Highly efficient SO2 capture by dual functionalized ionic liquids through a combination of chemical and physical absorption

Two kinds of dual functionalized ionic liquids with ether-functionalized cations and tetrazolate anions were designed, prepared, and used for SO(2) capture, which exhibit an extremely high SO(2) capacity and excellent reversibility through a combination of chemical and physical absorption.     

Microenvironment control of methyl rotation induced by proton transfer

Methyl rotation induced by proton transfer was found for cis-N-methylacetamide (NMA). More interestingly, it was found that the microenvironment could control the methyl rotation. The atom-centered density matrix propagation (ADMP) method, a recently developed ab initio molecular dynamics, was further carried out to depict the trajectories for methyl rotation of NMA. Moreover, trajectories for methyl rotation of NMA complexed with water molecules were also calculated, and water molecules at the two different sites of NMA were found to reverse or cease the rotational direction of the methyl groups of NMA. This finding that microenvironment can not only control rotational direction of methyl groups but can also cease the rotation may be of significant importance for the control of molecular machines.     

The reactivity of all-metal aromatic complexes: a theoretical investigation on the methane activation reaction

The recent finding of all-metal aromaticity enlightens us to explore the reactivity of all-metal aromatic complexes. The methane activation reaction was chosen for this purpose. The whole catalysis process of all-metal aromatics was investigated by theoretical calculation. The results reveal that the reaction barriers with all-metal aromatic complexes are far lower than that without any catalysts. All-metal aromatic complexes are predicted to have potential to be used as catalysts for the first time.     

利用相位差异技术校准非共光路静态像差

提出了一种用相位差异(PD)技术对自适应光学(AO)系统的非共光路静态像差进行校准的方法。相位差异技术通过采集焦面和离焦面的单帧或多帧短曝光图像来估算波前相位畸变,同时对目标图像进行恢复。在闭环工作条件下,自适应光学系统利用相位差异算法在线检测成像光路的静态像差,并将得到的像差系数转化为变形镜的初始化面形,从而补偿非共光路的静态像差。实验结果表明,校准后的成像质量显著提高,目标半峰全宽降低了约14%,系统残差降低了约72%。成像光路在线检测得到的系统残差与闭环回路实测残差的水平趋于一致,证实了相位差异技术应用于光学检测的能力。该方法具有在无需改变原有自适应光路以及高信噪比条件下便可精确解算系统像差的优点,是大口径光电成像系统较为理想的光学检测技术之一。     

Polynomial approximation method for tomographic reconstruction of three-dimensional refractive index fields with limited data

We propose a polynomial approximation method (PAM) for reconstruction of three-dimensional refractive index fields by interferometric tomography using limited data. Based on the assumption that the fields to be reconstructed are usually smooth and can be decomposed into a finite order of (orthogonal) polynomials, a set of linear equations can be constructed using both the measured projection data and the Radon transform of the basis functions. By solving these equations, the least-squares solutions of expansion coefficients can be obtained and then substituted back to yield the desired fields. Numerical results have demonstrated that the proposed method is fast, robust to noise and can achieve satisfactory results for refractive index fields with limited projection views and large opaque objects.     

A novel ZrGeO4 catalyst for degradation of organic dye pollutants at room temperature without light illumination

ABSTRACT

New catalysts satisfying simultaneously pollutant-removing and energy-saving have great potential in numerous environmental applications. To develop catalysts effective in decomposing organic dye pollutants under the energy-saving conditions of catalytic wet air oxidation (CWAO), herein we synthesized a new ZrGeO₄ catalyst. The catalytic performance of the ZrGeO₄ sample is superior to the previous CeGeO₄ and ZrHIO₆·4H₂O analogues in degrading rhodamine B (RhB) and methylene blue (MB). After being recycled for 3 times in the degradation experiments, the ZrGeO₄ catalyst did not undergo obvious loss in activity and change in chemical composition. The main active species for the dye degradation over ZrGeO₄ were also investigated.     

