燃用天然气合成油增压柴油机特性研究

在一台增压中冷柴油机上分别燃用常规柴油与代用燃料天然气合成油(GTL),供油提前角分别设为上止点前9°和12°CA,对比研究了燃用这两种燃料的柴油机动力性、经济性、燃烧和排放特性.与柴油相比,燃用GTL的柴油机有效功率和转矩不变,有效燃油油耗率降低,有效热效率相当;GTL的最高燃烧压力和放热率峰值均略低,GTL的着火时刻、缸压和放热率峰值出现时刻均略晚,燃烧持续期略长;与柴油相比,在试验工况下GTL平均降低了16.6%HC、14.5%CO、15.7%碳烟和15.1%NOx排放.试验结果显示GTL是一种有潜力的低排放代用燃料.     

3D-QSAR and Surflex Docking Studies of a Series of Alkaline Phosphatase Inhibitors

Alkaline phosphatases(APs) include the placental AP(PLAP), germ cell AP(GCAP), intestinal AP(IAP) and tissue nonspecific AP(TNAP). Over expression of TNAP in smooth muscle cells of kidney and vessels provokes the progress of such serious diseases as end-stage renal disease, idiopathic infantile arterial calcification, ankylosis, osteoarthritis and diabetes. In order to design and optimize the potent TNAP inhibitors, comparative molecular field analysis(CoMFA) and comparative molecular similarity indices analysis(CoMSIA) were used to analyze 3D structure-activity relationships(3D-QSAR) of TNAP inhibitors. The 3D-QSAR model(CoMFA with q~2 = 0.521, r~2 = 0.930; CoMSIA with q~2 = 0.529, r~2 = 0.933) had a good predictability. Surflex-dock was used to reveal the binding mode between the inhibitors and TNAP protein. CoMFA, CoMSIA and docking results provide guidance for the discovery of TNAP inhibitors. Finally, eight new compounds as potential TNAP inhibitors were designed.