Double pyrovanadates CaMgV2O7: Formation mechanism,phase structure,and thermodynamic properties

A double pyrovanadate CaMgV₂O₇ sample was synthesized via a facile solid-state route under an air atmosphere. The nonequilibrium formation pathways of the CaMgV₂O₇ were investigated via powder X-ray diffraction. A multistep reactions path (metavanadates–pyrovanadates–double pyrovanadate CaMgV₂O₇) was proposed to describe the formation of the CaMgV₂O₇ considering the thermodynamic and kinetic factors. The cell unit parameters of the CaMgV₂O₇ sample indicated the crystallization according to a monoclinic system with space group P12/c1(14), and the lattice parameters of a = 6.756 Å, b = 14.495 Å, c = 11.253 Å, β = 99.12, and V = 108.806 Å³. X-ray photoelectron spectroscopy also confirmed the +5 oxidation state vanadium in CaMgV₂O₇. The endothermic effects at 1033 and 1143 K were related to the incongruent melting and liquidus temperatures of CaMgV₂O₇, respectively. The comprehensive thermodynamic properties of CaMgV₂O₇ were established in both low- and high-temperature regions, utilizing a physical property measurement system and multi-high-temperature calorimetry (96 lines). The heat capacity (200 J mol K⁻¹) and entropy (198 J mol K⁻¹) at 298.15 K were computed based on the low-temperature heat capacity values, and the enthalpy of formation at 298.15 K was also estimated. The fitted high-temperature capacity can be used to obtain the changes in the enthalpy, entropy, and Gibbs free energy. This study is part of building a reliable thermodynamic database of the CaO–MgO–V₂O₅ system.     

有砟轨道路基翻浆冒泥模型试验系统的研发与应用

为研究既有线有砟轨道路基的翻浆冒泥机理，自主研发了一套能够模拟循环荷载–湿化耦合作用的模型试验系统。模型试样直径500 mm，由厚度分别为350 mm的路基土和200 mm的道砟组成，整个试样在高强度透明有机玻璃模型筒中制备完成。模型试验系统配备有监测荷载、位移、体积含水率和孔隙水压力的4种传感器，并通过高清相机对颗粒迁移过程进行图像捕捉。基于所研发的试验系统，针对辛泰铁路典型翻浆冒泥病害路段土样，开展翻浆冒泥模型试验。试验结果表明：动孔隙水压力是导致翻浆冒泥病害产生的关键因素。随着体积含水率的增加，动孔隙水压力引起的颗粒迁移量逐渐增加；在饱和状态下，会引起大量颗粒迁移，翻浆冒泥现象显著。试验结束时，道砟污染指数达到25%，在实际工程中已严重影响铁路的正常运营，有必要对污染道砟进行换填。     

Thermodynamic calculation and microstructure characterization of spinel formation in MgO–Al2O3–C refractories

In this paper, by simulating the gas phase conditions inside the MgO–Al₂O₃–C refractories during continuous casting process and combining with thermodynamic analysis, as well as SEM analysis, the gas-gas and gas-solid formation of MA spinel were clarified in carbon containing refractories. Thermodynamic calculations showed that gas partial pressure of CO, O₂ and Mg could meet the formation and stable existence conditions of MA spinel in MgO–Al₂O₃–C refractories under service environment, and nitrogen could not affect the formation of MA spinel at 1550 °C in the thermodynamic condition. The formation processes of MA spinel were analyzed experimentally under embedding carbon atmosphere. The carbon-coated alumina powders in MgO–Al₂O₃–C refractories prevented the direct contact between magnesia and alumina. Mg gas was formed by carbon thermal reaction, then reacted with alumina (gas-solid) and gas containing aluminum (gas-gas) to generate MA spinel. Through gas-gas or gas-solid reaction, the formation of MA spinel was effectively controlled. By means of SEM analysis, a two-layer structure with dense outer spinel layer and loose inner layer was formed in MgO–Al₂O₃–C refractories.     

Irradiation-induced large bubble formation and grain growth in super nano-grained ceramic

In this work, 0.5TRPO•0.5Gd₂Zr₂O₇ ceramic with an average grain size of only ∼15 nm was prepared by a high pressure (5 GPa/520 °C) sintering method. Phase evolutions and microstructure changes of the as-fabricated super nano and micron-grained ceramics under a high-dose displacement damage induced by 300 keV Kr²⁺ ions were investigated. The results show that the super nano-grained ceramic has low degree of amorphization, obvious grain growth (2–3 times in grain size) and big Kr bubbles (10–68 nm) formation after irradiation. The micron-grained ceramic was severely amorphized after irradiation and many microcracks were formed parallel to its surface. The formation mechanism of Kr bubbles in the super nano-grained ceramic is on account of grain boundary diffusion and migration induced by the accumulation of the injecting Kr ions and irradiation defects. Nevertheless, microcracks formed in the micron-grained sample are caused by the accumulation of Kr atoms.     

