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RSC Advances · 2018 ·Vol. 8 ·期 4 ·1784-1790 · IF 2.936

Novel insensitive energetic-cocrystal-based BTO with good comprehensive properties

Jingjing Tao,Bo Jin,Shijin Chu,Rufang Peng,Yu Shang,Bisheng Tan

Combining a layer construction strategy with cocrystallization techniques, we designed and prepared a structurally unusual 1H,1′H-5,5′-bistetrazole-1,1′-diolate (BTO) based energetic cocrystal, which we also confirmed by single-crystal X-ray diffraction and powder-crystal X-ray diffraction. The obtained cocrystal crystallizes in a triclinic system, P-1 space group, with a density of 1.72 g cm−3. The properties including the thermal stability, sensitivity and detonation performance of the cocrystal were analyzed in detail. In addition, the thermal decomposition behavior of the cocrystal was studied by differential calorimetry and thermogravimetry tandem infrared spectroscopy. The results indicated that the cocrystal exhibits strong resistance to thermal decomposition up to 535.6 K. The cocrystal also demonstrates a sensitivity of >50 J. Moreover, its formation enthalpy was estimated to be 2312.0 kJ mol−1, whereas its detonation velocity and detonation pressure were predicted to be 8.213 km s−1 and 29.1 GPa, respectively, by applying K–J equations. Therefore, as expected, the obtained cocrystal shows a good comprehensive performance, which proves that a high degree of layer-by-layer stacking is essential for the structural density, thermal stability and sensitivity.

研究领域: 材料科学 · 化学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2024 · IF 8.1

Sr, Mn, and Zn extraction and separation from zinc electrolyte crystallization sediment with Ca and Sr sulfate cocrystallization structure: Reduction roasting reconstruction mechanism

Bingbing Liu,Yifei Zhang,Peidong Yang,Yanfang Huang,Yubin Xue,Hu Sun,Shuzhen Yang,Guihong Han

Zinc electrolyte crystallization sediment (ZECS) generated in the zinc hydrometallugy industry contains valuable metals of strontium (Sr), manganese (Mn), and zinc (Zn), which has economical value but poses potential detrimental to the environment. However, the extraction and recovery of Sr is extremely difficult due to the thermodynamically stable Ca and Sr sulfate cocrystallization structure in ZECS. The destruction of refractory sulfate cocrystallization structure is a prerequisite for Sr extraction, and the carbothermal reduction roasting method is demonstrated to be efficient for the phase reconstruction. In this study, a stepwise Sr, Mn, and Zn recovery process from ZECS via carbothermal reduction roasting-acid leaching-selective precipitation-multistage extraction was proposed. In the reduction roasting procedure, all the sulfates including CaSO 4 , SrSO 4 , and Ca 0.7 Sr 0.3 SO 4 are reduced to soluble sulfides. Meanwhile, most MnO 2 is converted to a low-valence Mn product (MnO) that is soluble in acid, and the reduced Zn (g) is volatilized which can be collected from the flue dust. In the acid leaching procedure, the leaching efficiencies of Sr, Ca, and Mn are as high as 97.34%, 97.44%, and 95.49% respectively, while 99.50% Si in the form of silica is enriched in the leaching residue. After that, high-purity Sr solution was obtained after selective precipitation for Mn removal and D2EHPA multistage extraction for Ca removal. 97.41% Mn in the leaching solution is precipitated by adjusting the pH value to 9.5 with NaOH solution. After four-stage extraction, 79.60% Sr and only 0.35% Ca are retained in the aqueous phase. The purified solution contains 2.88 g/L Sr, 0.052 g/L Ca, and 0.014 g/L Mn, which can be used to prepare industrial SrCO 3 product via the carbonation operation. Thermodynamic behavior and reduction roasting reconstruction mechanism of Ca and Sr sulfate cocrystallization structure in ZECS were discussed in this work. The distributions of main metal elements (Sr, Ca, Mn, and Zn) in ZECS during the carbothermal reduction roasting-acid leaching-selective precipitation-multistage extraction process were also systematically studied.

