Palladium-catalyzed chemoselective direct α-arylation of carbonyl compounds with chloroaryl triflates at the C–Cl site

This study described palladium-catalyzed chemoselective direct α-arylation of carbonyl compounds with chloroaryl triflates in the Ar–Cl bond. The Pd/SelectPhos system showed excellent chemoselectivity toward the Ar–Cl bond in the presence of the Ar–OTf bond with a broad substrate scope and excellent product yields. The electronic and steric hindrance offered by the –PR₂ group of the ligand with the C2-alkyl group was found to be the key factor affecting the reactivity and chemoselectivity of the α-arylation reaction. The chemodivergent approach was also successfully employed in the synthesis of flurbiprofen and its derivatives (e.g., –OMe and –F).

Palladium-catalyzed chemoselective direct α-arylation of carbonyl compounds with chloroaryl triflates in the Ar–Cl bond is reported. The effects of –PR₂ and C2-alkyl groups of the ligands are investigated using experimental and computational methods.     

Responses of Issatchenkia terricola WJL-G4 upon Citric Acid Stress

This study aimed to elucidate the responses of a novel characterized Issatchenkia terricola WJL-G4 against citric acid stress by performing physiological analysis, morphology observation, and structural and membrane fatty acid composition analysis. The results showed that under citric acid stress, the cell vitality of I. terricola WJL-G4 was reduced. The cell morphology changed with the unclear, uncompleted and thinner cell wall, and degraded the cell structure. When the citric acid concentration was 20 g/L, I. terricola WJL-G4 could tolerate citric acid and maintain the cell structure by increasing the intracellular pH, superoxide dismutase activity, and contents of unsaturated fatty acids. As the citric acid concentration was ≥80 g/L, the stress has exceeded the cellular anti-stress ability, causing substantial cell damage. The cell membrane permeability, the content of membrane lipids, malondialdehyde and superoxide anion increased, but the intracellular pH and superoxide dismutase activities decreased, accompanying the increase of citric acid concentrations. The findings of this work provided a theoretical basis for the responsive mechanism of I. terricola WJL-G4 under high concentrations of citric acid, and can serve as a reference for biological acid reduction in fruit processing.     

关于分布函数极大值位置的讨论

将关于某个变量的连续分布函数进行变数变换,除非新老变数为线性关系,否则变换前后的分布函数的极大值之间的关系一般会不同于新老变数之间的关系。     

声光栅正弦结构光投射器的光学系统设计

针对一种新型的声光波干涉测量技术,对声光栅正弦结构光投射器的三维测量工作原理进行了系统的分析,讨论了影响投射器光学系统结构的因素和影响接收屏上的光照度的因素,并进行了光学系统设计。在优化设计过程中,采用了限制光线最大入射角的方法,达到控制投射系统的球差和保证接收屏上照明均匀的要求。所设计的声光栅正弦光投射器具有很好的成像质量。应用该系统对在500mm处的石膏像上投射干涉条纹,可以得到能量比较均匀、变形量很小的干涉条纹图,利用该条纹图和相关的算法可以对具有复杂几何形状的物体进行有效的三维测量。     

增生性疤痕组织与正常上皮组织FTIR光谱研究

通过对40例疤痕组织和正常皮肤组织的ETIR光谱比较分析发现,由于个体差异,其光谱均可分为三种不同类型。此外,疤痕组织中的胶原、蛋白质、核酸和脂类等生物大分子的吸收峰强度均在不同程度上高于正常皮肤组织,但两者的A_(1083)/A_(1548)并无明显差异。提示疤痕组织中的细胞仍属正常生长,治疗中不应损伤。     

DFT Investigations of Aun Nano-Clusters Supported on TiO2 Nanotubes: Structures and Electronic Properties

