离子的胶体状态与其电化学储能极限

阳离子氧化还原化学是电化学储能技术中最核心的储能机理,如何高效快速利用氧化还原活性阳离子是发展兼具高功率密度与高能量密度储电技术的关键。 处于胶体状态的阳离子可形成热力学平衡态和非平衡态,具有高反应活性和低离子迁移势垒,展现出独特的电化学特性。 本文着重介绍氧化还原活性阳离子的胶体状态与其在电化学储能上的应用,并从热力学和动力学方面阐述其储能机理,以及活性胶体离子电极和超级电容电池的构筑。 利用胶体的高比表面积、高离子吸附能力和荷电离子梯度分布等特性,创造性地构筑胶体超级电容电池,解决了现有电化学储能电极材料体系中高容量与高功率不能兼具的问题,同时开拓了胶体体系新的应用方向。     

基于计算机模拟技术对JAK2抑制剂的定量构效关系、分子设计和分子动力学研究

本文选取了52个对Janus激酶2(JAK2)有抑制作用的小分子化合物,分别使用3D-QSAR中的CoMFA和CoMSIA方法构建了两个可靠的、具有预测能力的模型,并利用分子对接分析数据集化合物与JAK2蛋白的相互作用,表明化合物主要通过氢键和范德华作用与JAK2靶蛋白结合。根据3D-QSAR模型的分析结果,设计了40个化合物,利用构建的模型预测其抑制活性;使用软件预测了化合物的药代动力学(ADME)参数,开展分子对接模拟,最终选择化合物D01和D22与JAK2靶蛋白进行了分子动力学模拟研究,结果显示两个复合物结合构象稳定,与分子对接结果趋势一致。本研究的结果可以为JAK2抑制剂的研发提供一些新的思路,为临床开发此类药物提供理论支撑。     

Ferroptosis-Inhibitory Effect and Possible Mechanisms of Ellagitannin Geraniin

The search for safe and effective ferroptosis-inhibitors has become an important topic. Geraniin, an ellagitannin bearing hexahydroxydiphenoyl (HHDP) and dehydrohexahydroxydiphenoyl (DHHDP) groups, was observed to inhibit erastin-induced ferroptosis in bone marrow-derived mesenchymal stem cells (bmMSCs). To determine the mechanism, geraniin was further analyzed using UV-vis spectra and several colorimetric assays, where its IC₅₀ values were always much lower than that of the Trolox positive control. When interacted with several free radicals, geraniin gave no radical adduct formation (RAF) peak in the ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry. In conclusion, geraniin exhibits ferroptosis-inhibitory potential towards erastin-treated bmMSCs; such potential may mainly stem from its strong lipid peroxidation (LPO)-inhibition, Fe²⁺-chelating, and antioxidant actions. Geraniin gives neither dimer nor radical adduct, owing to the bulky HHDP (or DHHDP) group; thus, it is considered as a safe and effective ferroptosis-inhibitor.     

醇类燃料汽车主要非常规排放物的分离测定

本文通过对醇类燃料汽车主要非常规排放物甲醛、乙醛、甲醇、乙醇、1,3丁二烯及苯的分离温度进行计算机最优化模拟预测,得到了它们的最佳色谱分离温度,并用氢火焰离子化检测器(FID)获得这些物质的最低检测限为5×10-6(体积分数),基本上满足了对醇类燃料发动机非常规排放物的一般检测要求。本法无需对排放尾气进行任何前期处理,直接采样分析,简单、快速,为在不同催化条件下进一步研究主要非常规排放物和颗粒物的脱除奠定了基础。1实验部分1.1仪器和试剂HP6890气相色谱仪(惠普公司);FFAP色谱柱(25m×0.25mmi.d.,0.20μm,极性色谱柱);FID…     

魔芋精粉与黄原胶协同相互作用及其凝胶化的研究

魔芋精粉与黄原胶均为非凝胶多糖,但二者共混可以得到凝胶．当魔芋精粉与黄原胶的共混比例为３０／７０、多糖总浓度为１％,可达到协同相互作用的最大值．同时也讨论了制备温度（Ｔｐ）和体系盐离子浓度对凝胶化的影响,并从其ＦＴＩＲ谱图上分析了这两种多糖分子间相互作用的机理．     

