Selective Oxidation of Methane into Methanol Under Mild Conditions

Selective oxidation of methane to methanol under mild conditions has been considered as a dream reaction but suffers from poor efficiency due to the strong C-H bond of methane and easy overoxidation of the methanol product. For overcoming these problems, a series of strategies has been developed for improving methanol productivity with oxidants of hydrogen peroxide and even a mixture of oxygen and hydrogen at mild temperatures. Significant achievements in these strategies using effective catalysts, such as supported metal nanoparticles, colloidal metal nanoparticles, and metal@zeolites are briefly concluded. Moreover, the current challenges, future perspectives for preparing active, selective, and stable catalysts, have been discussed. The zeolite fixed metal nanoparticle structure has been found to boost the reaction by benefiting the formation and enrichment of peroxide intermediates, which might guide the development of more efficient catalysts.     

化学共沉淀法制备单相BiFeO3粉体及其高密度单相陶瓷块材的物理性能

通过对Fe3+-Bi3+-NO-3-H2O体系的热力学分析,确定了Bi3+、Fe3+共沉淀范围为p H=7~12。固定p H=11,采用共沉淀法制备了Bi Fe O3的前驱体,经过煅烧得到了单相Bi Fe O3粉体,并进行了粒度和晶体结构的研究。采用放电等离子烧结(spark plasma sintering,SPS)的方法制备出高密度单相Bi Fe O3陶瓷块材并测试了其介电性能和铁电性能。结果表明,陶瓷块材相对密度为96.7%;陶瓷块材在频率为30 MHz时,介电常数ε’为91.9,介电损耗tanδ为0.017;陶瓷块材在室温时具有铁电性。在电场强度为30 k V/cm时,饱和极化强度Ps’=0.40μC/cm2,剩余极化强度Pr’=0.17μC/cm2,矫顽场强度EC=16 k V/cm。放电等离子烧结(SPS)出的陶瓷块材比传统常压烧结制备的陶瓷块材更加致密,介电和铁电性能更加优良。     

超声法合成CePO4纳米线及发光性能研究

用CeO2作为铈源,采用可重复利用的H3PO4及非模板剂的情况下,用低温超声法成功合成了六方结构的CePO4一维纳米线材料。用X-射线粉末衍射(XRD)、透射电镜(TEM)和荧光分光光度计(FL)测试样品的物相结构、微观形貌、颗粒尺寸和发光性能;并研究超声时间和PO3-4/Ce3+摩尔比对产物的形貌和荧光性能的影响。结果表明:实验所做出的样品全部是六方晶系的结构,形貌都为一维纳米线,其纳米线长50~200nm,宽5~40nm左右;不同超声时间和PO3-4/Ce3+摩尔比的纳米线长径比不同,随超声时间的延长和PO3-4/Ce3+摩尔比增大纳米线出现团聚现象,产物在250~300nm处有宽的激发峰,在378nm处有一个发射峰,是属于Ce3+的5d-4f能级跃迁。     

Ca8Mg（SiO4）4Cl2∶Eu2+,Ce3+,Mn2+绿色荧光粉发光性能及其应用研究

利用高温固相法,合成出Eu2+、Ce3+、Mn2+共掺的Ca8Mg(SiO4)4Cl2系列绿色荧光粉。通过XRD表征了这些荧光粉的结构,通过分子荧光光谱仪研究了它们的室温发光性能。首先调查了Eu2+掺杂的Ca8Mg(SiO4)4Cl2绿色荧光粉发光性能,随后引入Ce3+、Mn2+提高了Ca8Mg(SiO4)4Cl2∶Eu2+在紫外光区的吸收强度及绿光发射强度。最后将筛选出来的荧光粉与InGaN-LED芯片组装制作成单一绿光LED器件,利用Ca7.8215MgSi4O16Cl2∶0.0525Eu2+,0.056Ce3+,0.070Mn2+所制作成的绿光LED器件发光最强,在20mA电流激发下,此LED发很强的绿光,其电致发光光谱所对应的色坐标值为:x=0.26,y=0.55。     

3-Oxodapagliflozin as a Potent and Highly Selective SGLT2 Inhibitor for the Treatment of Type 2 Diabetes

