In the last decades,with the development of biological therapy,the treatment paradigms in patients with Crohn＇s disease have continuously evolved.Several studies focusing on the optimal use of both traditional immuno...In the last decades,with the development of biological therapy,the treatment paradigms in patients with Crohn＇s disease have continuously evolved.Several studies focusing on the optimal use of both traditional immunosuppressants and biological therapy have been published,investigating conventional,accelerated stepup and top-down approaches.In addition,much emphasis has been placed in recent years on the de-termination of important predictive factors that could enable early patient stratification,which would lead to a tailored management strategy.In this review,the authors try to highlight new evidence on the optimal timing,benefits,and risks of immunosupressants alone,or in combination,in patients with Crohn＇s disease.展开更多
基于密度泛函理论的第一性原理和前线轨道理论计算,通过Materials Studio 8.0软件模拟计算黄铁矿晶体结构以及(100)解理面的电子结构.探讨巯基类小分子(巯基乙酸、巯基乙醇)与水分子在黄铁矿(100)表面的吸附,研究其电子结构对抑制剂吸...基于密度泛函理论的第一性原理和前线轨道理论计算,通过Materials Studio 8.0软件模拟计算黄铁矿晶体结构以及(100)解理面的电子结构.探讨巯基类小分子(巯基乙酸、巯基乙醇)与水分子在黄铁矿(100)表面的吸附,研究其电子结构对抑制剂吸附的影响.通过对黄铁矿态密度以及布居研究结果显示:黄铁矿(100)解离面的原子态密度发生了变化,为表面活性质点提供了依据.通过研究巯基类小分子与水在黄铁矿表面的吸附发现:与水分子相比,巯基类小分子更易在黄铁矿表面吸附.通过前线轨道计算发现黄铁矿晶体中S原子对最高占据分子轨道(HOMO)的贡献要小于Fe原子的贡献,但对最低空轨道(LUMO)的贡献大于Fe原子.并且巯基类小分子与黄铁矿的相互作用强于水与黄铁矿的相互作用.模拟计算结果为进一步研发新型黄铁矿抑制剂提供理论依据.展开更多
This paper presents a series of first- and second-generation click-modified coumarin-based fluorescent probes for thiols. These molecules demonstrate high turn-on fluorescent response and good selectivity towards arom...This paper presents a series of first- and second-generation click-modified coumarin-based fluorescent probes for thiols. These molecules demonstrate high turn-on fluorescent response and good selectivity towards aromatic thiols over other relevant reac- tive sulfur species, reactive oxygen species and common nucleophiles. Moreover, probe la can detect thiols in the reduced rabbit plasma sample. Therefore, this approach provides a particularly impressive tool for detecting thiol in biological systems.展开更多
文摘In the last decades,with the development of biological therapy,the treatment paradigms in patients with Crohn＇s disease have continuously evolved.Several studies focusing on the optimal use of both traditional immunosuppressants and biological therapy have been published,investigating conventional,accelerated stepup and top-down approaches.In addition,much emphasis has been placed in recent years on the de-termination of important predictive factors that could enable early patient stratification,which would lead to a tailored management strategy.In this review,the authors try to highlight new evidence on the optimal timing,benefits,and risks of immunosupressants alone,or in combination,in patients with Crohn＇s disease.
文摘基于密度泛函理论的第一性原理和前线轨道理论计算,通过Materials Studio 8.0软件模拟计算黄铁矿晶体结构以及(100)解理面的电子结构.探讨巯基类小分子(巯基乙酸、巯基乙醇)与水分子在黄铁矿(100)表面的吸附,研究其电子结构对抑制剂吸附的影响.通过对黄铁矿态密度以及布居研究结果显示:黄铁矿(100)解离面的原子态密度发生了变化,为表面活性质点提供了依据.通过研究巯基类小分子与水在黄铁矿表面的吸附发现:与水分子相比,巯基类小分子更易在黄铁矿表面吸附.通过前线轨道计算发现黄铁矿晶体中S原子对最高占据分子轨道(HOMO)的贡献要小于Fe原子的贡献,但对最低空轨道(LUMO)的贡献大于Fe原子.并且巯基类小分子与黄铁矿的相互作用强于水与黄铁矿的相互作用.模拟计算结果为进一步研发新型黄铁矿抑制剂提供理论依据.
基金financed by grants from Shandong Natural Science Foundation (JQ201019)Independent Innovation Foundation of Shandong University,IIFSDU (2010JQ005)
文摘This paper presents a series of first- and second-generation click-modified coumarin-based fluorescent probes for thiols. These molecules demonstrate high turn-on fluorescent response and good selectivity towards aromatic thiols over other relevant reac- tive sulfur species, reactive oxygen species and common nucleophiles. Moreover, probe la can detect thiols in the reduced rabbit plasma sample. Therefore, this approach provides a particularly impressive tool for detecting thiol in biological systems.
