introduction: the purpose of this study is the evaluation of the amount of surface roughness (ra) of zirconia ceramic following different surface treatments as well as the assessment of its shear bond strength to composite resin. methods: 40 sintered zirconia ceramic block samples were randomly divided in 4 groups of 10 and underwent the following surface treatments: a) control group without tr...

Using magnetic relaxation dispersion (MRD), we have previously shown that the four internal water molecules in bovine pancreatic trypsin inhibitor (BPTI) exchange with bulk water on time scales between 10(-8) and 10(-4) s at room temperature. Because this exchange is controlled by the protein structure, internal water molecules can be used to probe rare conformational fluctuations. Here, we rep...

A rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles via C-H bond activation is described. This transformation offers an alternative method for the hydroarylation of internal alkynes with high stereoselectivity. The reaction mechanism was discussed according to the deuterium-labeling experiments.

For many biological applications of molecular dynamics (MD) the importance of good sampling in conformational space makes it necessary to eliminate the fastest motions from the system in order to increase the time step. An accurate knowledge of these motions is a necessary prerequisite for such efforts. It is known that harmonic vibrations of bond lengths and bond angles produce the highest fre...

Θ-Problem: the interplay of microwave spectroscopy and quantum chemistry to explore soft degree freedom around a carbonyl bond methyl internal rotation.

The bleeding of cementitious materials corresponds to the settlement granular skeleton accompanied by accumulation water at surface (bleed water). Part this (internal bleeding) remains trapped under aggregates (sand or gravel) reinforcements. excess can weaken bond between matrix and (or reinforcements), which affects mechanical performance durability material. This study aims investigate effec...