Yb：Y3A15O12晶体晶格振动光谱的研究

采用提拉法生长Y3A15O12（YAG）晶体和Yb^3＋掺杂原子数分数分别为5％，10％，15％，20％，25％，50％N100％的Yb：Y3A15O12（Yb：YAG）晶体。系统表征和分析了Yb^3＋掺杂浓度对拉曼光谱的影响。随着Yb^3＋掺杂浓度的增加，晶体的振动模式没有明显的变化，晶体结构没有改变；在370cm^-1和785cm^-1附近，振动吸收峰的半峰全宽逐渐增大。分析得出，Yb抖掺杂浓度对晶体的晶格、对称性、荧光寿命均有影响，从而可能影响到晶体的光谱和激光性能。     

创新完善集体备课制度，提升有机化学实验教学质量

集体备课作为有机化学实验教学中一个不可或缺的重要环节,数十年来,我们始终坚持并不断创新发展,使集体备课的内容更加全面、形式更多样化、实效性更强。集体备课促进了教师自身素质和教学能力提高,加快了一流实验教学团队建设,推动了实验教学内容、教学方法、教学手段以及实验室管理的创新发展,保障了有机化学实验教学质量稳步提升。     

A simple strategy to fabricate poly (acrylamide-co-alginate)/gold nanocomposites for inactivation of bacteria

A facile and efficient approach to prepare uniform gold nanoparticles (Au NPs) in hybrid hydrogel consisting of acrylamide (AM) and alginate (SA) for antibacterial applications is reported. In this study, reduction of gold ions by acrylamide and alginate (AM–SA) occurred before the polymerization and as-obtained gold colloids are stabilized by AM–SA immediately in the absence of commonly used reducing agents and protective reagents. Via transmittance electron microscopy results, we can conclude that the obtained gold nanoparticles in hydrogel are well dispersed. Furthermore, ultraviolet–visible absorption spectroscopy, Fourier transform infrared and thermogravimetric analysis were used to characterize the structure and composition of the synthetic nanocomposites. Our approach provides well-dispersed nanoparticles around 8 mm in size. It is important to underline that nanoparticle aggregation was not observed during and after gel formation. The prepared Au NPs exhibited remarkable stability in the presence of high pH s, and a range of salt concentrations. Importantly, the hydrogel/gold nanocomposites showed a non-compromised activity to inhibit the growth of a model bacterium, Escherichia coli. With their excellent mechanical behavior, as well as the remained antibacterial activity, the nanocomposites should get various potential applications in the fields of pharmaceutical science and tissue engineering.     

Experiment and modeling of paired effect on evacuation from a three-dimensional space

A novel three-dimensional cellular automata evacuation model was proposed based on stairs factor for paired effect and variety velocities in pedestrian evacuation. In the model pedestrians' moving probability of target position at the next moment was defined based on distance profit and repulsive force profit, and evacuation strategy was elaborated in detail through analyzing variety velocities and repulsive phenomenon in moving process. At last, experiments with the simulation platform were conducted to study the relationships of evacuation time, average velocity and pedestrian velocity. The results showed that when the ratio of single pedestrian was higher in the system, the shortest route strategy was good for improving evacuation efficiency; in turn, if ratio of paired pedestrians was higher, it is good for improving evacuation efficiency to adopt strategy that avoided conflicts, and priority should be given to scattered evacuation.     

载银sod基纳米分子筛的合成及抗菌性能

采用两步法合成了sod基系列分子筛(EMT、FAU、SOD),并通过离子交换法引入Ag⁺得到载银分子筛,通过X射线衍射(XRD)、扫描电子显微镜(SEM)证明离子交换前后分子筛骨架结构和晶粒尺寸没有发生明显变化;通过红外光谱(IR)、热重(TG)证明制得的载银分子筛具有良好的稳定性;对获得的载银分子筛进行了Ag⁺释放实验与抗菌能力测试,考察了分子筛种类和晶粒尺寸对抗菌性能的影响。结果表明具有笼状结构的FAU与EMT分子筛因可储存更多的Ag⁺而具有更好的抗菌性能,而具有超笼结构的FAU分子筛抗菌性能最优。通过对比不同晶粒尺寸载银FAU分子筛抗菌数据发现,晶粒尺寸为100 nm的载银FAU分子筛因外表面丰富的抗菌活性位点以及其内部可以储存并不断释放Ag⁺而具有最优的抗菌性能和抗菌寿命。而晶粒尺寸为10 nm的载银FAU分子筛由于晶粒尺寸较小、外比表面积大、扩散路径短,Ag⁺的释放速率最快,抗菌效率最高。     

Ar流速对多级弧放电装置中Ar等离子特性的影响

采用PLASIMO程序模拟了入口处Ar流速对多级弧放电产生的非热平衡Ar等离子体特性的影响。模拟结果发现:从入口处到出口处,沿中心轴线,压强逐渐降低,电子平均能量基本保持不变。当流速一定时,从器壁到中心轴线处,电子数密度呈增大趋势;从入口处到出口处,电子数密度呈先增大后减小的趋势;当流速分别为50,100,150和200 cm3/s时,电子数密度最大值分别为10.131021,16.311021,18.981021和26.331021 m-3;随着流速的增大,其电子数密度逐渐增大。当流速一定时,从器壁到中心轴线处,电子温度逐渐增大;从入口处到出口处,电子温度呈先增大后减小再增大的趋势,并在中心轴线处距入口55～60 mm有最大值,当流速分别为50,100,150和200 cm3/s时,其最大值分别为1.299,1.234,1.157和1.132 eV;由于入口处和器壁处的电子温度都为0.517 eV,所以随着Ar流速的增大,其电子温度逐渐减小。当Ar流速一定时,从器壁到中心轴线处,离子温度逐渐增大;从入口处到出口处,离子温度呈先增大后减小的趋势,并且在中心轴线距入口20～30 mm离子温度取得最大值,当流速分别为50,100,150和200 cm3/s时,离子温度最大值分别为0.815 6,0.907 02,0.975 2和1.014 eV。随入口处流速的增大,电弧腔体内的离子温度逐渐增大。     

环丁烯酮化合物高效合成喹啉衍生物的应用研究

在酸催化作用下,成功实现了3-氨基-2-环丁烯酮开环重排一步合成喹啉类化合物,对反应溶剂、催化剂、温度、投料比等影响因素进行了考察,在优化反应条件下催化合成了一系列喹啉类化合物,获得了较好的产率.该合成方法具有反应温度低、产率高以及反应迅速等优点,为喹啉类衍生物的合成建立了一种简单有效的新方法.     

Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons

Applications of the peroxidase activity of cytochrome P450 enzymes in synthetic chemistry remain largely unexplored. We present herein a protein engineering strategy to increase cytochrome P450BM3 peroxidase activity for the direct nitration of aromatic compounds and terminal aryl-substituted olefins in the presence of a dual-functional small molecule (DFSM). Site-directed mutations of key active-site residues allowed the efficient regulation of steric effects to limit substrate access and, thus, a significant decrease in monooxygenation activity and increase in peroxidase activity. Nitration of several phenol and aniline compounds also yielded ortho- and para-nitration products with moderate-to-high total turnover numbers. Besides direct aromatic nitration by P450 variants using nitrite as a nitrating agent, we also demonstrated the use of the DFSM-facilitated P450 peroxidase system for the nitration of the vinyl group of styrene and its derivatives.