Toxic Effect of Fullerene and Its Derivatives upon the Transmembrane β2-Adrenergic Receptors

Numerous experiments have revealed that fullerene (C₆₀) and its derivatives can bind to proteins and affect their biological functions. In this study, we explored the interaction between fullerine and the β₂-adrenergic receptor (β₂AR). The MD simulation results show that fullerene binds with the extracellular loop 2 (ECL2) and intracellular loop 2 (ICL2) of β₂AR through hydrophobic interactions and π–π stacking interactions. In the C₆₀_in1 trajectory, due to the π–π stacking interactions of fullerene molecules with PHE and PRO residues on ICL2, ICL2 completely flipped towards the fullerene direction and the fullerene moved slowly into the lipid membrane. When five fullerene molecules were placed on the extracellular side, they preferred to stack into a stable fullerene cluster (a deformed tetrahedral aggregate), and had almost no effect on the structure of β₂AR. The hydroxyl groups of fullerene derivatives (C₆₀(OH)_X, X represents the number of hydroxyl groups, X = 4, 8) can form strong hydrogen bonds with the ECL2, helix6, and helix7 of β₂AR. The hydroxyl groups firmly grasp the β₂AR receptor like several claws, blocking the binding entry of ligands. The simulation results show that fullerene and fullerene derivatives may have a significant effect on the local structure of β₂AR, especially the distortion of helix4, but bring about no great changes within the overall structure. It was found that C₆₀ did not compete with ligands for binding sites, but blocked the ligands’ entry into the pocket channel. All the above observations suggest that fullerene and its derivatives exhibit certain cytotoxicity.     

Computational fluid dynamic-discrete element method coupling analysis of particle transport in branched networks

An understanding of the particle transport characteristics in a branched network helps to predict the particle distribution and prevent undesired plugging in various engineering systems.Quantitative analysis of particle flow characteristics is challenging in that experiments are expensive and particle flow is difficult to detect without disturbing the flow.To overcome this difficulty,man-made fractal tree-like branched networks were built,and a coupled computational fluid dynamic and discrete element method model was applied.A series of numerical simulations was carried out to analyze the influence of fractal structure parameters of networks on the particle flow characteristics.The joint influence of inertial,shunt capacity and superposition from upstream branches on particle flow was investigated.The injection position at the inlet determined the particle velocity and its future flow path.The particle density ratio,particle size and bifurcation angle had a greater influence on the shunting of K2 branches than that in the K1 level and N_k22/N_k21 reached a maximum at 60°.Compared with a network with an even number of branches,there was a preferential branch when the branch number was odd.The preferential branch effect or asymmetry degree of the level(K2)branches had a more significant impact on particle shunting than that from the upstream branches(K1).     

20GHz注入锁模光纤激光器实验

稳定、波长可调谐的窄脉冲光源是未来光时分复用/波分复用光纤通信系统的重要组成部分。报道了一个20GHz的注入锁模光纤激光器的实验。利用一个10GHz的导体体激光器作为光源，最终得到了波长可调谐的重复频率为20GHz、脉冲宽度为12.4ps的光脉冲，波长的调谐范围为16nm。     

高效凹面聚光集热海水蒸馏淡化及供暖混合装置

在便携的高效凹面聚光集热装置基础上,通过综合利用所获得的太阳热辐射能实现海水淡化蒸馏、温差发电以及温箱供暖,从而达到太阳能高效综合利用的目的.为岛礁等特殊环境下的海水淡化与供暖需求提供一种途径.     

辉光等离子体辅助化学气相沉积低温合成金刚石薄膜的研究

采用辉光放电等离子体增强化学气相沉积 (GP CVD)技术在低温条件下合成了高品质的亚微米金刚石薄膜 ,并通过对合成过程的实时发射光谱诊断确定了 [CH4 H2 ]系统参与金刚石合成反应的主要荷能粒子。对合成过程的研究表明 :采用这种技术能使电子增强热丝化学气相沉积 (EACVD)合成高品质金刚石薄膜的温度从 85 0℃降至 (340± 5 )℃ ;薄膜低温合成中的主要荷能粒子为CH3 、CH ,CH+ 、H 等 ,其中过饱和原子氢保证了高品质金刚石薄膜的合成 ;根据光诊断和探针测量的结果推断近表面辉光放电可在基片表面形成电偶极层 ,该偶极层是进行超常态反应的必要环境 ,并在低温合成中起重要作用     

