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Due largely to the high stability and the potential ozone‐depleting, the transformation of greenhouse gas nitrous oxide has gained much attentions. In present paper, a new insight into the deoxygenation of nitrous oxide with silane was reported by using oriented external electric field (OEEF) as a catalytic strategy. When the OEEF was employed, the reaction barrier of deoxygenation was marvelously decreased as it was oriented along the positive NO/OSi bond‐axis. Especially the field strength is 300 × 10−4 a.u., the differences are up to 22.4/18.3 kcal mol−1 as compared with that of nonfield. In addition, once the H atom in SiH4 was replaced by methyl, two reaction modes were obtained, in which the deoxygenation process was easier when the N2O captured the H atom attached to the Si atom, not attached to the C atom. Further, the solvent effects of deoxygenation reaction were also considered, but with a weak influence were obtained. [ABSTRACT FROM AUTHOR]

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Objective To determine the expression level of SLC7A11 gene (solute carrier family 7 member 11) in liver cancer and its adjacent tissues, and to understand the relationship between SLC7A11 gene and the clinical characteristics of liver cancer patients. Methods The expression level of SLC7A11 gene in 102 liver cancer tissues and their adjacent tissues was determined by semi-quantitative PCR and real-time PCR, and the relationship between SLC7A11 gene and age, sex, tumor size, HBV infection, lymph node metastasis, survival time and histological grade of liver cancer patients was analyzed. Results Semi-quantitative PCR of SLC7A11 gene in 85.0% (17/20) liver cancer tissues was significantly up-regulated compared with that in paracancerous tissues. Real-time PCR was used to detect SLC7A11 mRNA expression in 102 liver cancer and paracancerous tissues, and SLC7A11 mRNA expression was significantly up-regulated in 72.5% (74/102) liver cancer tissues (P<0.01). The average survival time of the SLC7A11 mRNA high expression group (64 cases) was 16 months, the average survival time of the low expression group was 22 months, and the survival time of the SLC7A11 mRNA high expression group was shorter (P<0.01). SLC7A11 mRNA expression was significantly up-regulated in liver cancer patients with tumors larger than 3 cm, SLC7A11 gene expression level was positively correlated with tumor size (P<0.05), but not with age, sex, HBV infection, lymph node metastasis or histological grade (all P>0.05). Conclusion SLC7A11 expression is up-regulated in hepatocellular carcinoma, which affects tumor proliferation and survival of patients, suggesting that SLC7A11 plays an important role in the occurrence and development of hepatocellular carcinoma. [ABSTRACT FROM AUTHOR]

The hydrosilylation of terminal alkyne is the most straightforward and atom‐economy method to generate α‐vinylsilane. In the present paper, the acetylene and phenylacetylene hydrosilylation reactions were firstly studied by imposing external electric field (EEF) as a catalyst at the level of ωB97XD/TZVP. The results demonstrated that the oriented negative FY direction is the optimal direction, which mostly reduced the reaction barriers. Further computations indicated that the larger the EEF, the lower the barrier. When the EEF was increased to 180 (10−4) au, the barrier height of acetylene hydrosilylation (path Q) reduced almost 20 kcal/mol. To be surprised, as the phenyl substitute used, the hydrosilylation reaction (path FQ) was largely accelerated with the barrier height lowered to 13.2 kcal/mol, which decreased about 37 kcal/mol. Hopefully, this theoretical study would provide a guide for the experiment of the hydrosilylation of alkyne as much as possible. [ABSTRACT FROM AUTHOR]