内蒙古牧区蒙、汉族人发铜、锌、铁、锶及钙的X-射线荧光光谱法测定

用X-射线荧光光谱法，测定了387例内蒙古牧区蒙古族、汉族成人和儿童的发中铜(Cu)、锌(Zn)、铁(Fe)、锶(St)及钙(Ca)的含量，对同一地区蒙、汉族成人间，成人及儿童间发中五种元素含量进行了比较分析。结果表明：蒙汉族成人发中Cu，Zn、Fe含量不受种族及饮食习惯的影响，其含量无显著性差异；蒙汉族成人发中Sr和Ca含量存在着相平行的显著差异；牧区儿童发Zn含量与牧区成人发Zn含量差异无显著性意义，提示牧区儿童不缺Zn，可能与多动物性食物有关；牧区儿童发中Cu、Fe、Sr、Ca均显著低于牧区成人、可能与儿童发育旺盛和Zn摄入量高对Cu、Fe吸收发生抑制有关。     

G-Protein-Coupled Receptor–Membrane Interactions Depend on the Receptor Activation State

G-protein-coupled receptors (GPCRs) are the largest family of human membrane proteins and serve as primary targets of approximately one-third of currently marketed drugs. In particular, adenosine A₁ receptor (A₁AR) is an important therapeutic target for treating cardiac ischemia–reperfusion injuries, neuropathic pain, and renal diseases. As a prototypical GPCR, the A₁AR is located within a phospholipid membrane bilayer and transmits cellular signals by changing between different conformational states. It is important to elucidate the lipid–protein interactions in order to understand the functional mechanism of GPCRs. Here, all-atom simulations using a robust Gaussian accelerated molecular dynamics (GaMD) method were performed on both the inactive (antagonist bound) and active (agonist and G-protein bound) A₁AR, which was embedded in a 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC) lipid bilayer. In the GaMD simulations, the membrane lipids played a key role in stabilizing different conformational states of the A₁AR. Our simulations further identified important regions of the receptor that interacted distinctly with the lipids in highly correlated manner. Activation of the A₁AR led to differential dynamics in the upper and lower leaflets of the lipid bilayer. In summary, GaMD enhanced simulations have revealed strongly coupled dynamics of the GPCR and lipids that depend on the receptor activation state. © 2019 Wiley Periodicals, Inc.     

Fast and Selective Semihydrogenation of Alkynes by Palladium Nanoparticles Sandwiched in Metal–Organic Frameworks

The semihydrogenation of alkynes into alkenes rather than alkanes is of great importance in the chemical industry. Unfortunately, state-of-the-art heterogeneous catalysts hardly achieve high turnover frequencies (TOFs) simultaneously with almost full conversion, excellent selectivity, and good stability. Here, we used metal–organic frameworks (MOFs) containing Zr metal nodes (“UiO”) with tunable wettability and electron-withdrawing ability as activity accelerators for the semihydrogenation of alkynes catalyzed by sandwiched palladium nanoparticles (Pd NPs). Impressively, the porous hydrophobic UiO support not only leads to an enrichment of phenylacetylene around the Pd NPs but also renders the Pd surfaces more electron-deficient, which leads to a remarkable catalysis performance, including an exceptionally high TOF of 13835 h⁻¹, 100 % phenylacetylene conversion 93.1 % selectivity towards styrene, and no activity decay after successive catalytic cycles. The strategy of using molecularly tailored supports is universal for boosting the selective semihydrogenation of various terminal and internal alkynes.     

Effect of aluminum co-doping on the formation of Yb2+ in Ytterbium-doped high silica glass

Yb3+ singly doped and Yb3+/Al3+ co-doped high silica glass samples are prepared,and their luminescent properties are investigated.Al3+ is considered as a beneficial activator for Yb3+-doped glass.However,the experimental result shows that the addition of Al3+ results in the transformation from Yb3+ to Yb2+ and the improvement in the photon luminescence of Yb2+.These characteristics indicate the role of Al3+ in Yb3+-doped glass.     

