Scaling properties of image textures: A detrending fluctuation analysis approach

The aim of this paper is to explore the application of detrended fluctuation analysis (DFA) to study roughness features of images. Unidimensional sequences at different image orientations are extracted and their average scaling exponent is estimated. In this form, the existence of anisotropies can be detected when considerable variations in the scaling exponent at different image orientation are observed. Different images from grass to solar granulation are analyzed and the underlying physics of such results is briefly commented.     

《高分子化学》课程中“活性自由基聚合”的教学实践

《高分子化学》课程是五大化学基础课程(无机化学、有机化学、分析化学、物理化学、高分子化学)之一,是化学类、高分子材料与工程、材料化学专业的必修课程。"活性"/可控自由基聚合是一种相对较新且重要的聚合物合成技术和方法,针对目前《高分子化学》课程中活性自由基聚合的教学比较薄弱的现状,从教学的角度探讨了活性聚合和可控/"活性"自由基聚合的本质和特点,介绍了本人在这方面的教学实践活动,遵循成果导向教育理念,通过以学为中心的教学方式,打造金课,提高教学质量。     

三个绿光铱(Ⅲ)配合物的合成和光电性质

采用2-(4-三氟甲基苯基)吡啶(tfmppy)为主配体,分别以四(4-氟苯基)苯基膦酰亚胺(F-tpip)、四(4-甲氧基苯基)膦酰亚胺(MeO-tpip)和四(1-萘基)膦酰亚胺(tnin)为辅助配体合成了3个铱配合物((tfmppy)_2Ir(F-tpip)、(tfmppy)_2Ir(MeO-tpip)和(tfmppy)_2Ir(tnin))。其结构通过核磁氢谱、质谱、元素分析和单晶结构测定进行了验证。配合物(tfmppy)_2Ir(F-tpip)和(tfmppy)_2Ir(MeO-tpip)属于三方晶系P1空间群,配合物(tfmppy)_2Ir(tnin)属于三斜晶系R3c空间群。3个配合物都是绿光材料,具有类似的发光颜色和发光效率((tfmppy)_2Ir(F-tpip):λ_(em)=526 nm,Φ=0.52;(tfmppy)_2Ir(MeO-tpip):λ_(em)=523 nm,Φ=0.44;(tfmppy)_2Ir(tnin):λ_(em)=522 nm,Φ=0.48)。3个配合物的循环伏安曲线都显示出了良好的氧化还原性质。(tfmppy)_2Ir(F-tpip)、(tfmppy)_2Ir(MeO-tpip)和(tfmppy)_2Ir(tnin)的HOMO能级分别为-5.67、-6.08和-5.69 eV,其LUMO能级分别为-3.29、-3.61和-3.22 eV。     

Preparation of TiO2 nanocrystallites by hydrolyzing with gaseous water and their photocatalytic activity

TiO₂ nanocrystallites were prepared from precursors tetra-n-butyl titanate (Ti(OC₄H₉)₄) and titanium tetrachloride (TiCl₄). The precursors were hydrolyzed by gaseous water in autoclave, and then calcined at predetermined testing temperatures. The samples were characterized by X-ray diffraction (XRD), thermogravimetry–differential thermal analysis (TG–DTA), field emission scanning electron microscopy (FE-SEM), Fourier transform infrared spectra (FT-IR), and UV–vis diffuse reflectance spectra (DRS). The photocatalytic activities of the samples were evaluated by the photobleaching of methylene blue (MB) in aqueous solution and the photocatalytic oxidation of propylene in gas phase at ambient temperature. The results showed that the anatase phase nanocrystalline TiO₂ could be obtained at relatively low temperatures (for precursor Ti(OC₄H₉)₄ at 110 °C and for TiCl₄ at 140 °C, respectively), and that the as prepared samples exhibited high photocatalytic activities to photobleach MB in aqueous solution. As the calcination temperatures increasing, the decolor ratio of MB increased and reached the maximum value of nearly 100% at 600 °C, and then decreased. The photobleaching of MB by all samples followed the pseudo-first-order kinetics with respect to MB concentration. The photodecomposition amount of propylene by TiO₂ nanocrystallites calcined at 600 °C from precursor of Ti(OC₄H₉)₄ is 21.6%, which is approaching to that by Degussa P25 TiO₂ (24.9%).     

