Recently, the chemistry of element (0) compounds has attracted the attention of both experimental and theoretical chemists. In this article, some new Si(0) and Ge(0) compounds stabilized by different silylene and germylene ligands are studied theoretically by applying quantum chemical calculations and topography mapping of molecular electrostatic potential (MESP). These compounds are found to h...

The proton concentration in the medium affects the maximal velocity of sugar uptake with a K(m) of 0.3 mM (high affinity uptake). By decreasing the proton concentration a decrease in high affinity sugar uptake is observed, in parallel the activity of a low affinity uptake system (K(m) of 50 mM) rises. Both systems add up to 100%. The existence of the carrier in two conformational states (proton...

The proton concentration in the medium affects the maximal velocity of sugar uptake with a Km of 0.3 mM (high affinity uptake). By decreasing the proton concentration a decrease in high affinity sugar uptake is observed, in parallel the activity of a low affinity uptake system (K, of 50 mM) rises. Both systems add up to 100 %. The existence of the carrier in two conformational states (protonate...

Benchmark calculations of proton affinities and gas-phase basicities of molecules most relevant to biological phosphoryl transfer reactions are presented and compared with available experimental results. The accuracy of proton affinity and gas-phase basicity results obtained from several multi-level model chemistries (CBS-QB3, G3B3, and G3MP2B3) and density-functional quantum models (PBE0, B1B9...

We review recent progress made in the theory of quarkonium production in hadronic collisions. CERN-TH/95-190 July 1995 To appear in the Proceedings of the Xth Topical Workshop on Proton–Antiproton Collider Physics, Batavia, IL, USA, May 1995. On leave of absence from INFN, Pisa, Italy

A combined experimental and theoretical approach has been employed to establish the basicity and proton affinity of SiF4 and the structure of SiF4H . The kinetics and energetics for the transfer of a proton between SiF4, N2, and Xe have been explored experimentally in helium at 0.35 6 0.02 torr and 297 6 3 K with a selected-ion flow tube apparatus. The results of equilibrium constant measuremen...

Proton Pumping in Cotychrome c Oxidase by Jianxun Lu Advisor: Professor Marilyn Gunner Cytochrome c oxidase (CcO) is a large trans-membrane protein, which is the final enzyme in the respiratory electron transport chain in mitochondria or aerobic bacteria. It implements proton pumping through the mitochondrial membrane against the electrochemical gradient, by utilizing the chemical energy releas...

Ion-molecule reactions of Me2S2 with a wide range of aliphatic carbanions differing by structure and proton affinity values have been studied in the gas phase using mass spectrometry techniques and DFT calculations. The analysis of the spectra shows a variety of product ions formed via different reaction mechanisms, depending on the structure and proton affinity of the carbanion. Product ions o...

The gas-phase acidity and proton affinity of thymine, cytosine, and 1-methyl cytosine have been examined using both theoretical (B3LYP/6-31+G*) and experimental (bracketing, Cooks kinetic) methods. This paper represents a comprehensive examination of multiple acidic sites of thymine and cytosine and of the acidity and proton affinity of thymine, cytosine, and 1-methyl cytosine. Thymine exists a...