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Wen-Yan Ji Xiao-Li Xia Xiao-Hui Ren Fang Wang Hai-Jun Wang Kai-Sheng Diao 《Structural chemistry》2013,24(1):49-54
Ab initio calculations have been performed on the complexes of CF2Cl2 with NO and SO2, and a set of stable configurations for CF2Cl2–NO and CF2Cl2–SO2 were found with no imaginary frequencies by the MP2 method. In addition, the binding energy and the NBO analysis were used to evaluate the relative stability of the complexes. The calculated results indicate that the weak interactions in the CF2Cl2–NO and CF2Cl2–SO2 systems involved are enhanced with the increase of the number of non-covalent bonds. Further studies predict that the CF2Cl2–SO2 system may play a more important role than the CF2Cl2–NO system in environmental problem because the former offers a stronger interaction than the latter. Furthermore, the non-covalent binding interactions of Cl···N and Cl···O for CF2Cl2–NO system, Cl···O, Cl···S and F···S for CF2Cl2–SO2 system, are the dominant forces, which seem to be very significant as a driving force influencing the arrangement of molecules, especially in CF2Cl2–SO2 system. 相似文献
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With the expectation of finding new and effective antitumor drugs, a series of novel N-(1H-benzo[d]imidazole-2-yl)-benzamide/benzenesulfonamide derivatives of dehydroabietic acid were synthesized and evaluated for cytotoxic activity against three human cancer cell lines (MCF-7, HeLa, and HepG2 cells) and one human normal hepatocyte cell line (LO2). As a result, a number of derivatives showed moderate to good antitumor activities. Among them, compound 8h exhibited the most potent activities against three cancer cell lines with IC50 values of 0.87 ± 0.18, 9.39 ± 0.72, and 8.31 ± 0.64 μM, respectively, and was less active to normal hepatocyte LO2 cells. Further mechanism studies revealed that compound 8h could arrest the cell cycle of MCF-7 cells at S phase and induce the apoptosis of MCF-7 cells in ROS-mediated mitochondrial pathway. 相似文献
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Hong-Jun Yang Chen-Qiong Chai Yong-Kang Zuo Jin-Feng Huang Yi-Ye Song Li Jiang Wen-Yan Huang Qi-Min Jiang Xiao-Qiang Xue Bi-Biao Jiang 《高分子科学》2020,(3):231-239,I0005
Phosphazene base,t-BuP2,was employed to catalyze the proton transfer polymerization(PTP)of 2-hydroxyethyl acrylate(HEA),and PTP was further combined with ring-opening polymerization(ROP)to exploit a new type of hybrid copolymerization.The studies on homopolymerization showed that t-BuP2 was a particularly efficient catalyst for the polymerization of HEA at room temperature,giving an excellent monomer conversion.Throughout the polymerization,transesterification reactions were unavoidable,which increased the randomness in the structures of the resulting polymers.The studies on copolymerization showed that t-BuP2 could simultaneously catalyze the hybrid copolymerization via the combination of PTP and ROP at 25°C.During copolymerization,HEA not only provided hydroxyl groups to initiate the ROP ofε-caprolactone(CL)but also participated in the polymerization as a monomer for PTP.The copolymer composition was approximately equal to the feed ratio,demonstrating the possibility to adjust the polymeric structure by simply changing the monomer feed ratio.This copolymerization reaction provides a simple method for synthesizing degradable functional copolymers from commercially available materials.Hence,it is important not only in polymer chemistry but also in environmental and biomedical engineering. 相似文献
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2-溴-4-[1-(E)-亚乙基-2-对甲氧基苯基-丁基]-1-甲氧基苯(3)是在合成3’-甲氧基己烯雌酚(2)过程中获得的意外羟基消除产物. 报道了2-溴-4-[1-(E)-亚乙基-2-对甲氧基苯基-丁基]-1-甲氧基苯在不同条件下的脱甲基反应产物以及双键转位反应的情况. 部分重要中间体的人脐静脉内皮细胞(HUVEC)抑制活性结果显示, 己烯雌酚骨架上的基团对该类化合物的抑制新生血管生成活性具有显著的影响, 甲氧基为活性有利基团, 而酚羟基全部游离时化合物没有活性. 相似文献
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采用水合肼(N2H4·H2O)作为还原剂,在液相环境中制备了自掺杂TiO2纳米管阵列(NTs)。利用FE-SEM、EDS、XPS、XRD、Raman、UV-Vis/NIR分光光度法以及半导体特性分析系统(Keithley 4200 SCS)分别对样品的形貌,晶体结构,光学特性以及电学性能进行了表征。结果表明:通过这种方法制备的自掺杂TiO2NTs在带隙中引入了大量的氧空位,创造了氧空位能级,从而提高了样品的电导率,有效提高光生电子-空穴对的产生、分离和传输。此外,由于氧空位的作用,使得TiO2NTs的带隙变窄,增强了可见光吸收能力,致使样品具有较高的光催化活性,并通过降解甲基橙溶液对样品的光催化活性进行评估。结果显示当光照150min后,自掺杂TiO2NTs对甲基橙溶液的降解率达73%,并且这种催化剂便于回收和重复使用。 相似文献
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The production and transportation of fluorescent light produced in wavelength-shifting fibers (WSFs) coupled to YAP scintillation crystal is simulated using the GEANT4 codes.An advantage of the wavelength-shifting fiber readout technique over a direct readout with a position-sensitive photo-sensor is the reduced requirement for position sensitive photomultiplier tube photocathode area.With this gamma-ray detector,the gamma camera is small and flexible and has larger effective field of view and low cost.Simulation results show that a) a mean 12 of photons per 59.5 keV gamma ray interaction is produced in the WSF located nearest to the incident gamma ray,and a spatial resolution of 3.6 mm FWHM is obtained,b)a mean 27 of photons per 140 keV gamma ray interaction is produced and a spatial resolution of 3.1 mm FWHM is obtained.Results demonstrate the feasibility of this concept of a compact gamma-ray detector based on wavelength-shifting fibers readout.However,since the very low photoelectron levels,it is very important to use a photon counting device with good single photo-electron response to readout the WSFs. 相似文献
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