托卡马克中局域磁扰动引起的高能量离子损失研究

基于单粒子导心运动代码ORBIT，采用测试粒子模拟方法，研究了托卡马克等离子体内部不同径向位置处局域磁场扰动对高能量离子的损失的影响。研究表明，在局域磁扰动主要分布在某磁面附近、其环向具有类似纹波场形式下，可造成一些靠近等离子体中心区域的高能量离子损失，但对靠近等离子边界的离子损失影响相对不大。这些损失的高能量离子均为捕获离子，离子的投掷角越大就越容易损失。此外，造成高能量离子最大损失率的局域场径向位置与这些损失离子的初始径向位置通常存在一定的偏移，而且这个偏移与这些离子的能量密切相关。当局域场出现在某些位置时，能量较低的离子会有一定的损失，能量较高的离子反而不会损失。     

Ab initio and Monte Carlo studies of phase transitions and magnetic properties of YCrO3: Heisenberg model

By using the density functional theory (DFT) and Monte Carlo simulations (MCS) with the Heisenberg model, we have studied magnetic properties of the bulk perovskite YCrO₃. The exchange couplings of the Heisenberg model and the magnetic anisotropy are investigated. The 110 direction in the crystalline structure of the compound has shown the minimum energy, it is the easy magnetic direction. Using Monte Carlo simulations, the magnetizations behavior, the effects of system parameters and the critical exponents of the compound YCrO₃ are implemented. It is shown that the bulk perovskite YCrO₃ belongs to the 3D Heisenberg universality class.     

磷酸化调控泛素单体与Rad23A/Ubiquilin-1中泛素结合域互作的检测

泛素（ubiquitin，Ub）是一种广泛存在、高度保守的信号蛋白质，它能够特异性识别成千上万种靶蛋白，以非共价方式行使不同的功能，其中包含蛋白质降解．Ubiquilin-1（Ubql-1）和Rad23A作为两种蛋白降解的转运因子，都包含有与泛素结合的结构域，被称为泛素结合域（ubiquitin-associated domain，UBA）．2014年，泛素S65位磷酸化修饰的特异性激酶PINK1被发现，磷酸化使泛素在溶液中呈现舒展态与收缩态两种互相转换的构象．本文通过核磁共振（nuclear magnetic resonance，NMR）技术对UBA和磷酸化泛素之间的相互作用进行检测，观测磷酸化对UBA和泛素结合的影响．实验结果表明Rad23A-UBA2与Ubql-1 UBA都特异性的与磷酸化泛素的舒展态相互作用，但是磷酸化未改变泛素与UBA之间的亲和力．值得注意的是与Ubql-1 UBA相互作用时，磷酸化促进了泛素收缩态向舒展态的转换．     

基于回波平移序列的快速三维磁共振温度成像方法

高强度聚焦超声（HIFU）是一种无创的热消融疗法，为保证其安全性和有效性，需要一种精度高、速度快的测温方法在其治疗过程中对温度进行监控.基于质子共振频率位移（PRFS）的磁共振温度成像（MRT）对温度具有较高的灵敏度，且与温度具有良好的线性关系，因此常被用于引导HIFU治疗.然而在实际应用中，HIFU治疗的最大隐患在于可能造成表皮灼伤，并且灼伤区域可能与焦点区域相隔较远.因此MRT的监控范围十分重要.本文基于三维回波平移成像序列，结合可控混叠的空间并行成像技术，实现了时间分辨率为3 s的快速三维温度成像.为了验证该方法的精度，本文首先设计了仿体降温实验，利用光纤温度计验证回波平移序列测温的准确度和精确度.然后在室温条件下扫描离体猪肉组织，对比加速前后的MRT的测温精确度.在HIFU加热条件下扫描离体猪肉组织，对比加速前后的MRT的测温准确度.结果显示，本文提出的方法可以在3 s内完成三维温度精准测量，对于HIFU治疗的安全监控具有重要意义.     

