Hygrometric Determination of Water Activities, Osmotic and Activity Coefficients, and Excess Gibbs Energy of the System MgSO4–K2SO4–H2O

Ternary aqueous solutions of MgSO₄ and K₂SO₄ have been studied by the hygrometric method at 25°C. The relative humidity of this system is measured at total molalities from 0.35 mol-kg^–1 to about saturation for three ionic-strength fractions (y = 0.25, 0.50, and 0.80 of MgSO₄. The data allow calculation of water activities and osmotic coefficients. From these measurements, the Pitzer ionic mixing parameters are determined and used to predict the solute activity coefficients in the mixture. The results are used to calculate the excess Gibbs energy at total molalities for ionic-strength fraction y.     

锂离子蓄电池正极材料LiFePO4研究进展

锂离子电池正极材料正在向着高比能量、长寿命、低成本、环境友好的方向发展,而具有橄榄石结构的LiFePO_4正极材料以其结构稳定、成本低、无污染等优点成为21世纪最理想的绿色电源,但自身也存在缺点。综述了锂离子电池正极材料LiFePO_4的研究进展。系统地阐述了LiFePO_4的晶体结构特征及性能、多种合成方法以及掺杂多种导电材料和控制晶体生长制备纳米粉体对材料性能的影响。对该材料的应用前景进行了展望,并提出了下一步可能的研究趋势。     

Crystal structure of KAsUO<Subscript>6</Subscript>·<Subscript>3</Subscript>H<Subscript>2</Subscript>O at 100 and 293 K

The crystal structure of KAsUO₆·3H₂O was solved at 100 K and 293 K. KAsUO₆·3H₂O at T = 100 K: tetragonal, P4/ncc, a = 7.2037(6) Å, c = 17.811(2) Å; Z = 4, R1 = 0.0263, wR2 = 0.0546, for 618 independent reflections; at T = 293 K: tetragonal, P4/ncc, a = 7.1600(4) Å, c = 17.746(1) Å; Z = 4, R1 = 0.0263, wR2 = 0.0433 for 427 independent reflections. The results of X-ray analysis are compared with our previous data on heat capacity of this compound, and changes that take place in the structure at elevated temperature are considered.     

Electronic structure and chemical bonding in K<Subscript>2</Subscript>V<Subscript>3</Subscript>O<Subscript>8</Subscript>

The calculations of the electronic structure of layered polyvanadate K₂V₃O₈ were made employing the spin-polarized tight-binding LMTO method. Calculated magnetic moment for K₄V₆O₁₆ compound phase equals 1.97 μ_B. V-O interactions were established to be dominating in the chemical bonding generation in this polyvanadate according to the estimated crystal orbital overlap population. The covalent bonds V(2)-V(2) in V(2)₂O₇ groups and electron density localization on vanadium atoms in isolated pyramids V(1)O₅ were found.     

Microwave-assisted reaction of peptide formation by amino acid with phosphate:Exploration of the most possible channels for the origin of life

The formation of peptides and then protein by small abiological molecules clusters such as amino acid is a key stage in the origin of life[1]. More and more ex- perimental results showed that phosphate plays an important role in the formation of biomolecules in prebiotic chemical evolution. The principal reservoirs of biochemical energy are phosphates (such as ATP). The peculiar role of phosphates in contemporary life might suggest its essential role in prebiotic energy conversion, syntheses …     

氟钽酸钾中碳存在形式的探讨

本文从氟钽酸钾（Ｋ２ＴａＦ６）的生产工艺论述了有机物存在于Ｄ２ＴａＦ６的可能性。通过Ｋ２ＴａＦ６低温通氧燃烧前后测定碳的结果比较，以及Ｘ射线能谱仪表面分析结果，证实了碳的来源是残留的有机萃取剂。     

不同结构的磷酸盐对凝胶体系中草酸钙晶体物相和相组成的影响

泌尿系结石的形成是一种病理性生物矿化过程，不同地区的结石发病率在3％～15％之间。且50％(美国)至80％(中国)的人会复发。结石中约70％以上为草酸钙(CaC2O4)结石。CaC2O4结石的形成与其热力学(过饱和度)和动力学(成核、生长和聚集)因素有关。由于结石患者尿液和正常人尿液中     

Long-range magnetic ordering of quasi-one-dimensional S=1/2 Heisenberg antiferromagnet Sr2Cu(PO4)2

Magnetic properties of quasi-one-dimensional S=1/2 Heisenberg antiferromagnet Sr₂Cu(PO₄)₂ were investigated by temperature and field dependence of AC susceptibility down to 0.03 K. A sharp peak was observed at on the temperature dependence of AC susceptibility indicating long-range magnetic ordering. Taking into account the exchange constant, (Hamiltonian =J∑S_iS_i+1), the ratio k_BT_N/J is 0.06%. Sr₂Cu(PO₄)₂ is, therefore, one of the best one-dimensional Heisenberg antiferromagnet known so far.     

Optimized POCl3-assisted synthesis of 2-amino-1,3,4-thiadiazole/1,3,4-oxadiazole derivatives as anti-influenza agents

Although recent decades have witnessed the synthesis of 1,3,4-thiadiazoles via phosphorus POCl₃-promoted cyclization reaction, simultaneous access to 2-amino-1,3,4-thiadiazole and 2-amino-1,3,4-oxadiazole analogs remains unexpected and elusive. Herein, a detailed regiocontrolled synthesis of 2-amino-1,3,4-thiadiazoles in good to high yields with good regioselectivities from readily available thiosemicarbazides using POCl₃ was disclosed. Meantime, to establish a comprehensive structure–activity relationship, 2-amino-1,3,4-oxadiazole derivatives as single regioisomers were prepared via EDCI·HCl-triggered cyclization of the thiosemicarbazide intermediates. The in vitro anti-influenza assays proved that the selected compounds with the pyrazine/pyridine ring exhibited certain inhibitory activities against influenza A virus strains A/HK/68 (H3N2) and A/PR/8/34 (H1N1) in MDCK cells. Among them, N-(adamantan-1-yl)-5-(5-(azepan-1-yl)pyrazin-2-yl)-1,3,4-thiadiazol-2-amine (4j) was the most active compound, and exhibited favorable activity with EC₅₀ values of 3.5 μM and 7.5 μM, respectively. In addition, the molecular docking results explained the reason why compound 4j had dual inhibitory activity and revealed the reasonable binding mode of this compound with the M2-S31N and M2-WT ion channels. This compound had the potential to be further developed as an anti-influenza drug.     

Chemiluminescence Method for the Determination of Glutathione in Human Serum Using the Ru(phen)3 2+ – KMnO4 System

A simple, rapid and specific chemiluminescence (CL) method for the determination of glutathione has been developed. The method is based on the enhanced CL of the reaction between Ru(phen)₃ ²⁺ (phen = 1,10-phenanthroline) and KMnO₄ by glutathione in HCl medium. Under the optimum conditions, the response is linearly proportional to the concentration of glutathione between 1.5 × 10⁻⁷ and 1.0 × 10⁻⁵ mol L⁻¹. The dection limit for glutathione (5.8 × 10⁻⁸ mol L⁻¹) is about 10 and 200 times better than those of the spectrophotometric method using Ellman regent and the Lucigenin – CL method, respectively. The final procedure allows the determination of glutathione in human serum with recoveries of 92%–108%. A satisfactory agreement was obtained with a mean relative difference of 2.5% compared to the HPLC method.