月球样品的中子活化分析技术研究

月球的起源是月球研究的核心问题。月球探测任务返回的数据和样品极大地提高了人类对地月系统的认知,同时也发现了更多未解之谜,亟待未来的探测任务和科学研究来解答。嫦娥五号月壤是我国首次地外天体采集返回的样品,也是继美国和苏联探月采样任务45年后人类再次获得的月球样品。鉴于月球样品的珍贵性和特殊性,利用先进技术开展其全元素含量的非破坏精准分析对于认识月球演化和月球资源就地开发利用具有重要的意义。依托大型核反应研究堆和加速器中子注量率优势,利用中子活化分析技术可实现月球样品中的全元素非破坏分析：1)仪器中子活化分析技术(INAA)可测量Na—U元素之间的60余种元素;2)瞬发γ中子活化分析技术(PGNAA)可补充测量INAA不适合测量的元素如H、B、C、N等;3)中子深度剖面分析技术(NDP)可测量样品近表面(微米级)聚变能源³He的浓度深度分布;4)缓发中子测量技术(DNC)可定量样品中痕量裂变核素如²³⁵U和²³⁹Pu,并结合INAA可测量²³⁸U/²³⁵U同位素比值;5)14 Me...     

4‐Phosphatephenyl Covalently Modified Glassy Carbon Electrode for Real‐Time Electrochemical Monitoring of Paracetamol Release from Electrospun Nanofibers

A glassy carbon electrode (GCE) was covalently modified by 4‐phosphatephenyl (4‐PP). Sensing paracetamol (PCT) via linear sweep voltammetry in sulfuric buffer solution of pH 1.02 at 36.8 °C, the 4‐PP‐modified GCE showed high electrochemical sensitivity and long reusability. PCT‐loaded poly(vinyl alcohol) (PVA) nanofibers were prepared by electrospinning. Based on the calibration curve of PCT on the 4‐PP‐modified GCE, the PCT release process from the nanofibers was electrochemically monitored in real time via two routes. The results showed that the covalently modified GCE can be repeatedly used as real‐time electrochemical monitoring platform for drug release from drug‐loaded nanofibers in the long term.     

Vortex and droplet in holographic D-wave superconductors

We investigate non-trivial localized solutions of the condensate in a (2+1$2+1$)-dimensional D-wave holographic superconductor model in the presence of a background magnetic field. The calculation is done in the context of the (3+1$3+1$)-dimensional dual gravity theory of a charged massive spin-2 field in an AdS black hole background. By using numeric techniques, we find both vortex and droplet solutions. These solutions are important for studying the full phase diagram of D-wave superconductors.     

Efficient adsorption and photocatalytic degradation of Congo red onto hydrothermally synthesized NiS nanoparticles

The influence of the length of the cation alkyl chain on the dispersibility by ultrasonic treatment of TiO₂ nanopowders in hydrophilic imidazolium-based room temperature ionic liquids was studied for the first time by dynamic light scattering and advanced rheology. TiO₂ nanopowders had been synthesized by chemical vapor synthesis (CVS) under varied conditions leading to two different materials. A commercial nanopowder had been used for comparison. Characterizations had been done using transmission electron microscopy, X-ray diffraction, nitrogen adsorption with BET analysis, and FT-IR spectroscopy. Primary particle sizes were about 6 and 8 nm for the CVS-based and 26 nm for the commercial materials. The particle size distribution in the dispersion was strongly influenced by the length of the cation alkyl chain for all the investigated powders with different structural characteristics and concentrations in the dispersion. It was found that an increase of the alkyl chain length was beneficial, leading to a narrowing of the particle size distribution and a decrease of the agglomerate size in dispersion. The smallest average nanoparticle sizes in dispersion were around 30 nm. Additionally, the surface functionality of the nanoparticles, the concentration of the solid material in the liquid, and the period of ultrasonic treatment control the dispersion quality, especially in the case of the ionic liquids with the shorter alkyl chain. The influence of the nanopowders characteristics on their dispersibility decreases considerably with increasing cation alkyl chain length. The results indicate that ionic liquids with adapted structure are candidates as absorber media for nanoparticles synthesized in gas phase processes to obtain liquid dispersions directly without redispergation.     

The palladium-catalyzed cross-coupling reactions of trifluoroethyl iodide with aryl and heteroaryl boronic acid esters

The cross-coupling reactions of 1,1,1-trifluoro-2-iodoethane with aryl and heteroaryl boronic acid esters have been successfully achieved. The new protocol allows for a convenient introduction of trifluoroethyl groups into a variety of aryl and heteroaryl moieties under mild conditions.