Novel thionin-functionalised core shell magnetic nanoparticles for dispersive solid-phase extraction of Hg(II) in food and water samples

To develop an accurate and precise method for separation and pre-concentration of Hg(II), a novel thionin functionalised core shell structure magnetic material has been prepared and characterised. The extraction ability of the material was evaluated by magnetic solid-phase extraction coupled with inductively coupled plasma mass spectrometry determination of Hg(II) in food and water samples. Combining the advantages of magnetic separation with selective extraction of thionin towards Hg(II), the material exhibits enhanced enrich selectivity and efficiency for Hg(II). The experimental parameters influencing Hg(II) extraction efficiency, including pH of the aqueous solution, the dosage of the adsorbent, extraction time and sample volume, were systematically investigated. Under the optimised conditions, concentration of Hg(II) at 1.0 μg L^?1 can be successfully enriched by the material without the interference of the common co-existing ions. The enrichment factor and adsorption capacity were 250 and 75.2 mg g^?1, and precise of the method was confirmed by analysing the spiked food, water samples and standard water reference samples with the recoveries of 92.5–101.8%.     

Synthesis of Novel Triazole Incorporated Thiazolone Motifs Having Promising Antityrosinase Activity through Green Nanocatalyst CuI-Fe3O4@SiO2 (TMS-EDTA)

In the present work, novel 5-((1-benzyl-1,2,3-triazol-4-yl)methoxybenzylidene)-2-(arylamino)thiazol-4-one thiazolone incorporated triazole derivatives have been designed as tyrosinase inhibitors. The compounds were synthesized through click reaction in good yield. Moreover, the antityrosinas activity of the synthesized derivatives was evaluated. In the search for establishing a click copper-catalyzed azide/alkyne cycloaddition (CuAAC) reaction under strict conditions, in terms of a novel air-stable, a recyclable and efficient magnetic catalyst was planned for new triazole derivatives as a well-organized copper iodide supported on the functionalized Fe₃O₄@SiO₂ core-shell (CuI/Fe₃O₄@SiO₂(TMS-EDTA) nanoparticles). The engineered nanocatalyst synthesized for the first time and characterized by different methods, including FT-IR spectroscopy, XRD, FESEM, EDX, TEM, TGA, and BET analysis. The excellent catalytic performance in ethanol with high surface area (351.7 m²g⁻¹) and short reaction time for diverse functional groups (120–200 min), no use of toxic solvents, reusability of the catalyst, and using eco-friendly conditions are the advantageous of this work. Moreover,the nanocatalyst can be used at least five times without any significant decrease in the yield of the reaction. The thiazolidine-triazole derivatives 9a , 9c , 9e , and 9 g showed promising tyrosinase inhibitory activity with IC₅₀ values in the range of 5.90–9.81 μM. The compounds were found to be considerably more potent tyrosinase inhibitors than the reference inhibitor kojic acid (IC₅₀ = 18.36 μM).     

常压下玉米秸秆液化工艺的优化及其生物油分析

随着化石能源的日益短缺，可再生木质生物质资源的利用越来越受到重视，常压液化技术是生物质资源高效利用的主要方式之一。利用单因素方法，探讨液化温度、复配液化剂二甘醇（DEG）与1,2-丙二醇（PG）的混合比、液固比、催化剂磷酸的用量、反应时间等因素对玉米秸秆液化得率的影响，以便优化其液化工艺；然后采用热重分析仪（TGA）、气相色谱-质谱技术（GC-MS）和核磁共振（NMR）技术对此优化条件下所得生物油的挥发降解特性和主要组成成分进行了检测探讨。分析表明，玉米秸秆液化时优化工艺参数为：液化温度170 ℃，液化剂DEG与PG混合比1∶2，液固比5∶1，H₃PO₄用量10%，反应时间45 min；此时玉米秸秆液化得率高至99.50%。TGA结果表明，此条件下所得生物油含有80%以上碳数小于25的化合物，热解后最终残炭量约为15%。GC-MS表明，可以检测出此生物油中含有的39种有机物，其中，醇类有机物的含量最多，酚类有机物的含量次之，它们相对含量依次是70.70%和25.63%，其还含有一定量的有机酸（2.80%）、醚类（0.64%）、酯类（0.10%）和酮类（0.13%）等有机物；其组分十分复杂，高含氧量，稳定性较差。1H-和13C-NMR分析表明，不同化学位移δ与生物油中不同类型的质子和碳原子相对应，明确生物油中不同类型H和C的分布，有利于对其分子结构进行深入探讨。这些研究为非木材生物质高效液化条件的选择及液化产物制备化学品和生物燃油给予理论基础与应用支持，促进了生物质资源的有效转化利用及其生物质基产品的开发。