Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane

Reversible conversion between excited-states plays an important role in many photophysical phenomena. Using 1-(pyren-2′-yl)-o-carborane as a model, we studied the photoinduced reversible charge-transfer (CT) process and the thermodynamic equilibrium between the locally-excited (LE) state and CT state, by combining steady state, time-resolved, and temperature-dependent fluorescence spectroscopy, fs- and ns-transient absorption, and DFT and LR-TDDFT calculations. Our results show that the energy gaps and energy barriers between the LE, CT, and a non-emissive ‘mixed’ state of 1-(pyren-2′-yl)-o-carborane are very small, and all three excited states are accessible at room temperature. The internal-conversion and reverse internal-conversion between LE and CT states are significantly faster than the radiative decay, and the two states have the same lifetimes and are in thermodynamic equilibrium.

Reversible conversion between excited-states is key to many photophysical phenomena. We studied the equilibrium between LE and CT states by time-resolved and temperature-dependent fluorescence, fs- and ns-transient absorption, and LR-TDDFT calculations.     

Effect of biaxial strain and hydrostatic pressure on the magnetic properties of bilayer CrI3

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI₃. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagneticto-antiferromagnetic transition of both CrI₃ layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI₃ may be generalized to other two-dimensional magnetic materials.     

深圳城市气溶胶物理光学特性的观测研究

气溶腔是影响气候变化和空气污染的重要因子,在深圳地区展开气溶胶观测实验,可以获得可靠的光学物理特征,进而有助于准确评估气溶胶在新型超极城市区域的气像和环境效应,本文利用2010年12月至2011年8月太阳光度计、黑碳和浊度计等气溶胶观测资料,分析了新型超级城市深圳地区的气溶胶物理光学特性,深圳地区气溶胶呈明显季节变化,冬、春季由于城市污染性气溶胶的影响,气溶胶光学厚度和Angstrom波长指数都较大,夏季受海盐气溶胶的影响,光学厚度较小Angstrom波长指数也较小,光学厚度与Angstrom波长指数对比表明城市综合性污染是引起深圳气溶胶高光学厚度的主要原因,深圳地区气溶胶的散射系数、吸收系数的平均值(标准偏差)分别为178.7×10-6 m-1 (126.6×10-6m-1和32.5×1O-6m 1 (18.1×10-6m1),均低于珠三角腹地多年观测平均值的二分之一和国内其他大型城市观测值,而单次散射反照率为0.81,与珠三角其他地区得到的结果接近.此外,气溶胶吸收、散射和单次散射反照率呈明显日变化,可能主要受大气边界层变化的影响.     

抛光粉颗粒度对高功率激光玻璃材料抛光效率和粗糙度的影响

磷酸盐钕玻璃、熔石英和BK7是3类用于激光惯性约束聚变(ICF)装置主要光学元件材料.实验中采用不同平均粒径的氧化铈抛光粉对上述3类材料分别进行抛光,对特定材料抛光去除量和抛光粉平均粒径的关系进行了研究.实验表明:由于材料的物理和化学特性不同,特定的材料需选用相应平均粒径大小的抛光粉才能达到最佳的抛光效率.实验还就上述3类高功率激光玻璃材料抛光中各个阶段的抛光粗糙度与抛光粉平均粒径的关系进行了研究,结果表明:某一规格抛光粉的粒径对不同特性材料抛光后的表面粗糙度影响表征情况不同.     

基于双目立体视觉实现物体三维测量的研究

以双目立体视觉理论为基础,提取立体图像的Harris角点作为特征点,经过基于小波变换的子线段匹配方法,采用由粗到细的匹配策略匹配端点,盒滤波技术加速法,解决了匹配准确度和匹配速度之间的平衡问题.采用该方法对水泥冷却机内熟料进行测量,实验表明该方法能够较精确的对物体实现三维测量.     

基于二代curvelet变换的图像融合研究

曲波(Curvelet)作为一种新的多尺度分析方法比小波更加适合分析二维图像中的曲线或直线状边缘特征,而且具有更高的逼近精度和更好的稀疏表达能力.将curvelet变换引入图像融合,能够更好地提取原始图像的特征,为融合图像提供更多的信息.第二代curvelet理论的提出也使得其理论更易理解和实现.因此,提出了一种基于第二代curvelet变换的图像融合方法,首先将图像进行curvelet变换,然后在相应尺度上利用融合规则将curvelet系数融合,最后进行重构得到融合结果.对多聚焦图像进行了实验,采用均方误差、偏差指数和相关系数对融合结果进行了客观评价,并与基于小波变换的融合进行了比较,实验结果表明该方法除分解2层时与小波性能相当,取其他分解层数时均获得更好的融合效果.     

代际流动性的地区差异及影响因素—来自中国的微观证据

代际流动性是测度社会不平等的重要指标,区域发展不平衡则是中国的客观现实。运用人口普查数据和中国城市年鉴,可发现中国现阶段代际流动性的三个特征：（1）全国层面的代际收入弹性为0.673。（2）代际流动性呈现出显著的地区及城市差异,沿海、北方的代际流动性明显高于内陆及南方。代际收入弹性最低的省会城市是天津（0.107）,最高的是江西南昌（0.686）;地级市分别是山东莱芜（0.124）和云南丽江（0.76）。（3）具有以下特征的地区具有更高的代际流动性：沿海及经济发达地区,高校更多、中小学教育投入更多的地区,非少数民族聚集地,革命老区。从微观机理上分析代际流动性的地区差异,可以为中国区域平衡发展政策提供理论依据。     

Synthesis, Structure and H+/K+-ATPase Inhibitory Activity of Novel Triazolyl Substituted Tetrahydrobenzofuran Derivatives via One-pot Three-component Click Reaction

Eleven triazolyl substituted tetrahydrobenzofuran derivatives were synthesized in high yields as novel H⁺/K⁺‐ATPase inhibitor via one‐pot CuI‐catalyzed three‐component click reaction of azide, secondary amine and 3‐bromopropyne under mild conditions in water. Their structures were characterized by NMR, IR, ESI‐MS, elemental analysis and single‐crystal X‐ray diffraction analysis. Most of the target compounds exhibited better H⁺/K⁺‐ATPase inhibitory activity than commercial omeprazole with IC₅₀ values less than 15 µmol·L^?1. The initial structure‐activity analysis suggested that the triazole substituted by cycloalkyl, aromatic ring or O‐containing side‐chain seemed to be beneficial for enhancing the activity.     

A modified procedure for synthesis of the side chain of ceftazidime-activated thioester

A modified procedure for synthesis of the side chain of ceftazidime-activated thioester has been established. This key intermediate of ceftazidime was obtained by a more eco-friendly process than conventional methods, and the yield was much higher (up to 92.4 %). It was found that different organic bases (triethylamine or pyridine) used in this reaction had different effects. The reaction conditions were also optimized to make the route more competitive and suitable for large-scale industrial production.     

Coral reef-like polyanaline nanotubes prepared by a reactive template of manganese oxide for supercapacitor electrode

Coral reef-like PANI nanotubes composed of nanopaticles were successfully synthesized by a reactive template of manganese oxide.The structure was characterized by using SEM,TEM,and FT-IR,and the supercapacitive behaviors of these nanotubes were investigated with cyclic voltammetry（CV）,and charge-discharge tests,respectively.A maximum specific capacitance of 533 F/g could be achieved in 1mol/L aqueous H₂SO₄ with the potential range of -0.2 to 0.8 V（vs.the saturated calomel electrode） in a half-cell setup configuration for PANI electrode,suggesting its potential application in the electrode material for electrochemical capacitors.