the field of energetic materials due to the great potential of pentazolyl derivatives to breakthrough the energy bottleneck of CHNO-based energetic materials. However, synthesizing pentazolyl derivatives is challenging. To provide a theoretical support for the synthesis, we conducted theoretical studies on six single-ring pentazolyl derivatives with different functional groups. The results suggest that derivatization reduces the bond strength and weakens the aromaticity of the pentazolate ring. Further analysis showed that derivatization mainly affects the π aromaticity of the pentazolate ring, and ultimately causing poor stability of the pentazolyl derivatives. Among the six derivatives investigated in this study, fluoro pentazole (cyclo-N5-F) and hydroxyl pentazole (cyclo-N5-OH) possess good aromaticity, which is similar to the reported cyclo-N5-NCHN(CH3)2. Further calculations show that the kinetic stability of cyclo-N5-OH is higher than that of cyclo-N5-F. These results collectively indicate that cyclo-N5-OH is a promising candidate for synthesizing single-ring pentazolyl derivatives.

MgFe-LDH@biochars for removing ammonia nitrogen and phosphorus from biogas slurry: Synthesis routes, composite performance, and adsorption mechanisms.

Layered double hydroxide-biochar composites (LDH@BCs) have been developed for ammonia nitrogen (AN) and phosphorus (P) removal from wastewater. Improvement of LDH@BCs was limited due to the lack of comparative evaluation based on LDH@BCs characteristics and synthetic methods and information on the adsorption properties of LDH@BCs for N and P from natural wastewater. In this study, MgFe-LDH@BCs were synthesized by three different co-precipitation procedures. The differences in physicochemical and morphological properties were compared. They were then employed to remove AN and P from biogas slurry. The adsorption performance of the three MgFe-LDH@BCs was compared and evaluated. Different synthesis procedures can significantly affect the physicochemical and morphological characteristics of MgFe-LDH@BCs. The LDH@BC composite fabricated through a novel method (labeled 'MgFe-LDH@BC1') has the largest specific surface area, Mg and Fe content, and excellent magnetic response performance. Moreover, the composite has the best adsorption property of AN and P from biogas slurry (30.0% and 81.8%, respectively). The main reaction mechanisms include memory effect, ion exchange, and co-precipitation. Applying 2% MgFe-LDH@BC1 saturated with AN and P adsorption from biogas slurry as a fertilizer substitute can substantially improve soil fertility and increase plant production by 139.3%. These results indicate that the facile LDH@BC synthesis method is an effective method to overcome the shortcomings of LDH@BC in practical application, and provide a basis for further exploration of the potential application of biochar based fertilizers in agriculture.

Structural Analysis and Controllable Fabrication of Two Pentazolate-Based 3D Topological Networks.

Two novel sodium-pentazolate frameworks (namely, MPF-3 and MPF-4) were achieved by adding simple additives. MPF-3 exhibits an aesthetic three-dimensional (3D) framework with the zeolitic MTN topology, featuring Na28N80 and Na20N60 nanocages. In MPF-4, two left-handed helical chains construct enclosed homochiral channels filled with dimethyl sulfone molecules, which constitute a zeolite-like UNJ topology. Importantly, the preparation of these two compounds provides an effective experimental means to explore the unique symmetrical structure and multiple coordination modes of pentazolium anion and demonstrates that it is possible to regulate the crystal structure through appropriate additives.

Resveratrol suppresses melanoma growth by promoting autophagy through inhibiting the PI3K/AKT/mTOR signaling pathway.

Resveratrol (RV) is a natural polyphenolic phytoalexin derived from peanuts, red grape skins and red wine, and has been demonstrated to alleviate multiple types of malignancies. However, how RV achieves this in melanoma is unknown. The aim of present study was to investigate the role of RV in melanoma, using Cell Counting Kit-8, flow cytometry and western blot analysis. RV inhibited melanoma cell viability, migration and invasion counteracting melanoma progression. In addition, proteins associated with autophagy, including Beclin 1 and microtubule-associated protein 1A/1B-light chain 3 (LC3)-II/I, were upregulated, whereas p62 expression was downregulated in RV-treated cells. The number of LC3+ puncta, which can be applied to represent autophagosome formation, increased following RV treatment, suggesting that RV may trigger autophagy in melanoma cells. Treatment with the autophagy inhibitor, 3-methyladenine, reversed the RV-dependent inhibition of viability, migration and invasion of melanoma cells. RV treatment also reduced the ratios of phosphorylated (p)-AKT/AKT and p-mTOR/mTOR in melanoma cells. In conclusion, these findings suggested that RV may inhibit the viability and migration of melanoma cells through inhibiting the AKT/mTOR pathway, thus triggering autophagy. This indicated that RV may serve as an innovative therapeutic for melanoma treatment.

Synthesis of Thermally Stable and Insensitive Energetic Materials by Incorporating the Tetrazole Functionality into a Fused-Ring 3,6-Dinitropyrazolo-[4,3-c]Pyrazole Framework.

A series of fused-ring energetic materials, i.e., 3,6-dinitro-1,4-di(1H-tetrazol-5-yl)-pyrazolo[4,3-c]pyrazole (DNTPP, compound 2) and its ionic derivatives (compounds 3-8), were designed and synthesized in this study. The molecular structures of compounds 2, 3, 6, 7·2H2O, and 8 were confirmed using single-crystal X-ray diffraction. Their physicochemical and energetic properties, such as density, thermal stability, heat of formation, sensitivity, and detonation properties (e.g., detonation velocity and detonation pressure), were also evaluated. The results indicate that DNTPP and most of its ionic derivatives are extremely thermally stable and insensitive toward mechanical stimuli. In particular, the thermal decomposition temperature of compound 3 is up to 329 °C, while compounds 7 and 8 are very insensitive (impact sensitivity: >20 J; friction sensitivity: >360 N). Compounds 2, 3, and 6 possess good comprehensive properties, including excellent thermal stability, remarkable low sensitivities, and favorable detonation performance. These features show that DNTPP and its ionic derivatives have considerable promise as thermally stable and insensitive energetic materials.