Pseudomonas pseudoalcaligenes JS45 grows on nitrobenzene by a partially reductive pathway in which the intermediate hydroxylaminobenzene is enzymatically rearranged to 2-aminophenol by hydroxylaminobenzene mutase (HAB mutase). The properties of the enzyme, the reaction mechanism, and the evolutionary origin of the gene(s) encoding the enzyme are unknown. In this study, two open reading frames (...

the density functional theory (dft) and the natural bond orbital (nbo) calculations basedmethod b3lyp/6-31g* were carried out to study the interaction of carbon nanotube (8,0) withnitrobenzene in two situations perpendicular and parallel. formation energies of compounds,charges, the highest occupied molecular orbital (homo) and the lowest unoccupied molecular'orbital (lumo) and the homo-lumo ba...

The combinatorial synthesis of 2-aminophenoxazin-3-one (APO) in a microfluidic device is reported. Individual microfluidic chips containing metallic zinc, silica-immobilized hydroxylaminobenzene mutase and silica-immobilized soybean peroxidase are connected in series to create a chemo-enzymatic system for synthesis. Zinc catalyzes the initial reduction of nitrobenzene to hydroxylaminobenzene wh...

A luminescent two-dimensional (2D) coordination polymer is demonstrated to be a selective sensing material for the straightforward detection of nitrobenzene via a redox fluorescence quenching mechanism.

A multifunctional Cu(I) coordination polymer constructed from helical chains showed unusual mechanochromic, sensing of nitrobenzene and photocatalytic properties on degradation of organic dyes.

The molecular conformation of the title compound, C(25)H(15)NO(8), is stabilized by strong intramolecular O-H⋯O hydrogen bonds, resulting in the formation of S(1) (1)(7) ring motifs. In the crystal, π-π stacking inter-actions are observed between adjacent nitrobenzene and pyranone rings with a centroid-centroid distance of 3.513 (12) Å. The dihedral angles between the nitrobenzene ring and the ...

D-amino acid oxidase ( D-amino acid oxygen oxidoreductase E.C. 1.4.3.3. ) was found to bind various nitroaromatics with characteristic spectral changes similar in form to those caused by benzoate and its analogues. Nitrobenzene and o-nitroaniline were found to be competitive inhibitors of the enzyme. Dissociation constants of nitroaromatics tested were larger than those of the carboxylates exce...

We have set out an equation for partition of 87 neutral molecules from water to o-nitrophenyl octyl ether, NPOE, an equation for partition of the 87 neutral molecules and 21 ionic species from water to NPOE, and an equation for partition of 87 neutral molecules from the gas phase to NPOE. Comparison with equations for partition into other solvents shows that, as regards partition of neutral (no...

The –OH modification over carbon nitride alters the selectivity of photocatalytic nitrobenzene hydrogenation to intermediate, N-phenylhydroxylamine.