Synthesis,Characterization, Speciation,and Biological Studies on Metal Chelates of Carbohydrates with Molecular Docking Investigation

The role of starch aerogel (St-AG) and carboxymethyl cellulose (CMC) as biolgical active compounds, when they subjected for complexation with metal ions, is assessed in this work. The complexation is carried out with palladium(II) and copper(II) ions, in solid state. Different tools of analysis are carried out to characterize and elucidate the structures of these complexes, namely: elemental analysis, IR, thermal analysis, magnetic measurement and molar conductance techniques. All synthesized complexes are formed with 1:2 (metal:ligand) stoichiometry except the case of aerogel starch 1:1 (Pd:starch). All isolated complexes show a satisfactory cytotoxic effect results against colon cancer cell lines HCT11. Additionally, these complexes are screened for their antibacterial activities against two types of Gram positive and negative bacteria. Molecular docking investigation confirmed the cytotoxicity and antibacterial results. Proton–ligands association constants and their complex formation constants with some bivalent metal ions, using potentiometric method show that the complexes formed in solution have a stoichiometry of 1:1 [metal:ligand]. The effects of metal ion, ionic radius, electronegativity and nature of ligand on the formation constants are discussed. The formation constants of the complexes with 3D transition metals followed the order Mn²⁺ < Co²⁺ < Ni²⁺ < Cu²⁺ > Zn²⁺.     

Role of Metabolism in Bone Development and Homeostasis

Carbohydrates, fats, and proteins are the underlying energy sources for animals and are catabolized through specific biochemical cascades involving numerous enzymes. The catabolites and metabolites in these metabolic pathways are crucial for many cellular functions; therefore, an imbalance and/or dysregulation of these pathways causes cellular dysfunction, resulting in various metabolic diseases. Bone, a highly mineralized organ that serves as a skeleton of the body, undergoes continuous active turnover, which is required for the maintenance of healthy bony components through the deposition and resorption of bone matrix and minerals. This highly coordinated event is regulated throughout life by bone cells such as osteoblasts, osteoclasts, and osteocytes, and requires synchronized activities from different metabolic pathways. Here, we aim to provide a comprehensive review of the cellular metabolism involved in bone development and homeostasis, as revealed by mouse genetic studies.     

Morpholine As a Scaffold in Medicinal Chemistry: An Update on Synthetic Strategies

Morpholine is a frequently used heterocycle in medicinal chemistry and a privileged structural component of bioactive molecules. This is mainly due to its contribution to a plethora of biological activities as well as to an improved pharmacokinetic profile of such bioactive molecules. The synthesis of morpholines is a subject of much study due to their biological and pharmacological importance, with the last such review being published in 2013. Here, an overview of the main approaches toward morpholine synthesis or functionalization is presented, emphasizing on novel work which has not been reviewed so far. This review is an update on synthetic strategies leading to easily accessible libraries of bioactives which are of interest for drug discovery projects.     

阿尔泰南缘北塔山组火山岩锆石U-Pb定年及地质意义

新疆阿尔泰南缘北塔山组火山岩较为发育。本文对新疆阿尔泰南缘默色克奥依一带北塔山组火山岩进行地球化学分析和年代学研究。研究表明：U-Pb锆石年龄为（384.3±4.0Ma）Ma，为中泥盆世；该组火山岩属于钾质钙碱性系列，全碱（Na2O+K2O=2.07%-6.49%）和YiO2（0.24%-0.64%）含量较低，K2O含量（1.11%-4.04%）变化较大，稀土元素含量（∑REE）较低。稀土元素显示其轻稀土富集且分馏不明显；δEu值均大于1，为Eu富集型；δCe值均小于1，为Ce亏损型。该组火山岩微量元素P明显富集，K、Rb、Ba等大离子亲石元素（LILE）略富集，亏损Ta、Zr、Hf、Ti等高场强元素（HISF）。结合前人研究，本文认为默色克奥依一带北塔山组火山岩形成于岛弧及与俯冲过程有关的活动大陆边缘造山带环境，为泥盆纪古大洋俯冲消减过程中，俯冲板片脱水产生的流体交代上覆地幔楔部分熔融的产物。     

高泉背斜地层压力测井多参数综合解释与异常高压成因

目前国内外地层压力测井解释方法较多,但大多数方法基于欠压实沉积理论并局限于单一的地层岩性,尤其是针对盆地边缘山前深层构造,单一测井参数确定地层压力误差较大,且无法解释沉积压实机制以外的异常高压。为此,将多种异常高压机制相关的测井参数进行综合解释,建立适合山前复杂构造的地层压力测井多参数计算模型,评价准噶尔盆地南缘高泉背斜高探1井的地层压力剖面,其计算结果与钻井实测数据吻合,相对误差小于3.00%.同时,基于原始沉积加载—卸载过程力学原理,利用地层压力测井多参数分析判别出高泉背斜深层各层系异常高压的形成机制。