RESUMEN
Three new D-π-A type compounds, each containing one benzothiazole ring as an electron acceptor and one N-ethylcarbazole group as electron donor, were synthesized and characterized by elemental analysis, NMR, MS and thermogravimetric analysis. The absorption and emission spectra of three compounds were experimentally determined in several solvents and were simultaneously computed using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The calculated reorganization energy for hole and electron indicates that three compounds are in favor of hole transport than electron transport. The calculated absorption and emission wavelengths are well coincident with the measured data. The calculated lowest-lying absorption spectra can be mainly attributed to intramolecular charge transfer (ICT). And the calculated fluorescence spectra can be mainly described as originating from an excited state with intramolecular charge transfer (ICT) character. The results show that three compounds exhibited excellent thermal stability and high fluorescence quantum yields, indicating their potential applications as excellent optoelectronic material in optical field.
Asunto(s)
Benzotiazoles/química , Carbazoles/química , Técnicas de Química Analítica , Modelos Biológicos , Modelos Moleculares , Modelos Teóricos , Simulación de Dinámica Molecular , Teoría CuánticaRESUMEN
Zymomonas mobilis is one of the natural ethanologenic microbes. With the unique Entner-Doudoroff pathway and some other special pathways of glycolytic and energetic metabolism, Z. mobilis has remarkable characters of higher rate of ethanol production and higher tolerance to ethanol. Glycolytic and energetic metabolism, tolerances (e.g., to ethanol, osmotic stress, etc.) and genetic improvements of Z. mobilis are reviewed to elucidate the huge potential of Z. mobilis in fuel ethanol production.
Asunto(s)
Etanol/metabolismo , Zymomonas/genética , Zymomonas/metabolismo , Metabolismo de los Hidratos de Carbono , Metabolismo Energético , Etanol/farmacología , Ingeniería Genética , Presión Osmótica , Zymomonas/efectos de los fármacos , Zymomonas/fisiologíaRESUMEN
AIM: Studies on synthesis and antibacterial activity of new heterocycles. METHODS: The cyclocondensation of [(3-pyridyl)-1,3,4-oxadiazol-2-yl] thio acetic acid with various aroyl hydrazines in the presence of POCl3 and xylene gave the corresponding titled compounds, and the in vitro antibacterial activity was primarily evaluated by the method of cupplate diffusion solution. RESULTS: Sixteen novel titled compounds were synthesized, their structures were confirmed by IR, 1HNMR, MS and elemental analysis. Biological screening results demonstrated that most of the compounds prepared displayed potential antibacterial activity. CONCLUSION: Oxadiazoles incorporting pyridyl oxadiazole ring may be usefully antibacterial candidate drugs.
