In this work, based on experimental observations and exact theoretical predictions, the kinetic scheme of RAFT polymerization is extended to a wider range of reactions such as irreversible intermediate radical terminations and reversible transfer reactions. The reactions which have been labeled as kinetic scheme are the more probable existing reactions as the theoretical point of view. The ...

Methane is an important fuel for gas turbine and engine combustion, the most common in fundamental combustion studies. As Computational Fluid Dynamics (CFD) modeling of becomes increasingly important, so do chemical kinetic mechanisms methane combustion. Kinetic different complexity exist, aim this study to review commonly used detailed, reduced, global importance CFD In review, procedures rele...

A one-pot synthesis of (S)-(-)-propranolol is reported. Zn(NO3)2/(+)-tartaric acid catalyzed enantioselective synthesis of (S)-(-)-propranolol via kinetic resolution of key intermediate ?-naphthyl glycidyl ether with high optical and chemical yield.

In order to maintain cellular homeostasis, cellular proteins coexist in complex and variable molecular assemblies. Therefore, understanding of major physiological processes at molecular level is based on analysis of protein-protein interaction networks. Firstly, composition of the molecular assembly has to be qualitatively analyzed. In the next step, quantitative bio-chemical properties of the ...

We present a detailed structural characterization of the intermediate state populated during the folding and unfolding of the bacterial immunity protein Im7. We achieve this result by incorporating a variety of experimental data available for this species in molecular dynamics simulations. First, we define the structure of the exchange-competent intermediate state of Im7 by using equilibrium hy...

UDP-galactopyranose mutase (UGM) is a flavoenzyme that catalyzes the conversion of UDP-galactopyranose to UDP-galactofuranose, the precursor of galactofuranose (Galf). Galf is found in several pathogenic organisms, including the parasite Trypanosoma cruzi, the causative agent of Chagas' disease. Galf) is important for virulence and is not present in humans, making its biosynthetic pathway an at...

A theoretical model of a surface electrode reaction coupled with a preceding chemical reaction (surface CE electrode mechanism) is theoretically studied under conditions of square-wave voltammetry. The position and the shape of the theoretical voltammograms are function of the redox kinetic parameter k 1⁄4 ks f where ks is the standard electron exchange rate constant and f is the frequency of t...