The adsorption of C3 hydrocarbons propylene, 1-iodopropane, and 1,3-diiodopropane is studied in ultrahigh vacuum on a molybdenum-aluminum alloy formed by molybdenum hexacarbonyl reaction with a planar alumina film grown on a Mo(100) substrate. Carbon-iodine bond scission occurs below approximately 200 K to deposit iodine, and form propyl species from 1-iodopropane and a C3 metallacycle from 1,3...

In this report we describe the cloning, organization, and promoter analysis of the Staphylococcus aureus thioredoxin (trxA) and thioredoxin reductase (trxB) genes and their transcription in response to changes in oxygen concentration and to oxidative stress compounds. Northern analysis showed that the S. aureus trxA and trxB genes were transcribed equally well in aerobic and anaerobic condition...

The phenyl-lead metal complexes ([Pb(m)C6H5]-) produced from the reactions between benzene and lead clusters formed by laser ablation on a lead solid sample are studied by photoelectron spectroscopy (PES) and density functional theory (DFT). The adiabatic electron affinities (EAs) of [Pb(m)C6H5]- are obtained from PES at 308 nm, and the differences between the PES of [Pb(m)C6H5]- and the PES of...

The remarkable stability of glycals under oxidative conditions becomes apparent by their redox data in solution, computed HOMO energies, and behavior on the addition of electrophilic radicals generated in the presence of cerium(IV) ammonium nitrate. Oxidation potentials up to 2.03 V vs ferrocene were obtained, which are exceptionally high for cyclic enol ethers but correlate nicely with the rea...

Metal-thiolate active sites play major roles in bioinorganic chemistry. The M--S(thiolate) bonds can be very covalent, and involve different orbital interactions. Spectroscopic features of these active sites (intense, low-energy charge transfer transitions) reflect the high covalency of the M--S(thiolate) bonds. The energy of the metal-thiolate bond is fairly insensitive to its ionic/covalent a...

The rational design and synthesis of a highly potent inhibitor of HIV-1 protease have been accomplished. The inhibitor, SB 206343, is based on a model derived from the structure of the MVT-101/HIV-1 protease complex and contains a 4(5)-acylimidazole ring as an isosteric replacement for the P1'--P2' amide bond. It is a competitive inhibitor with an apparent inhibition constant of 0.6 nM at pH 6....

Let $S(G^{sigma})$ be the skew-adjacency matrix of the oriented graph $G^{sigma}$, which is obtained from a simple undirected graph $G$ by assigning an orientation $sigma$ to each of its edges. The skew energy of an oriented graph $G^{sigma}$ is defined as the sum of absolute values of all eigenvalues of $S(G^{sigma})$. Two oriented graphs are said to be skew equienergetic iftheir skew energies...

Let $mathcal{A}$ be a Banach algebra and $mathcal{M}$ be a Banach $mathcal{A}$-bimodule. We say that a linear mapping $delta:mathcal{A} rightarrow mathcal{M}$ is a generalized $sigma$-derivation whenever there exists a $sigma$-derivation $d:mathcal{A} rightarrow mathcal{M}$ such that $delta(ab) = delta(a)sigma(b) + sigma(a)d(b)$, for all $a,b in mathcal{A}$. Giving some facts concerning general...

This work discusses a protocol for constructing highly accurate potential energy curves (PECs) the lowest two states of Rb$_{2}^+$, i.e. $X\,{}^2{\Sigma}{_g^+}$ and $(1) {}^2\Sigma{_u^+}$, using an additivity scheme based on coupled-cluster theory. The approach exploits findings our previous [J. Schnabel, L. Cheng A. K\"ohn, J. Chem. Phys. 155, 124101 (2021)] to avoid unphysical repulsive long-...