Peptide bond formation on the ribosome takes place in an active site composed of RNA. Recent progress of structural, biochemical, and computational approaches has provided a fairly detailed picture of the catalytic mechanism of the reaction. The ribosome accelerates peptide bond formation by lowering the activation entropy of the reaction due to positioning the two substrates, ordering water in...

Starting from the detailed catalytic mechanism of a biocatalyst we provide a coarse-graining procedure which, by construction, is thermodynamically consistent. Œis procedure provides stoichiometries, reaction ƒuxes (rate laws), and reaction forces (Gibbs energies of reaction) for the coarse-grained level. It can treat active transporters and molecular machines, and thus extends the applicabilit...

In the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of NH-acid, such as 5-aminoindazole 3 were investigated theoretically. Quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. The first step of ...

We present a study of the self-reaction C2H5O2 and its cross-reaction with HO2 VUV photoionization mass spectrometry. Hefei synchrotron radiation krypton discharge lamp are combined to ionize species. Key products including CH3CHO, C2H5OH, C2H5O C2H5OOH formed from reactions directly observed confirmed. In particular, radical product is detected for first time. The ionization energies determine...