激光脉冲波形对烧蚀Si靶表面温度的影响

利用双温方程对激光烧蚀Si靶的过程进行了数值模拟,并结合合适的初始条件和边界条件,研究了在飞秒、皮秒激光作用下,脉冲波形(矩形、梯形、三角形和高斯形)对Si靶表面载流子和晶格温度分布的影响。结果表明:激光功率密度是影响载流子温升的主要因素,矩形脉冲激光烧蚀Si靶表面载流子的峰值温度最高,而高斯分布的脉冲引起靶面载流子峰值温度最低。可见,激光脉冲波形对Si靶表面载流子的温度分布具有重要影响。所得结果可为制备高质量的薄膜提供理论依据。     

Regulation of Enterococcus faecalis Biofilm Formation and Quorum Sensing Related Virulence Factors with Ultra-low Dose Reactive Species Produced by Plasma Activated Water

Plasma Chemistry and Plasma Processing - Enterococcus faecalis (E. faecalis) is the species which can cause life-threatening infections in human beings and exhibit highly antibacterial resistance...     

Design and Synthesis of Novel Betulin Derivatives Containing Thio-/Semicarbazone Moieties as Apoptotic Inducers through Mitochindria-Related Pathways

Two new series of betulin derivatives with semicarbazone (7a–g) or thiosemicarbazone (8a–g) groups at the C-28 position were synthesized. All compounds were evaluated for their in vitro cytotoxicities in human hepatocellular carcinoma cells (HepG2), human breast carcinoma cells (MCF-7), human lung carcinoma cells (A549), human colorectal cells (HCT-116) and normal human gastric epithelial cells (GES-1). Among these compounds, 8f displayed the most potent cytotoxicity with an IC₅₀ value of 5.86 ± 0.61 μM against MCF-7 cells. Furthermore, the preliminary mechanism studies in MCF-7 cells showed that compound 8f could trigger the intracellular mitochondrial-mediated apoptosis pathway by losing MMP level, which was related with the upregulation of Bax, P53 and cytochrome c expression; the downregulation of Bcl-2 expression; activation of the expression levels of caspase-3, caspase-9, cleaved caspase-3 and cleaved caspase-9; and an increase in the amounts of intracellular reactive oxygen species. These results indicated that compound 8f may be used as a valuable skeleton structure for developing novel antitumor agents.     

不同水温下的中子输运等效质量热运动模型

为了解决蒙特卡罗模拟S(, )模型只能求解特定温度条件下中子输运问题的局限性,建立了中子在不同温度液态水中输运的等效质量热运动模型。在分析自由气体热运动模型的基础上,采用不同的等效质量对中子与水中氢原子的弹性散射模拟过程进行改进,对中子穿过水层后的流量进行模拟计算,通过与S(, )模型的计算结果的比较,得到了5个不同的温度点水中氢原子的最佳等效质量。根据5个不同温度点的数据拟合给出了最佳等效质量和温度的函数关系。采用该模型计算得到的中子在不同温度条件下水中输运参数与S(, )模型相符。等效质量热运动模型突破了S(, )模型只能计算有限温度点的局限性,能有效处理300～800 K任意温度水中的中子输运问题。     

新型固体电解质La2Mo2O9的制备及其性能

用固相法制备了新型固体电解质La2Mo2O9, 用热膨胀仪、 X射线衍射仪和Raman光谱分析了La2Mo2O9相的形成过程. 用交流阻抗谱和热膨胀仪对合成样品的电学和热学性能进行了研究, 分析了热处理温度对La2Mo2O9相的形成过程和电学性能的影响, 确定了样品获得高电学性能的最佳条件. 研究结果表明: 600 ℃时样品中开始形成La2Mo2O9相, 700 ℃以上烧结的样品可获得具有完整氧空位的La2Mo2O9相. 900 ℃烧结10 h可获得具有高密度和高电导率的La2Mo2O9氧离子导体. 样品的电学性能随烧结温度的升高而增大, 900 ℃时烧结的样品在800 ℃时的电导率为0.067 S·cm-1, 远高于同温度下YSZ的电导率, 与晶粒电阻相比, 晶界电阻非常小. 用热膨胀仪测得La2Mo2O9在555 ℃时有一个一级相变, 对应α-La2Mo2O9到β-La2Mo2O9的相变.     

外包壳对具有氧化孔径层的圆柱形VCSEL阈值增益的影响

采用矢量场模型，对具有诱人应用前景的圆柱形垂直腔面发射半导体激光器（VCSEL）的模式阈值增益进行了数值模拟；为减弱金属圆柱的反射以使理论计算更接近实际，采用两种方案，将外加金属包壳视为非理想导体，或在此基础上，将金属包壳与激光器主体结构隔开. 从模式的阈值增益与顶Bragg反射镜层周期数的关系方面，与理想金属外包壳情况进行了比较. 结果表明，高阶贝塞耳函数模式的阈值增益变化规律基本相同，而0阶贝塞耳函数模式的阈值增益变化规律相差较大.