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991.
《Journal of Polymer Science.Polymer Physics》2018,56(3):225-238
Structural evolution of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution via hot stretching process was investigated by in situ small‐angle X‐ray scattering, in situ wide‐angle X‐ray diffraction measurements, scanning electron microscopy, and differential scanning calorimetry. With the increase of stretching strain, the long period continuously increases at relative lower stretching temperature, while it first increases and then decreases rapidly at relative higher stretching temperature. The kebab thickness almost keeps constant during the whole hot‐stretching process and the kebab diameter continually decreases for all stretching temperatures. Moreover, the length of shish decreases slightly and the shish quantity increases although there is almost no change in the diameter of shish crystals during the hot stretching process. The degree of crystal orientation at different temperatures is as high as above 0.9 during the whole stretching process. These results indicate that the shish‐kebab crystals in ultra‐high molecular weight polyethylene fibers can transform continuously into the micro‐fibril structure composed mostly of shish crystals through the hot stretching process. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56, 225–238 相似文献
992.
Using the phase field crystal approach, the crystallization process within the liquid–solid coexistence region is investigated for a square lattice on an atomic scale. Two competing growth modes, i.e., the diffusion-controlled growth through long-range atomic migration in liquid and the diffusionless growth through local atom rearrangement, which give rise to two completely different crystallization behaviors, are compared. In the diffusion-controlled regime, the interface migrates in a layerwise manner, leading to a gradual change of crystal morphology from truncated square to four-fold symmetric dendrite with the increase of driving force. For the diffusionless growth mode, a single crystal with no significant density change occupies the whole system at a faster rate while exhibiting a small growth anisotropy. The competition between these two modes is also discussed from the key input of the phase field crystal model: the correlation function. 相似文献
993.
Aleksandar Kremenovi Predrag Vuli 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(3):256-259
The X‐ray powder diffraction pattern that corresponds to the disordered state of kalsilite (potassium aluminium orthosilicate), KAlSiO4, is investigated. The directionality of (Al,Si)O4 tetrahedra within single six‐membered tetrahedral ring building units (S6R) could not be defined. With equal probability for the directionality of each tetrahedra within one S6R [free apex pointing up (U) or down (D)], an undefined sequence of U and D directionalities is needed to describe the S6R building units. The extinction conditions of disordered kalsilite are also different compared to ordered kalsilite within the space group P63. In disordered kalsilite, h0l and hhl reflections with l = 2n + 1 are systematically absent. 相似文献
994.
Two new coordination complexes based on benzimidazole dicarboxylic acid, Zn(Hbidc)?H2O ( 1 ) and Cd(Hbidc)(H2O) ( 2 ), have been synthesized under hydrothermal conditions. The complexes were characterized using elemental analysis, infrared and UV–visible spectroscopies, powder X‐ray diffraction, thermogravimetry and single‐crystal X‐ray diffraction. Structural analyses showed that the crystal structures of 1 and 2 are different, due to the various modes of linking of the benzimidazole dicarboxylic acid. Complex 1 has a two‐dimensional network structure and 2 has a three‐dimensional network structure. In addition, we studied the performance of the fluorescence response of two complexes. Results showed that the complexes can be used as chemical sensors for multifunctional testing, such as for UO22+, xanthine and Fe3+ ions. Even if the concentration is very low, they could also be detected, showing that coordination complexes 1 and 2 have very high fluorescence sensitivity. The detection limit for UO22+ is 5.42 nM ( 1 ) and 0.02 nM ( 2 ), that for xanthine is 1.37 nM ( 1 ) and 0.28 nM ( 2 ), and that for Fe3+ ions is 0.76 nM ( 1 ) and 0.62 nM ( 2 ). 相似文献
995.
Self‐assembly of a resorcin[4]arene‐based ligand (TMR4A) with metal salts and H3PMo12O40·xH2O offers two isostructural complexes, namely, [Ni2Cl(TMR4A)2(CH3CN)2]·[PMo12O40]·4CH3CN ( 1 ) and [Co2Cl(TMR4A)2(CH3CN)2]·[PMo12O40]·4CH3CN ( 2 ). In both 1 and 2 , one Cl? anion bridges two metal cations, and each metal cation is further chelated by four 2‐mercaptopyridine N‐oxide groups of one TMR4A, producing a [M2Cl(TMR4A)2]3+ dimer (M = Ni or Co). The negative [PMo12O40]3? as a counter‐anion balances the positive charge. Markedly, 1 and 2 exhibit high stability in aqueous solutions with different pH values and in organic solvents. Remarkably, the efficient heterogeneous catalytic capability for oxidative desulfurization was studied by suing 1 and 2 as recycled catalysts. Moreover, the electrochemical behaviors of the two compounds were discussed as well. 相似文献
996.
