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排序方式: 共有206条查询结果,搜索用时 171 毫秒
1.
Lei Wang Man Zhang Ying‐Ying Jin Qing Lu Qi Fang 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(1):69-74
Three 1‐phenylindolin‐2‐one derivatives, namely 1‐phenylindolin‐2‐one, C14H11NO, (I), 5‐bromo‐1‐phenylindolin‐2‐one, C14H10BrNO, (II), and 5‐iodo‐1‐phenylindolin‐2‐one, C14H10INO, (III), have been synthesized and their structures determined. Compounds (I) and (II) crystallized in the centrosymmetric space groups Pbca and P21/c, respectively, while compound (III) crystallized in the polar space group Aea2. Density functional theory (DFT) calculations show that the molecular dipole moment gradually decreases in the order (I) > (II) > (III). The relatively smaller dipole moment of (III) and the larger non‐electrostatic intermolecular interactions may be the main reasons for the noncentrosymmetric and polar structure of (III). 相似文献
2.
Dr. Kyohei Otsuka Naozumi Matsumoto Dr. Shintaro Ishida Prof. Dr. Soichiro Kyushin 《Angewandte Chemie (International ed. in English)》2015,54(27):7833-7836
The radical anion of octa‐tert‐butyloctasilacubane was generated and isolated. The EPR spectrum showed the satellites due to the tertiary 13C nuclei of the eight tert‐butyl groups. The X‐ray crystallographic analysis showed that the Si? Si bonds are shortened and the Si? C bonds are elongated compared with those of octa‐tert‐butyloctasilacubane. These results are well explained by the distribution of an unpaired electron in the singly occupied molecular orbital (SOMO). 相似文献
3.
Identification of a β1/β2‐Specific Sulfonamide Proteasome Ligand by Crystallographic Screening 下载免费PDF全文
Dr. Philipp Beck Prof. Dr. Michèle Reboud‐Ravaux Prof. Dr. Michael Groll 《Angewandte Chemie (International ed. in English)》2015,54(38):11275-11278
The proteasome represents a validated drug target for the treatment of cancer, however, new types of inhibitors are required to tackle the development of resistant tumors. Current fluorescence‐based screening methods suffer from low sensitivity and are limited to the detection of ligands with conventional binding profiles. In response to these drawbacks, a crystallographic screening procedure for the discovery of agents with a novel mode of action was utilized. The optimized workflow was applied to the screening of a focused set of compounds, resulting in the discovery of a β1/β2‐specific sulfonamide derivative that noncovalently binds between subunits β1 and β2. The binding pocket displays significant differences in size and polarity between the immuno‐ and constitutive proteasome. The identified ligand thus provides valuable insights for the future structure‐based design of subtype‐specific proteasome inhibitors. 相似文献
4.
各向异性晶体滑移有限元程序及其应用 总被引:4,自引:1,他引:4
本文全面介绍了各向异性晶体滑移结构强度和蠕变分析有限元程序的原理、功能特点及其在镍基单晶涡轮叶片中的应用实例。 相似文献
5.
6.
J. C. P. Pina A. M. Dias P. F. P. de Matos P. M. G. P. Moreira P. M. S. T. de Castro 《Experimental Mechanics》2005,45(1):83-88
In this paper we present the methods of determination and the stress obtained at the periphery of a cold expanded hole in
a 2024-T3 Alclad aluminum alloy sheet. The measurements in the aluminum clad were performed by the sin2Ψ method, taking experimental precautions to deal with the texture effects. In the core aluminum a special method had to be
implemented to determine the stress values in a direction not accessible to the X-ray diffraction. The strains were measured
in sample orientations selected according to the texture characteristics and stress factorsF
ij
were used to calculate the stress tensor. TheF
ij
values were determined assuming a quasi-isotropic material behavior, after concluding that the stress results were not significantly
affected by factors calculated for textured material. The residual stress profile, both in the clad and in the sheet, shows
a nearly axisymmetric stress state. Compressive stresses were observed near the periphery of the hole, with values that are
higher on the exit than on the entrance face. Residual stresses were also higher in the hoop direction than in the radial
direction. They decreased with the radial distance to the hole and affected the previous stress state over a distance of 6
mm. The plastic deformation induced by the cold expansion is well evidenced by the FWHM values, which in the affected zone
decrease with increasing distance from the hole edge. 相似文献
7.
Coy L. May 《代数通讯》2013,41(11):4078-4095
Let G be a finite group. The symmetric genus σ (G) is the minimum genus of any compact Riemann surface on which G acts faithfully as a group of automorphisms. Here we classify the groups of symmetric genus σ, for all values of σ such that 4 ≤ σ ≤ 8. In addition, we obtain some general results about the partial presentations that groups acting on surfaces must have. We show that a group with even genus and no “large order” elements in its Sylow 2-subgroup has restrictions on its Sylow 2-subgroup. As a consequence, we show that if G is a 2-group with positive symmetric genus, then σ(G) is odd. The software package MAGMA was employed to help with the calculations, and the MAGMA library of small groups was essential to the classification. 相似文献
8.
Shigeyasu Kuroda Rie KasaiRyo Nagaya Ryuta MiyatakeYoshikazu Horino Naoko MatsumotoMitsunori Oda 《Tetrahedron letters》2011,52(13):1426-1429
3,10-Dipyrrolidinyl-4,9-methanothia[11]annulene reacts with excess dimethyl acetylenedicarboxylate (DMAD) in refluxing toluene to give ring-enlarged 6,11-methanothia[15]annulene. X-ray crystallographic analysis of the product shows two different cis,trans-dienyl parts in the ring system. Product formation possibly involves π-facial selective addition of the enamine with DMAD and torque-selective ring opening of the intermediate cyclobutenes. 相似文献
9.
Effects of substrate and transfer on CVD-grown graphene over sapphire-induced Cu films 总被引:1,自引:0,他引:1
HU BaoShan WEI ZiDong AGO Hiroki JIN Yan XIA MeiRong LUO ZhengTang PAN QingJiang LIU YunLing 《中国科学:化学(英文版)》2014,57(6):895-901
We differentiated the effects of Cu films deposited on single crystalline a-,r-,and c-plane sapphire substrates upon graphene films synthesized with atmospheric pressure chemical vapor deposition(CVD).The data illustrate that the realization of high-crystalline Cu film is dependent not only on the crystallinity of underlying substrate,but also on the symmetric match of crystallographic geometry between metal film and substrate.We also systematically investigated the effects of PMMA removal on the Raman ID/IG and IG/I2D values of transferred graphene.The results reveal that different PMMA removal methods do not alter the ID/IG values;instead,the residue of PMMA increases the IG/I2D values and the thermal decomposition of PMMA leads to higher IG/I2D values than the removal of PMMA with acetone.The effects of PMMA removal on variations of the Raman spectra are also discussed. 相似文献
10.
采用微弧氧化和热处理复合技术,在钛表面制备了具有双层结构的榍石/氧化钛复合涂层。榍石/氧化钛复合涂层的外层是由微弧氧化涂层经热处理后晶化生成;而内层是由钛基底的氧化生成,并且氧化钛表现出不同的Ti,O原子比。由于钛基底的氧化,孔径在50~500 nm的微孔呈层状结构分布在涂层内层。与微弧氧化涂层相比,该复合涂层具有很好的磷灰石诱导能力,这是由于榍石沿着特定晶面和晶向与羟基磷灰石表现出良好的晶体学匹配关系,从而为磷灰石的成核和取向沉积过程提供良好的位点。 相似文献