改良黄土强度特性与工程处置试验研究

本文针对山西朔州典型黄土,利用素黄土与石灰粉煤灰、石灰水泥、水泥粉煤灰三种改良黄土,进行了击实特性、抗剪强度特性及崩解特性试验研究,提出了黄土改良的最佳方案,并采用该方案对山西某煤矿电梯井填方段进行了数值模拟分析,验证了石灰粉煤灰改良黄土工程应用的可行性。试验结果表明:粉煤灰与黄土形成致密的混合结构,石灰的掺入,激活了粉煤灰的活性,发生了一系列的水化反应,使改良黄土的强度大大提高,改良黄土在物理力学性质方面有明显改善。     

Discovery of 4-Thiazol-N-(pyridin-2-yl)pyrimidin-2-amine as Novel Cyclin-dependent Kinases 4 and 6 Dual Inhibitors via 3D-QSAR and Molecular Simulation

Cyclin D dependent kinases 4/6 regulate the entry of cells into S phase and are effective target for the discovery of anticancer drugs.In this article,3D-QSAR modeling including comparative molecular field analysis (Co MFA) and comparative molecular similarity indices analysis fields (Co MSIA) was implemented on 52 dual CDK4/6 inhibitors.As a result,we obtained a pretty good 3D-QSAR model,which is Co MFA_CDK4 with q² to be0.543 and r² to be 0.967;Co MSIA_CDK4<...     

Discovery of Benzimidazole Derivatives as Novel Aldosterone Synthase Inhibitors:QSAR,Docking Studies,and Molecular Dynamics Simulation

Aldosterone synthase inhibitors can lessen the production of aldosterone in organisms, which effectively affecting the treatment of hypertension. A series of computational approaches like QSAR, docking, DFT and molecular dynamics simulation are applied on 40 benzimidazole derivatives of aldosterone synthase（CYP11B2） inhibitors. Statistical parameters: Q² = 0.877, R² = 0.983（Co MFA） and Q² = 0.848, R² = 0.994（Co MSIA） indicate on good predictive power o...