Draft genome sequence of DSM 10236.

Here, we report the draft genome sequence of DSM 10236, a nitrite-oxidizing bacterium isolated from a sewage system in Hamburg, Germany. The genome is 4.3 Mb in size with 4,585 predicted genes, including the full complement of genes necessary for growth on nitrite ( and ).

Conformational Ensembles by NMR and MD Simulations in Model Heptapeptides with Select Tri-Peptide Motifs.

Both nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulations are routinely used in understanding the conformational space sampled by peptides in the solution state. To investigate the role of single-residue change in the ensemble of conformations sampled by a set of heptapeptides, AEVXEVG with X = L, F, A, or G, comprehensive NMR, and MD simulations were performed. The rationale for selecting the particular model peptides is based on the high variability in the occurrence of tri-peptide E*L between the transmembrane β-barrel (TMB) than in globular proteins.

Modulations in restricted amide rotation by steric induced conformational trapping.

The rotation around the amide bond in N,N-diethyl-m-toluamide (m-DEET) has been studied extensively and often used in laboratory instructions to demonstrate the phenomenon of chemical exchange. Herein, we show that a simple modification to N,N-diethyl-o-toluamide (o-DEET) significantly alters the dynamics of the restricted rotation around the amide bond due to steric interactions between the ring methyl group and the two N-ethyl groups. This alters the classic two-site exchange due to restricted rotation around the amide bond, to a three-site exchange, with the third conformation trapped at a higher-energy state compared to the other two.

Chloride Substitution Reactions of Cycloruthenated (R)(C)-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry.

The diastereoselectivity of chloride substitution by the pseudohalides azide, nitrite, thiocyanate, and cyanate in has been determined by a combination of (1)H and (13)C{(1)H} NMR spectroscopy, UV-visible spectroscopy, circular dichroism, infrared spectroscopy, and single-crystal X-ray crystallography. These chloride substitution reactions proceed with predominant retention of configuration at ruthenium. For the ambidentate ligands thiocyanate and nitrite, the major bonding mode is through their nitrogen donor atoms.

Single-Crystal (31)P NMR and X-ray Diffraction Study of a Molybdenum Phosphine Complex: (5-Methyldibenzophosphole)pentacarbonylmolybdenum(0).

The molecular structure of (5-methyldibenzophosphole)pentacarbonylmolybdenum(0), 1, has been determined by X-ray crystallography. The crystal is monoclinic C2/c, Z = 8, with unit cell dimensions of: a = 31.113(2) Å, b =7.