剥离-共组装法制备葫芦素插层类水滑石纳米杂化物

采用剥离-共组装法制备了电中性疏水药物葫芦素(CA)插层类水滑石(HTlc)纳米杂化物. 先用胆酸钠(Ch)包覆修饰葫芦素, 再与剥离的HTlc薄片共组装, 形成CA-Ch-HTlc纳米杂化物. 采用小角X射线散射、 傅里叶变换红外吸收光谱、 透射和扫描电子显微镜、 Zeta电位和元素分析等技术对样品进行了表征. 所制备纳米杂化物的载药量达到7.06%, 表明该方法可以实现电中性疏水药物在HTlc上的有效负载. 依据胆酸离子和葫芦素尺寸及纳米杂化物通道高度推测, 胆酸离子在HTlc层间为双层排列, 其长轴几乎垂直于HTlc层板; 葫芦素分子插入(或“溶入”)胆酸离子双层中. CA-Ch-HTlc纳米杂化物具有良好的药物缓释效果, 其药物释放过程符合准二级动力学方程.     

Synthesis,structural characterization,and thermochemistry of complexes of pyridine 2,6-dicarboxylate with metals (Mg and Sr)

Two novel complexes [Mg(DPC)(H₂O)₃]·2H₂O(s) and Sr₂(H₂DPC)₂(HDPC)₂(DPC)(H₂O)₂(s) were synthesized by the method of liquid phase reflux. X-ray crystallography, chemical analysis, and elemental analysis were applied to characterize the structures and compositions of the two complexes. Low-temperature heat capacities of the complexes were measured over the temperature ranges from 78 to 350 and 78 to 352 K for [Mg(DPC)(H₂O)₃]·2H₂O(s) and Sr₂(H₂DPC)₂(HDPC)₂(DPC)(H₂O)₂(s), respectively. The polynomial regressions as a function of temperature were carried out through least square fitting method according to the experiment points. The polynomial fitted values of the molar heat capacities and the thermodynamic functions relative to the standard reference temperature 298.15 K based on the polynomial equations were derived. In addition, thermal behavior of the two compounds was investigated by thermal analysis techniques, differential scanning calorimetry/thermogravimetric analysis.     

An efficient high-speed counter-current chromatography method for the preparative separation of sesquiterpenoids from the rhizomes of Cyperus rotundus L. combined with evaluation of the anti-inflammation activity in vitro and molecular docking

Cyperus rotundus L. has been extensively used in ancient medication for the treatment of different disorders worldwide, in which sesquiterpenes are the most representative components. In this study, sesquiterpenes were effectively purified by two-dimensional counter-current chromatography in combination with continuous injection and inner-recycling mode with a solvent system of n-hexane/ethyl acetate/methanol/water (1:0.2:1:0.2, v/v/v/v). For one-dimension separation, continuous injection mode was used with three times injection and the inner-recycling mode was adopted for the separation of two mixtures for two-dimensional separation. Finally, four sesquiterpenoids, including scariodione ( 1 ), cyperenoic acid ( 2 ), scariodione ( 3 ), and α-cyperone ( 4 ), were obtained with purities over 98%. Mass spectrometry and nuclear magnetic resonance were applied to identify their structures. The results from the anti-inflammation effect with zebrafish demonstrated that cyperenoic acid exhibited stronger anti-inflammation activity. Molecular docking results suggested that cyperenoic acid possessed lower binding energies –9.4545 kcal/mol with 1CX2 to form formed hydrogen bond interaction with ARG120. In general, all the obtained findings proved that the strong anti-inflammation capacity of cyperenoic acid can have the potential of being adopted for treating diseases resulting from inflammation.     

A multifunctional blue phase liquid crystal lens based on multi-electrode structure

A blue phase liquid crystal (BPLC) lens with multifunction using multi-electrode structure and a dielectric layer with high dielectric constant is proposed. The refractive index of the BPLC can be changed flexibly in different regions. Some functional or technical requirements such as switch between positive and negative lenses can be achieved. The lens reveals a good parabolic refractive index distribution and focus adjustment capacity simultaneously. The applied voltage on the electrodes is regular and computable. To decrease the applied voltage of the proposed lens with a large diameter, a drive-type adopted Fresnel lens is introduced.     