TiO₂ nanotubes (TiO₂NTs) are beneficial for photogenerated electron separation in photocatalysis. In order to improve the utilization rate of TiO₂NTs in the visible light region, an effective method is to use Au_n cluster deposition-modified TiO₂NTs. It is of great significance to investigate the mechanism of Au_n clusters supported on TiO₂NTs to strengthen its visible-light response. In this work, the structures, electronic properties, Mulliken atomic charge, density of states, band structure, and deformation density of Au_n (n = 1, 8, 13) clusters supported on TiO₂NTs were investigated by DMOL3. Based on published research results, the most stable adsorption configurations of Au_n (n = 1, 8, 13) clusters supported with TiO₂NTs were obtained. The adsorption energy increased as the number of Au adatoms increased linearly. The Au_n clusters supported on TiO₂NTs carry a negative charge. The band gaps of the three most stable structures of each adsorption system decreased compared to TiO₂NTs; the valence top and the conduction bottom of the Fermi level come mainly from the contribution of 5d and 6s-Au. The electronic properties of the 5d and 6s impurity orbitals cause valence widening and band gap narrowing.     

Surface anchoring energy and the first order Fréedericksz transition of a NLC cell

Many authors have suggested new forms to describe the surface anchoring energy of the liquid crystal-wall interface, replacing the Rapini-Papoular (RP) formula g s = (1/2) A sin2 theta. If the RP function is considered as the primary approximation, and a lowest order modification is included, then the surface anchoring energy can be represented by g s = (1/2) A sin2 theta(1 + zeta sin2 theta). zeta characterizes the modification to the RP formula and varies for the different energy forms. It is well known that the RP formula predicts a second order Freedericksz transition. This paper points out that the transition can be first order if the modification is taken into account, in which case at the threshold point the tilt angle of the director at the middle layer of the cell, thetam, is finite. The conditions for the existence of the first order transition are obtained; zeta < 0 is required for a first order transition. The approximate expression of the threshold field is also given.     

一种锌配合物用于炭疽生物标志物的检测

采用溶剂热合成方法,合成了一种新型金属配位聚合物{[Zn₂(L)(H₂O)(DMA)]·DMA·2.3H₂O}_n (1),其中L^4-为完全脱去质子的N,N''-二(4-羧基苄基)-5-氨基间苯二甲酸,DMA为N,N-二甲基乙酰胺。单晶X射线衍射结果显示,该配合物属于三斜晶系,空间群为P$overline{1}$,a=0.989 6(5) nm,b=1.370 5(5) nm,c=1.382 1(5) nm,α=80.067(5)°,β=76.729(5)°,γ=76.611(5)°,结构是由二维金属有机层通过π…π相互作用而扩展成的三维超分子骨架。红外光谱验证了锌离子与L^4-配体成功配位。粉末X射线衍射(PXRD)实验证实了配合物1具有较高的纯度。热重分析结果显示配合物1在室温至416.9 ℃区间内具有较好的热稳定性。在273 nm的激发光下,配合物1在437 nm处有较强的荧光发射,可以在30 s内快速检测乙醇溶液中的炭疽生物标志物——吡啶-2,6-二甲酸,具有选择性高、抗干扰能力强、检测限低(约为15 μmol·L^-1)等特点。结合PXRD图和紫外可见吸收光谱揭示了其检测机理为晶体骨架坍塌而诱导的荧光猝灭。     

Cross-flow heat transfer in fixed bed

Radial flow reactor operated at cross-flow heat transfer is focused for large scale methanol synthesis. The effects of operating conditions including the reactor inlet air temperature, the heating pipe temperature and the air flow rate on the cross-flow heat transfer were investigated and results show that the temperature profile of the area in front of the heating pipe is slightly affected by all the operating conditions. The main area whose temperature profile is influenced is located behind the heating pipe. The heat transfer direction is related to the direction of the flow. In order to obtain the basic parameters for radial flow reactor designing calculation, the dimensionless number group method was used for data fitting of the bed effective thermal conductivity and the wall heat transfer coefficient which were calculated by the mathematical model with the product of Reynolds number and Prandtl number. The comparison of experimental data and calculated values shows that the calculated values fit the experimental data satisfactorily and the formulas can be used for reactor designing calculation.