Novel nitrogen ligands based on imidazole derivatives and their application in asymmetric catalysis

Recently prepared chiral amines have been used in the preparation of novel tridentate ligands based on an imidazole ring with an additional (hetero)ring. The synthesis was carried out by the reaction of chiral amines with suitable aldehydes (2-phenylimidazole-4-carbaldehyde, 2-hydroxybenzaldehyde or pyridine-2-carbaldehyde) under reductive conditions (H₂/Pd or NaBH₄). All ligands prepared showed strong hydrogen bonds in d₆-DMSO solution, which resulted in hindered imidazole tautomerism. The observed hindered tautomerism was studied by ¹H NMR spectroscopy. The structures of the prepared ligands were also confirmed by APCI mass spectroscopy. Both chiral amines and tridentate compounds have been applied as ligands in copper (II)-catalyzed nitroaldol reactions (Henry reaction). Various reaction conditions for the Henry reaction have been studied (influence of temperature, molar ratio, solvent or copper (II) precursors). The compounds prepared with the two imidazole rings showed fast reaction times and a reversal in enantioselectivity compared to other chiral amines.     

Simplified sonochemical preparation of titania embedded with selected metals for purification of benzene and toluene

Titania (TiO₂) photocatalysts, each embedded with one of six metals (Ag, Ce, Co, Fe, Mg, and Mn), were prepared using a simplified ultrasonic process. The characteristics of the prepared metal-embedded TiO₂ (metal–TiO₂) were determined using transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction spectroscopy, photoluminescence emission spectroscopy, UV–visible spectroscopy, and nitrogen adsorption–desorption. Except for Co–TiO₂, the metal–TiO₂ photocatalysts showed improved performance for the decomposition of gaseous benzene and toluene, which are two of the most problematic indoor air pollutants that can cause a variety of adverse health symptoms, under daylight lamp irradiation. Photocatalytic activity was greatest for the Mg–TiO₂ sample, followed by, in order, the Ag–TiO₂, Ce–TiO₂, Fe–TiO₂, Mn–TiO₂, unmodified TiO₂, and Co–TiO₂ samples. Although Mg–TiO₂ showed the least redshift in its light absorption and the highest electron–hole recombination rate among the metal–TiO₂ photocatalysts, it yielded the highest photocatalytic activity, likely because of its increased adsorption capacity and anatase composition. The degradation of benzene and toluene over Mg–TiO₂ improved as ultrasound treatment amplitude increased from 20 to 37 μm, then decreased gradually as amplitude was further increased to 49 μm. Degradation efficiency also improved as ultrasound operation time increased from 30 to 60 min, then decreased gradually as amplitude was further increased to 90 min. Overall, this process could be utilized to prepare metal–TiO₂ photocatalysts with improved performance for the decomposition of gas phase pollutants under daylight lamp irradiation.     

Direct dynamics study of the hydrogen abstraction reaction of CF3CH2Cl + Cl → CF3CHCl + HCl

The hydrogen abstraction reaction of Cl atoms with CF₃CH₂Cl (HCFC‐133a) is investigated by using density function theory and ab initio approach, and the rate constants are calculated by using the dual‐level direct dynamics method. Optimized geometries and frequencies of reactants, transition state, and products are computed at the B3LYP/6‐311+G(2d,2p) level. To refine the energetic information along the minimum energy path, single‐point energy calculations are carried out at the G3(MP2) level of theory. The interpolated single‐point energy method is employed to correct the energy profiles for the title reaction. The rate constants are evaluated by using the canonical variational transition state theory with a small‐curvature tunneling correction over a wide range of temperature, 200–2000 K. The variational effect for the reaction is moderate at low temperatures and very small at high temperatures. However, the tunneling correction has an important contribution in the lower temperature range. The agreement between calculated rate constants and available experimental values is good at lower temperatures but diverges significantly at higher temperatures. © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 661–667, 2012