开放骨架磷酸铝合成中碳链长度对乙二胺结构导向效应的影响

以乙二胺(EDA)和1,3-丙二胺(1,3-DAP)为结构导向剂,在180 ℃加热摩尔比n(Al₂O₃):n(P₂O₅):n(R):n(H₂O)=1:1:1:277(R=EDA,1,3-DAP)的混合物,分别得到了高结晶度的三维阴离子开放骨架磷酸铝AlPO₄-12和UiO-26。 利用X射线粉末衍射分析、元素分析和液相酸碱度测量等表征手段,研究了两个合成体系的晶化过程以及晶化过程中液相的Al、P浓度和pH值随时间的演化。 用Materials Studio中的“原子体积和表面”模块和Dmol3模块计算了双质子化乙二胺和1,3-丙二胺的体积以及Hirshfeld电荷。 结果表明,双质子化EDA和1,3-DAP中N原子上的Hirshfeld电荷分别为0.073 e和0.064 e,按Hirshfeld电荷计算的电荷密度分别为1.8573和1.3400 e/nm³,按形式电荷计算的电荷密度分别为25.44和20.94 e/nm³,而AlPO₄-12和UiO-26的骨架电荷密度分别为-6.1和-4.6 e/nm³。 结果表明,与氨基中N原子相连碳链长度的改变会影响其上的电荷量以及电荷密度,从而改变原有机胺的结构导向效应,导致晶化产物从AlPO₄-12变成了具有较小电荷密度的UiO-26。     

单轴拉伸下氧化锆纳米柱相变机理的分子动力学研究

通过分子动力学模拟,观察到[001]取向的四方氧化锆纳米柱在拉伸载荷下具有两个线弹性变形的应力-应变关系.这一现象是四方结构向单斜结构相变的结果 .为了进一步阐明应力-应变曲线,进行了包括晶体结构分析和原子应变计算在内的详细研究.晶格取向强烈影响塑性变形机制,即[001]和[111]取向的纳米柱在拉伸载荷下经历相变,而沿[110]取向的纳米柱导致脆性断裂.观察到显著的温度效应,随着温度从300K升高到1500K,弹性模量从573.45GPa线性降低到482.65GPa.此外,还用轻推弹性带(NEB)理论估算了相变能垒,观察到相变能垒随温度的升高而降低.这一工作将有助于加深对氧化锆的四方相到单斜相转变和纳米尺度力学行为的理解.     

Zinc Stannate Nanostructures for Energy Conversion

To date,ternary metal oxide semiconductor materials have attracted extensive attention worldwide due to their unique optoelectronic properties.As a classical ternary oxide,Zn2SnO4 is featured with the high electron mobility,wide band gap,negligible visible light absorption and tailorable electronic band structures.Thus,it is an ideal material for practical use in solar cells,lithium batteries,sensors,and photo-catalysts.In this review,we summarize the recent research progress of this material with the focus on the synthesis methods,nanostructures,and the resulting effects on the crystal structure,optical properties,and photoelectrochemical properties.Moreover,their potential applications in different devices are highlighted and carefully discussed.     

Gain-clamped dual-stage L-band EDFA by using backward C-band ASE

A dual-stage L-band gain-clamped erbium-doped fiber amplifier (GC-EDFA) by using backward C-band amplified spontaneous emission (ASE) is proposed. Compared with other similar GC-EDFAs, the proposed structure has higher and flatter clamped gain in L-band because of its optimal pump power and EDF length. The flatness from 1570 nm to 1600 nm arrives 0.77 dB, the bandwidth of 3 dB is more than 35 nm and the maximal input signal power arrives −15 dBm.     

激光冷却OH分子的理论研究

采用高精度的多参考组态相互作用方法计算OH分子基态和第一激发态的势能曲线.为获得更精确的计算结果,在计算过程中考虑Davidson修正、标量相对论效应、核价相关效应和自旋轨道耦合效应.基于计算的Λ-S和?态的势能曲线,对一维径向薛定谔方程进行数值求解,得到各个电子态的光谱数据,与已报道的实验值和理论值相符合.获得OH分子的永久偶极矩、跃迁偶极矩、振动能级、Franck-Condon因子及辐射寿命,结果表明,A~2Σ~+→X~2Π跃迁具有高度对角化的Franck-Condon因子(0.9053)和短的辐射寿命(5.8363×10~(-7)s),符合激光冷却分子的条件.制定了激光冷却OH分子的具体方案,计算得到激光冷却跃迁A~2Σ~+→X~2Π所需的三束激光波长,主光束波长为307.1532 nm,两束重抽运激光波长为344.9163和349.7659 nm.计算结果为超冷OH分子的实验制备提供重要的理论依据.     

激光相干合成中单元的相位和振幅波动对合成光束远场分布的影响

运用傅里叶光学分析法推导出系统抖动造成单个光源的相位和振幅发生波动时的远场光强表达式,以1维阵列为例分析了系统抖动对远场的影响.研究表明:随着参与合束的发光单元数目的增加,尖峰变锐,能量更集中;系统抖动引起了远场峰值光强的减少.出现了本底现象,破坏了远场的对称性和光束质量;激光阵列单个光源的相位随机抖动应该控制在3 π/8范围内;相干合束发光单元数目越多,系统抖动对远场的影响越小.