Structural modifications of 3-OH in the glucose moiety of dapagliflozin（1）, an approved potent sodium-dependent glucose transporter 2（SGLT2） inhibitor, led to 3-oxodapagliflozin（16）, a highly potent and more selective SGLT2 inhibitor[IC50（hSGLT1）/IC50（hSGLT2）=2851 for compound 16 vs. 843 for compound 1]. 3-Oxodapagliflozin（16） exhibited in vitro（IC50=1.0nmol/L against hSGLT2 for compound 16 vs. 1.3 nmol/L for compound 1） and in vivo activities comparable to those of dapagliflozin（1）. The bioactivities of 3-oxodapagliflozin （16） warrant its further evaluation as a promising SGLT2 inhibitor for the treatment of type 2 diabetes.     

Comparison of Two Rhodamine-Polyamine Polystyrene Solid-phase Fluorescence Sensors for Hg(II) Detection Based on Theoretical Calculation

Two novel rhodamine-based polystyrene solid-phase fluorescence sensors PS-PA-I and PS-PA-II with different lengths of polyamines were synthesized for Hg(II) determination. The detection mechanism involving the Hg(II) chelation-induced spirocycle open of rhodamine was proposed with the aid of theoretical calculation. The stronger N-Hg bond and the longer polyamine chain in PS-PA-II led to a better selectivity, much higher and more quickly fluorescence response to Hg(II).     

Towards Artificial Cells: Engineering Encapsulated Molecular Signaling with Intelligent DNA Nanomachines

The building and engineering of an artificial molecular signaling system in encapsulated vesicles is a key step towards artificial cells. Recently, Tan et al. reached a new milestone by integrating an intelligent DNA nano- gatekeeper with an artificial vesicle system. The DNA nanogatekeeper driven by adenosine triphosphate(ATP) is able to receive outside stimulus, which in turn switches the diffusion of environmental ions into the integrated vesicle. Most importantly, this system enables triggering downstream signaling cascaded reactions confined in the artificial vesicle, as well as returning feedback to the DNA nanogatekeeper, mimicking real cellular behaviors of reception, transduction and response. This work has been published online in Nature Communications aon February 20, 2020.     

优化端点条件的平面二次均匀B样条插值曲线

在利用反求法构造B样条插值曲线时,往往需要选取端点条件。 因此,可对端点条件进行优化选取,使得构造的B样条插值曲线满足特定要求。提出了一种利用曲线内能极小选取平面二次均匀B样条插值曲线端点条件的算法。首先给出了二次均匀B样条插值曲线分控制顶点与首个控制顶点（即端点条件）的递推关系式;然后给出了利用曲线内能极小优化选取首个控制顶点的算法,证明了利用该算法构造的C¹连续二次均匀B样条插值曲线为保形插值,并通过数值算例证明了算法的有效性;最后,为便于实际应用,基于MATLAB平台设计了算法所对应的图形用户界面,用户通过简单的操作即可获得光顺的C¹连续二次均匀B样条保形插值曲线。     

融合图卷积神经网络和注意力机制的PM2.5小时浓度多步预测

PM_2.5小时浓度多为单步预测。为实现PM_2.5小时浓度的多步预测,基于“编码器-解码器”的序列-序列预测（Seq2Seq）模型,集合图卷积神经网络提取非欧式空间数据特征的能力以及注意力机制自适应关注特征的能力,提出了融合图卷积神经网络和注意力机制的PM_2.5小时浓度多步预测（GCN_Attention_Seq2Seq）模型。并与Seq2Seq模型和使用了图卷积神经网络、未使用注意力机制的GCN_Seq2Seq模型进行了对照,以2015—2016年北京市22个空气质量监测站点的空气质量数据为样本进行实例验证,结果表明,Seq2Seq模型和图卷积神经网络（GCN）可对PM_2.5小时浓度数据的时空依赖进行有效建模,注意力机制有助于减缓多步预测中的预测精度衰减,提升PM_2.5小时浓度多步预测的精度。GCN_Attention_Seq2Seq模型可有效应用于多种长度的PM_2.5浓度预测窗口。