[Background] Today formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists,which is laborious,time-consuming an
We introduce a molecular dynamics/quantum mechanics/continuum solvent model(MD/QM/CSM,Ye et al.in Chem.Phys.Lett.,2016,648: 170)1 to investigate the microscopic binding mechanisms of host-guest system
Metalloporphyrin nitrene compounds have been engineered to catalyze C-H amination reactions.Iron as a cheap metal source and two substituent of nitrogen source(R=-CH3 and-SO3H)had been utilized to stu
Organic fluorine compounds such as freon,fluoro-liquid crystals,optical fiber,poly(tetrafluroethylene)(PTFE),pharmaceuticals and agrochemicals etc.,have received great interest and attention in divers