Ion pairing in tetraphenylporphyrin oxidation: a semiquantitative study

In 1,2-difluorobenzene (DFB), electrolyte conductivity measurements and cyclic voltammetric titration on the traditional benchmark tetraphenylporphyrin, H(2)tpp, permit the first estimate of ion pair association constants for singly- and doubly-oxidized free-base porphyrins. From ion titration cyclic voltammetry and digital simulation, measured association constants for H(2)tpp(+)X(-) were 65, 120, 210, 520 and 730 M(-1), for X(-)= PF(6)(-), ClO(4)(-), NTf(2)(-), BF(4)(-) and OTf(-), respectively, relative to the association constant for the H(2)tpp(+)TFPB(-) complex. By similar methods it was found that the association constants for the corresponding dication, H(2)tpp(2+), were at least 3.0 x 10(4) M(-1)(PF(6)(-)), 2.5 x 10(6) M(-1)(ClO(4)(-)), 5.2 x 10(5) M(-1)(NTf(2)(-)), 1.9 x 10(6) M(-1)(BF(4)(-)) and 2.7 x 10(6) M(-1)(OTf(-)). We demonstrate that differences in association constants allow the formal potential of the second oxidation of H(2)tpp to be shifted by more than 800 mV simply by varying the solvent and electrolyte. In addition, calculated electrostatic potential energy maps for porphyrin dications suggest that exposure of the core N-H groups is responsible for the change in ordering of anion affinities that occurs upon oxidation of H(2)tpp(+).     

共固定化TNF-α/IFN-γ对宫颈癌HeLa细胞的长效抑制作用

利用光化学固定方法,将TNF-α/IFN-γ共同固定在组织培养聚苯乙烯培养孔内,选择最佳固定细胞因子剂量20ng/well,对HeLa细胞行长效性实验研究.培养时间为1d、2d、3d、4d、5d和6d.同时设游离TNF-α+IFN-γ与纯无血清培养对照组.计算TNF-α/IFN-γ共固定药物对HeLa细胞抑制率.并采用荧光显微镜及流式细胞仪行Hoechst 33258染色定性分析和磷脂酰丝氨酸外翻定量分析细胞凋亡.结果表明低剂量20ng/well的共固定细胞因子对HeLa细胞的生长抑制具有时间效应,作用第5d抑制率达到92%,游离细胞因子作用第3d达到最大抑制率76%,第6d抑制率减少到41%.Hoechst 33258细胞形态学研究显示,药物作用6d时,20ng/well共固定细胞因子诱导的凋亡效果比游离细胞因子的更为显著.流式细胞仪磷脂酰丝氨酸外翻定量分析表明作用第6d,20ng/well共固定药物诱导宫颈癌细胞早中期凋亡的比率比同样浓度游离药物凋亡率高14.8%.经光化学固定后低剂量细胞因子TNF-α/IFN-γ具有抑制HeLa细胞生长与诱导HeLa细胞凋亡的活性,并且共固定化细胞因子的抑癌活性和药效持续性比游离细胞因子显著.     

Mixed-phase Mesoporous TiO2 Film for High Efficiency Perovskite Solar Cells

Mesoporous scaffold structures have played great roles in halide perovskite solar cells(PSCs),due to the excellent photovoltaic performance and commercial perspective of mesoporous PSCs.Here,we reported a mixed-phase TiO2 mesoporous film as an efficient electron transport layer(ETL)for mesoporous perovskite solar cells.Due to the improved crystal phase,fihn thickness and nanopartMe size of TiO2 layer,which were controlled by varying the one-step hydrothermal reaction time and annealing time,the PSCs exhibited an outstanding short circuit photocurrent density of 25.27 mA/cm^2,and a maximum power conversion efficiency(PCE)of 19.87%.It is found that the ultra-high Jsc attributes to the excellent film quality,light capturing and excellent electron transport ability of mixed-phase TiO2 mesoporous film.The results indicate that mix-phase mesoporous metal oxide fihns could be a promising candidate for producing effective ETLs and high efficiency PSCs.     

单体结构对基于离子作用的自修复光固化材料性能的影响

本文研究了单体结构及其比例对基于离子作用的自修复光固化材料光聚合行为、力学性能,以及自修复性能的影响。结果表明：改变软硬单体种类及其比例不会改变自修复光固化体系的光聚合行为。增加软单体含量和降低硬单体含量,材料的拉伸应变和修复效率随之增加,断裂应力随之降低。硬单体中刚性环会增加聚合物链间的内摩擦力,使材料断裂应力增加,软单体中柔性醚链则降低链间范德华力,增强链移动性,提高材料的拉伸应变和修复效率。软单体为丙烯酸正丁酯（BA）及硬单体为丙烯酸异冰片酯（IBOA）的样品IB7-BA3展现出较好的综合性能,断裂应力为1.42 MPa,拉伸应变为295%,修复效率高于90%。