In this study we have tested the ability of a standard DFT computational protocol to reproduce the experimentally obtained stereoselectivity of 26 different C2-symmetric zirconocene catalysts active in propylene polymerization. The catalysts were chosen for their relevance in metallocene catalyzed polymerization of propylene. To this end, primary insertion of both si- and re-propylene enantiofa...

Nanosheets of MFI zeolite were successfully synthesized by hydrothermal method and were properly characterized by XRD, FE-SEM, EDX-dot mapping, TEM, FT-IR, N2 adsorption/desorption, NH3-TPD, ICP-AES and TGA techniques. The characterizations of MFI zeolite nanosheets suitably confirmed well synthesized MFI nanostructure, superior specific surface area (695.96m2.g-1) and great mesopores volume. C...

(Abridged) Life is distinctly homochiral. The origins of this homochirality are under active debate. Recently, propylene-oxide has been detected in the gas-phase interstellar medium (ISM) (McGuire et al. 2016). enantiomeric composition ISM may be probed through circular polarization measurements, but accurate estimates dichroism properties microwave transitions not available. We develop a model...

Conventional solid metal catalysts, usually synthesized using wet impregnation strategies, are almost always quasi-spherical particles mainly terminated by low-energy surface facets, such as the (111) surface for fcc crystals and the (0001) surface for hcp crystals, and supported on high surface area materials. The diameter of these metal particles is from a few tens to a few hundreds of nanome...

Treatment with ethinyl estradiol is known to impair bile formation, bile acid transport and Na,K-ATPase activity, to alter receptor-mediated endocytosis and transcytosis of IgA and asialoorosomucoid and to affect membrane lipid composition and fluidity. Because appropriate sorting and trafficking of asialoorosomucoid requires adequate acidification of endocytic vesicles by a lipid-sensitive ele...