低聚壳聚糖几何结构和物理化学属性的理论研究

运用密度泛函B3LYP/6-31G+(d)方法对gg构象的低聚壳聚糖进行了结构优化、频率计算和电子结构,并用更高精度的WB97XD/6-311+G(d,p)方法计算了平均结合能及零点能校正,分析了热力学性质.结果表明,由于低聚壳聚糖中的氢键作用,使其形成螺旋结构;聚合度的增加,使平均结合能随之下降,结构的稳定性增强;在降解过程中,均为放热反应,验证了利用降温来提高降解产率的实验的可行性;此外,聚合度的增加,使能隙减小且快速收敛于聚合度为7的6.99 eV,稳定的反应活性与实验相符;HOMO、LUMO的电子密度分布表明,化学活性集中在C2位的氨基、C6位的羟基以及链的两端位置.该结果对低聚壳聚糖模型的建立和低聚壳聚糖降解过程、活性位置以及物理化学属性的尺寸依赖等现象的研究有着指导意义.     

C波段加速器初步热测实验

为了开展加速器小型化技术研究,进行了C波段2 MeV驻波加速器研制工作。目前,该加速器研制取得了显著进展,完成了全密封加速管的焊接,建立了加速器热测实验平台。在重复频率50 Hz情况下,进行了初步热测出束实验,利用电离室剂量仪测试了加速器靶前1 m处的X射线剂量率,并利用钢吸收法测试了电子束的能量。初步实验结果表明:电子束能量约2.5 MeV,剂量率超过330 mGy/(minm)。     

Preparation of CdO nanoparticles by mechanochemical reaction

CdO nanoparticles of 43 nm in crystal size were successfully synthesized by the mechanochemical reaction (CdCl₂ + Na₂CO₃) with NaCl as a diluent and subsequent thermal treatment at 700°C for 2 h. The samples were characterized by differential thermal analysis (DTA), thermogravimetric analysis (TGA), X-ray diffraction (XRD) and transmission electron microscopy (TEM). Effect of calcination temperature on the crystal size of CdO nanoparticles was primarily investigated. The apparent activation energy of CdO nanoparticle formation during thermal treatment was calculated to be 12.2 kJ/mol.     

非等电子Sb替换Cu和Te后黄铜矿结构半导体Cu_3Ga_5Te_9的热电性能

热电材料是一类能够实现热与电相互转换的功能材料,在制冷和发电领域极具应用潜力.本文采用金属Sb元素非等电子替换Cu3Ga5Te9化学式中的Cu和Te,观察到材料Seebeck系数和电导率提升的现象.这些电学性能的改善与载流子浓度和有效质量的增大及迁移率基本维持不变有关.载流子浓度的提高是由于Sb原子占位在Te晶格位置后费米能级进入到价带所产生的空穴掺杂效应所致,同时也与Cu含量减少后铜空位(V-1Cu)浓度增大相关联.另外,非等电子替换后,阴离子(Te2-)移位导致了晶格结构缺陷参数u和η的改变,其改变量fiu和fiη与材料晶格热导率(κL)的变化密切相关.在766 K时,适量的Sb替换量使材料的最大热电优值(ZT)达到0.6,比Cu3Ga5Te9提高了近25%.因此,通过选择替换元素、被替换元素及替换量有效地调控了材料的电学及热学性能,在黄铜矿结构半导体中实现了非等电子元素替换改善热电性能的思想.     

磁性量子元胞自动机功能阵列的实验研究

采用电子束光刻、热蒸镀和剥离工艺在室温下制备了多组磁性量子元胞自动机器件功能阵列. 实验研究了曝光剂量和曝光时间对三个不同间距参数磁性量子元胞自动机阵列图案的影响, 发现100 pA电子束束流和0.38 μs曝光时间可获得理想的阵列图案. 对制备的反相器阵列结构进行了磁力显微测试, 结果显示了正确的逻辑功能, 成功实现了不同间距参数功能阵列的实验制备. 此外, 实验还发现纳磁体阵列制备中容易出现缺陷, 模拟结果表明丢失纳磁体缺陷导致了信号传递反相.