Yanni Lv Xianpeng Shi Jia Fu Qianqian Jia Yuanyuan Lin Hongying Wang Xin Yang Shengli Han 《Biomedical chromatography : BMC》2019,33(9)
Marsdenia tenacissima, or Tongguanteng in Chinese, is a traditional Chinese herb and has a broad application in clinical practice for its pharmacological effects of treating asthma, pneumonia, tonsillitis, pharyngitis tumors, etc. However, few studies have reported the screening of the active components of this medicine for tumor therapy. In this work, a two‐dimensional analytical system was developed to screen antagonists of epidermal growth factor receptor (EGFR) from M. tenacissima. A fraction was retained on the EGFR cell membrane chromatography (CMC) column, separated and identified as tenacissoside G (TG), tenacissoside H (TH) and tenacissoside I (TI) by two‐dimensional HPLC–IT–TOF–MS. Molecular docking and 3‐(4,5‐dimethyl‐2‐thiazolyl)‐2,5‐diphenyl‐2‐H‐tetrazolium bromide (MTT) assay were carried out to assess the activity of TS (including TG, TH and TI). Molecular docking results showed that the binding mode of TS on EGFR is similar to that of gefitinib. The MTT assay demonstrated that gefitinib and TS (especially TI) could inhibit the growth of EGFR highly expressed cell lines in a dose‐dependent manner in the range of 5–50 μmol/L. In conclusion, the two‐dimensional EGFR/CMC–HPLC–IT–TOF–MS system could be a useful approach in drug discovery from traditional Chinese medicines for searching for potential antitumor candidates. 相似文献
997.
Three multinuclear Cu (II), Zn (II) and Cd (II) complexes, [Cu2(L)(μ‐OAc)]·CHCl2 ( 1 ), [Zn2(L)(μ‐OAc)(H2O)]·3CHCl3 ( 2 ) and [{Cd2(L)(OAc)(CH3CH2OH)}2]·2CH3CH2OH ( 3 ) with a single‐armed salamo‐like dioxime ligand H3L have been synthesized, and characterized by FT‐IR, UV–vis, X‐ray crystallography and Hirshfeld surfaces analyses. The ligand H3L has a linear structure and C‐H···π interactions between the two molecules. The complex 1 is a dinuclear Cu (II) complex, Cu1 and Cu2 are all five‐coordinate possessing distorted square pyramidal geometries. The complex 2 also forms a dinuclear Zn (II) structure, and Zn1 and Zn2 are all five‐coordinate bearing distorted trigonal bipyramidal geometries. The complex 3 is a symmetrical tetranuclear Cd (II) complex, and Cd1 is a hexa‐coordinate having octahedral configuration and Cd2 is hepta‐coordinate with a pentagonal bipyramidal geometry, and it has π···π interactions inside the molecule. In addition, fluorescence properties of the ligand and its complexes 1 – 3 have also been discussed. 相似文献
998.
The crystal structure of a novel interrupted aluminosilicate, CNU-1, was synthesized hydrothermally at 433 K and was found to have a hexagonal crystal system, P-62c, in which an unusual T–O–T angle of 180°, similar to that of MWW, was discovered. Further, one of the hydroxyl groups in the interrupted structure was disordered systematically. 相似文献
999.
Four Zn(II) complexes, [Zn L 2(SO4)]n ( 1 ), [Zn L 4(H2O)2]?2(NO3)?4EtOH ( 2 ), [Zn L 2Cl2]? L ( 3 ), and [Zn L 2Br2]? L ( 4 ) ( L = uniconazole), were synthesized using a hydrothermal method and characterized by elemental analysis, FT‐IR spectroscopy, and single‐crystal XRD. Complex 1 formed a one‐dimensional polymer chain. However, complexes 2 ‐ 4 were obtained as zero‐dimensional mononuclear coordination compounds. The antifungal activities of these complexes were then evaluated against four selected fungi using the mycelial growth rate method. The resulting data indicate that all complexes show better antifungal activities than their ligands and mixtures. In addition, the interactions between the metal salts of complexes 1 ‐ 4 and uniconazole seem to be synergistic. Furthermore, the polymer chain structure of complex 1 significantly enhanced the bioactivity, especially against Botryosphaeria ribis ( I ). Density functional theory (DFT) calculations were carried out to help explain the enhanced bioactivity after the formation of Zn(II) complexes. The resulting data show that the HOMO–LUMO energy gaps of complexes 1 ‐ 4 (0.0578, 0.0946, 0.1053, and 0.1245 eV) are smaller than that of the free ligand (0.1247 eV) and correlate with the antifungal activity of the zinc complexes. 相似文献
1000.
We develop a variational optimization method for crystal analysis in atomic resolution images, which uses information from a 2D synchrosqueezed transform (SST) as input. The synchrosqueezed transform is applied to extract initial information from atomic crystal images: crystal defects, rotations and the gradient of elastic deformation. The deformation gradient estimate is then improved outside the identified defect region via a variational approach, to obtain more robust results agreeing better with the physical constraints. The variational model is optimized by a nonlinear projected conjugate gradient method. Both examples of images from computer simulations and imaging experiments are analyzed, with results demonstrating the effectiveness of the proposed method. 相似文献