继2011年关于烟酸升高高密度脂蛋白胆固醇（HDL-C）的AIM-HIGH研究未获预期的获益结果公布后,2013年美国心脏病学学会（ACC）年会上,研究者再次揭晓了受到广泛关注的心脏保护研究2—治疗高密度脂蛋白以降低血管事件（Heart Protection S...继2011年关于烟酸升高高密度脂蛋白胆固醇（HDL-C）的AIM-HIGH研究未获预期的获益结果公布后,2013年美国心脏病学学会（ACC）年会上,研究者再次揭晓了受到广泛关注的心脏保护研究2—治疗高密度脂蛋白以降低血管事件（Heart Protection Study 2 Treatment of HDL to Reduce the Incidence of Vaseular Events,HPS2-THRIVE）的研究结果,2014年7月在《新英格兰医学杂志》正式发表[1]。展开更多
The potential energy surface of HPS2 system containing nine isomers and fifteen transition states is obtained at MP2/6-311++G(d, p) and QCISD(t)/6-311++G(3df, 2p)(single-point) levels. On the potential energy surface,...The potential energy surface of HPS2 system containing nine isomers and fifteen transition states is obtained at MP2/6-311++G(d, p) and QCISD(t)/6-311++G(3df, 2p)(single-point) levels. On the potential energy surface, the lowest-lying frans-HSPS(EI) is found to be thermodynami-cally the most stable isomer followed by cis-HSPS(E2) and HP(S)S(C2v, E3) at 3.43 and 14.17 kJ/mol higher, respectively. The computed results show that species E1, E2, E3, stereo HP(S)S(Cs, E4) with PSS three-membered ring, isomers trans-HPSS(E5) and cis-HPSS(E6) which coexist with E4 are kinetically stable isomers. The products E6 and E5 in the reaction of HP with S2 can be isomerized into higher kinetic stable isomer E4 with 65.75 and 71.73 kJ/mol reaction barrier height, respectively. The predicated results may correct the possible inaccurate conclusion in that the product was experimentally assigned as isomer cis-HPSS(E6).展开更多
文摘继2011年关于烟酸升高高密度脂蛋白胆固醇（HDL-C）的AIM-HIGH研究未获预期的获益结果公布后,2013年美国心脏病学学会（ACC）年会上,研究者再次揭晓了受到广泛关注的心脏保护研究2—治疗高密度脂蛋白以降低血管事件（Heart Protection Study 2 Treatment of HDL to Reduce the Incidence of Vaseular Events,HPS2-THRIVE）的研究结果,2014年7月在《新英格兰医学杂志》正式发表[1]。
基金This work was supported by the National Natural Science Foundation of China (Grant Nos.20171015 and 20171016) the Natural Science Foundation of Heilongjiang Province of China (Grant Nos. E00-16 and B00-06) the Science Foundation for Excellent Youth
文摘The potential energy surface of HPS2 system containing nine isomers and fifteen transition states is obtained at MP2/6-311++G(d, p) and QCISD(t)/6-311++G(3df, 2p)(single-point) levels. On the potential energy surface, the lowest-lying frans-HSPS(EI) is found to be thermodynami-cally the most stable isomer followed by cis-HSPS(E2) and HP(S)S(C2v, E3) at 3.43 and 14.17 kJ/mol higher, respectively. The computed results show that species E1, E2, E3, stereo HP(S)S(Cs, E4) with PSS three-membered ring, isomers trans-HPSS(E5) and cis-HPSS(E6) which coexist with E4 are kinetically stable isomers. The products E6 and E5 in the reaction of HP with S2 can be isomerized into higher kinetic stable isomer E4 with 65.75 and 71.73 kJ/mol reaction barrier height, respectively. The predicated results may correct the possible inaccurate conclusion in that the product was experimentally assigned as isomer cis-HPSS(E6).
