The reaction mechanism of SiCl4 with H2 has been studied theoretically using Gaussian 98 program at B3LYP/6-311G* level. Three different reaction paths (a, b, c) in the gas phase were obtained. The geometries, vibrati...The reaction mechanism of SiCl4 with H2 has been studied theoretically using Gaussian 98 program at B3LYP/6-311G* level. Three different reaction paths (a, b, c) in the gas phase were obtained. The geometries, vibrational frequencies and energies of every stagnation point in the reaction channel were calculated and the mechanisms have been confirmed. The results show that path a has an activation energy of 79.12 kcal/mol, which was considered as the main reaction path. Comparably, paths b and c have the energy barriers of 125.07 and 136.25 kcal/mol, res- pectively. The reaction rate constant was calculated by TST method over a wide temperature range of 900～1600 K, which further confirmed that path a was the main reaction channel.展开更多
目的 探讨恩替卡韦配合长效干扰素治疗乙肝的临床效果及对乙肝病毒脱氧核糖核酸(hepatitis B virus DNA, HBV-DNA)和乙肝e抗原(hepatitis B e antigen, HBeAg)转阴率的影响。方法 随机选取2021年1月—2022年12月龙岩市第二医院收治的12...目的 探讨恩替卡韦配合长效干扰素治疗乙肝的临床效果及对乙肝病毒脱氧核糖核酸(hepatitis B virus DNA, HBV-DNA)和乙肝e抗原(hepatitis B e antigen, HBeAg)转阴率的影响。方法 随机选取2021年1月—2022年12月龙岩市第二医院收治的120例乙肝患者,采取随机数表法分为两组,各60例。对照组给予恩替卡韦治疗,观察组给予恩替卡韦联合长效干扰素治疗。对比两组肝功能、HBV-DNA及HBeAg转阴率、不良反应发生率。结果 经过48周治疗后,观察组丙氨酸氨基转移酶为(34.37±5.54)U/L、天门冬氨酸氨基转移酶(35.84±7.06)U/L及总胆红素为(23.92±2.17)μmol/L低于对照组,白蛋白为(39.23±3.67)g/L高于对照组,差异有统计学意义(P<0.05);观察组HBV-DNA转阴率为88.33%,HBeAg转阴率为25.00%均高于对照组,差异有统计学意义(χ^(2)=5.208、4.675,P<0.05);两组不良反应发生率比较,差异无统计学意义(P>0.05)。结论 与单一恩替卡韦药物治疗相比,对乙肝患者实施恩替卡韦联合长效干扰素治疗,可取得更为理想的治疗效果,有效改善其肝功能,提高HBV-DNA及HBeAg转阴率,且药物安全性相对较高,加用药物治疗过程中,虽不良反应略有增加,但是均在治疗结束后1~3月内完全恢复。展开更多
基金This work was supported by the Foundation of Education Committee of Liaoning Province (No.990321076)
文摘The reaction mechanism of SiCl4 with H2 has been studied theoretically using Gaussian 98 program at B3LYP/6-311G* level. Three different reaction paths (a, b, c) in the gas phase were obtained. The geometries, vibrational frequencies and energies of every stagnation point in the reaction channel were calculated and the mechanisms have been confirmed. The results show that path a has an activation energy of 79.12 kcal/mol, which was considered as the main reaction path. Comparably, paths b and c have the energy barriers of 125.07 and 136.25 kcal/mol, res- pectively. The reaction rate constant was calculated by TST method over a wide temperature range of 900～1600 K, which further confirmed that path a was the main reaction channel.
文摘目的 探讨恩替卡韦配合长效干扰素治疗乙肝的临床效果及对乙肝病毒脱氧核糖核酸(hepatitis B virus DNA, HBV-DNA)和乙肝e抗原(hepatitis B e antigen, HBeAg)转阴率的影响。方法 随机选取2021年1月—2022年12月龙岩市第二医院收治的120例乙肝患者,采取随机数表法分为两组,各60例。对照组给予恩替卡韦治疗,观察组给予恩替卡韦联合长效干扰素治疗。对比两组肝功能、HBV-DNA及HBeAg转阴率、不良反应发生率。结果 经过48周治疗后,观察组丙氨酸氨基转移酶为(34.37±5.54)U/L、天门冬氨酸氨基转移酶(35.84±7.06)U/L及总胆红素为(23.92±2.17)μmol/L低于对照组,白蛋白为(39.23±3.67)g/L高于对照组,差异有统计学意义(P<0.05);观察组HBV-DNA转阴率为88.33%,HBeAg转阴率为25.00%均高于对照组,差异有统计学意义(χ^(2)=5.208、4.675,P<0.05);两组不良反应发生率比较,差异无统计学意义(P>0.05)。结论 与单一恩替卡韦药物治疗相比,对乙肝患者实施恩替卡韦联合长效干扰素治疗,可取得更为理想的治疗效果,有效改善其肝功能,提高HBV-DNA及HBeAg转阴率,且药物安全性相对较高,加用药物治疗过程中,虽不良反应略有增加,但是均在治疗结束后1~3月内完全恢复。
