Antonio Vittoria

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Quenched-flow studies of MgCl2 -supported Ziegler-Natta catalysts were combined for the first time with (13) C NMR fingerprinting of the nascent polymer and conclusively proved that, depending on the catalyst formulation, propene polymerization can be slowed down significantly by the occurrence of the few regiodefects (2,1 monomer insertions), changing(More)
The results of the GRID-Comparative Molecular Field Analysis (CoMFA) were compared with those of the SYBYL-CoMFA in a study of benzodiazepines. The results demonstrate that the hydrogen bonding function using the GRID H2O probe in a CoMFA can successfully describe the hydrophobic effects of substituents without any bias or preconcept of their effects in the(More)
An example of a CoMFA study is described with the aim to discuss one of the major problems of this 3D QSAR method: lack of variable selection. It is shown that the use of nonrelevant energy parameters might produce CoMFA contour maps which poorly reflect the actual nature of the binding site and are in part statistical artefacts. The data set employed in(More)
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