Two hyperactive mutants of cytochrome c peroxidase (CCP), W51F and W51A, catalyze the enhanced oxidation of a number of substituted anilines. The reaction of CCP compound ES with mesidine is biphasic, while similar reactions using compound II give monophasic kinetics. These data, in addition to the ratio of the Fe4+ = O and free-radical species observed during steady-state turnover, indicate th...

Synthesis and characterization of the monomeric complex ((t)bpy)Pt(Me)(NHPh) ((t)bpy = 4,4'-di-tert-butyl-2,2'-dipyridyl) has been accomplished. Mechanistic studies reveal that 1,2-addition of dihydrogen across the Pt-anilido bond to initially produce ((t)bpy)Pt(Me)(H) and free aniline is catalyzed by elemental Pt rather than through a pathway that involves direct activation of H(2) by Pt and 1...

the use of appropriate level of theories for studying weak interactions such as 8-8 stackinginteractions of aromatic molecules has been an important aspect, since the high level methods havelimitations for application to large molecules. the differences in the stacking energies of variousaromatic molecular structures are found significant. it is also very important for identifying the mostfavor...

The ability of the 2-substituted aniline motif to serve as a scaffold for designing potential LuxR-regulated quorum sensing (QS) modulators has been investigated, using docking experiments and biological evaluation of a series of 15 specially synthesized compounds. Aniline, 2-acetyl-aniline and 2-nitroaniline were considered, as well as their N-acylated derivatives. Docking experiments showed t...

Systematic studies based on 1H NMR and 13C NMR indicated that the alkylthio group behaves as a weak electron-withdrawing group in a simple aniline system like 2-butylthioaniline, while the same alkylthio group clearly acted as a resonance electron-donating group in higher conjugated aniline trimer systems, like butylthio-substituted PDA (mono-PDA) and dibutylthio-substituted PDA (2,6-diPDA). Th...

The title reactions in water are subjected to a kinetic investigation. Under excess amine, pseudofirst-order rate coefficients (kobsd) are obtained. Plots of kobsd against aniline concentration are linear, with kN as the slope. The Brønsted-type plot (log kN vs anilinium pKa) is linear with slope 0.7, consistent with a concerted mechanism. By comparison of these reactions with others, it is con...

Copper ions play a vital role in a variety of fundamental physiological processes not only in human beings and plants, but also for extensive insects and microorganisms. In this paper, a novel water-soluble ruthenium(II) complex as a turn-on copper(II) ions luminescent sensor based on o-(phenylazo)aniline was designed and synthesized. The azo group would undergo a specific oxidative cyclization...

Aniline of unknown purity has been reported to induce spleen hemangiosarcoma in rats. Aniline has been found to be negative in terms of mutagenicity in both bacteria and yeasts. We have found that both commercial (already rather pure) and repurified aniline are clearly positive to a similar extent in inducing DNA damage in vivo in liver and kidney of rats. Both the commercial and repurified pro...

the study of wave and its propagation on the water surface is among significant phenomena in designing quay, marine and water structures. therefore, in order to design structures which are exposed to direct wave forces, it is necessary to study and simulate water surface height and the wave forces on the structures body in different boundary conditions. in this study, the propagation of static ...