CAS / MDL: 7782-42-5 298-07-7
研究领域: 冶金学 · 环境科学
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Energy Storage · 2021 ·Vol. 4 ·期 2 ·e289 · IF 0

Fabrication of form-stable phase change material with enhanced thermal performance based on the cocrystal of comb-like polymer and paraffin

Peng Kong,Wei Zou,Zhongjie Du,Jingqian Deng,Chen Zhang

The comb-like polymers with crystalline aliphatic side chains are synthesized and then applied as the supporting material of phase change material. First, poly(styrene-co-acrylic acid) n -graft-octadecylamine (P(S-AA) n -C18, wherein “ n ” denoted AA feed ratio) is prepared. The crystalline behaviors of the comb-like polymer with different grafting densities are investigated. Then the paraffin@P(S-AA) n -C18 is obtained by packing paraffin into P(S-AA) n -C18. Attributed to the cocrystallization with paraffin, a form-stable phase change material (FSPCM) with high content of paraffin (≥90 wt% paraffin in FSPCMs without obvious leakage) and enhanced thermal property is obtained. The melting and freezing enthalpies of FSPCMs reach 124.4 and 126.3 J/g, respectively, which are higher than that of pure paraffin. And good thermal cycling stability and good thermal stability of FSPCMs are also exhibited. The result offers an avenue for developing the high-efficient thermal energy storage materials.

CAS / MDL: 94-36-0 124-30-1
研究领域: 材料科学 · 能源存储
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International Journal of Applied Ceramic Technology · 2023 ·Vol. 20 ·期 3 ·1919-1927 · IF 2.1

Mechanical properties of B4C–CrB2 binary eutectic composites prepared by arc-melting

Rong Tu,Jiaojiao Li,Mingpu Jia,Qizhong Li,Meijun Yang,Song Zhang,Takashi Goto

B 4 C–CrB 2 composites were prepared by arc-melting using B 4 C and CrB 2 powders as raw materials. The eutectic composition of B 4 C–CrB 2 system was 30B 4 C–70CrB 2 (mol%) with a labyrinth-like irregularly layered eutectic microstructure, composed of B 4 C phase about 1–2 μm in thickness dispersing in CrB 2 matrix, much smaller than raw powders. The interface of the eutectic composite was well bonded, and there were edge dislocations at the interface to alleviate the interface mismatch. The eutectic temperature of B 4 C–CrB 2 composites was approximately 2200 K. At the eutectic composition, the B 4 C–CrB 2 composites showed the maximum Vickers hardness (24.6 GPa) and fracture toughness (4.3 MPa m 1/2 ) at room temperature.

CAS / MDL: 12069-32-8 12006-80-3
研究领域: 材料科学 · 机械工程
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JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY · 2025 · IF 5.4

Discovery of conformation constrained tetracyclic compounds as potent chitinase OfChi-h inhibitors with a novel binding mode

Pengtao Yuan,Xi Jiang,Xintong Ni,Xusheng Shao,Xuhong Qian,Qing Yang

Chitinase h (Chi-h) has been identified as a promising pesticide target due to its exclusive distribution in lepidopteran insects and its essential role in the moulting processes. In this study, we leverage OfChi-h from destructive agricultural pest Ostrinia furnacalis (Asian corn borer) as a model target to identify novel chitinase inhibitors. A conformational restriction approach was employed to design a series of novel OfChi-h inhibitors. Among these, compound 6a showed the highest inhibitory activity against OfChi-h, with a Ki value of 58 nM. Molecular docking analysis suggested that 6a tightly bound to three subsites (-3 to −1) of OfChi-h. The binding mode is further confirmed by the co-crystallization data of 6a with the SmChiA, a bacterial homologue of OfChi-h, at a resolution of 1.8 Å. This research presents a novel approach for the development of highly potent insect chitinase inhibitors, offering potential tools for effective pest control.

CAS / MDL: 4637-24-5
研究领域: 农药研究 · 酶抑制 · 结构生物学 · 农业化学 · 昆虫生物化学
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