The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to character...The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to characterize its structural and electronic properties.Its geometry,electronic properties,vibrational frequencies and heat of formation have been calculated at the B3LYP/6-311＋G（d,p） level of theory.The absence of imaginary vibrational frequency confirms that it corresponds to true minimum on the potential energy hypersurface.Its vibrational bands in the IR intensity have been discussed and compared with future experimental identification.At the B3LYP/6-311＋G（d,p） level,the heat of formation has been calculated to be 720.9 kJ mol^-1 using the isodesmic reaction.According to this value,it is a potential high energy density molecule.展开更多
文摘目的:探讨幽门螺杆菌(Hpylori)感染时胃黏膜组织中核因子-κB(NF-kB)p65蛋白、IL-8及环氧合酶-2(COX-2) mRNA和蛋白的表达间的关系. 方法:采集Hpylori阴性慢性胃炎18例和Hpylori阳性慢性胃炎38例患者的胃黏膜活检标本,采用免疫组化法和原位杂交法检测胃黏膜中NF-kB p65蛋白、IL-8及COX-2 mRNA和蛋白的表达情况. 结果:NF-kBp65,IL-8和COX-2主要表达于胃黏膜上皮细胞,固有层炎性细胞也有不同程度的表达.Hpylori阳性胃黏膜中p65蛋白,IL-8及COX-2 mRNA和蛋白的表达较Hpylori阴性组显著增强(5.6±3.3 vs 3.0±2.5,3.7±2.6 vs 1.1±1.3,3.9±2.9 vs 1.9±1.6,3.0±2.4 vs 1.5±1.1, 2.8±2.3 vs 1.0±0.7,P<0.01),三者的表达均与胃黏膜炎症程度之间具有显著相关性(P<0.01);胃黏膜NF-kB p65 蛋白表达与IL-8及COX-2 mRNA和蛋白的表达均呈正相关关系(rs别为0.690,0.709,0.448,0.480,P<0.01). 结论:Hpylori感染导致胃黏膜NF-kB p65,IL-8及COX-2 表达增加,NF-kB可能通过调控IL-8和COX-2的表达, 参与了Hpylori相关性胃炎的病理生理过程.
基金supported by the Natural Science Foundation of Shandong Province (No. ZR2011BM022)
文摘The molecule with Th symmetry is rare.A dodecahedrane-like molecule C12H12B8 with uncommon Th symmetry has been reported here.Density functional calculations and minimization techniques have been employed to characterize its structural and electronic properties.Its geometry,electronic properties,vibrational frequencies and heat of formation have been calculated at the B3LYP/6-311＋G（d,p） level of theory.The absence of imaginary vibrational frequency confirms that it corresponds to true minimum on the potential energy hypersurface.Its vibrational bands in the IR intensity have been discussed and compared with future experimental identification.At the B3LYP/6-311＋G（d,p） level,the heat of formation has been calculated to be 720.9 kJ mol^-1 using the isodesmic reaction.According to this value,it is a potential high energy density molecule.
