WorldWideScience

Sample records for aniline compounds

  1. Determination of aniline and quinoline compounds in textiles.

    Science.gov (United States)

    Luongo, Giovanna; Iadaresta, Francesco; Moccia, Emanuele; Östman, Conny; Crescenzi, Carlo

    2016-11-04

    A simple method for simultaneous determination of twenty-one analytes, belonging to two classes of compounds, aromatic amines and quinolines, is presented. Several of the analytes considered in this study frequently occur in textiles goods on the open market and have been related to allergic contact dermatitis and/or are proven or suspected carcinogens. The method includes an efficient clean-up step using graphitized carbon black (GCB) that simplifies and improves the robustness of the subsequent GC-MS analysis. Briefly, after solvent extraction of the textile sample, the extract is passed through a GCB SPE cartridge that selectively retain dyes and other interfering compounds present in the matrix, producing a clean extract, suitable for GC-MS analysis, is obtained. The method was evaluated by spiking blank textiles with the selected analytes. Method quantification limits (MQL) ranged from 5 to 720ng/g depending on the analyte. The linear range of the calibration curves ranged over two order magnitude with coefficients of determination (R(2)) higher than 0.99. Recoveries ranged from 70 to 92% with RSDs 1.7-14%. The effectiveness of the method was tested on a variety of textile materials samples from different origin. In a pilot explorative survey, 2,6-dichloro-4-nitroaniline was detected in all the analysed clothing samples in concentrations ranging from 1.0 to 576μg/g. 2,4-dinitroaniline was detected in four of the seven samples with a highest concentration of 305μg/g. Quinoline was detected in all samples in concentrations ranging from 0.06 to 6.2μg/g.

  2. A quantum mechanical approach to the theory of cancer from polynuclear compounds. Metabolic activation and carcinogenicity of extended anilines and aminoazo compounds.

    Science.gov (United States)

    Mohammad, S N

    1985-01-01

    Calculations have been carried out of the electronic structure and molecular properties in relation to metabolic activation and carcinogenic activities of polycyclic aromatic amines (PAAs). Quantum mechanical molecular orbital method MINDO/3 is employed in the calculations mainly on anilines, extended anilines, and aminoazo and other azo compounds. The calculations, in agreement with findings of Arcos and Argus, indicate that for the highest level of carcinogenic activity obtainable with the dicyclic aromatic amines, the amino substituent must be introduced at the terminal carbon atom of the longest conjugate chain. In the case of monocyclic compounds, in particular, charge distribution of the amino substitution aids in identifying the carcinogenic character of the PAAs. Our results demonstrate that ring hydroxylation leads to detoxification of the compounds. However, the major pathway leading to carcinogenic activity involves transformation to hydroxylamines and subsequently to electrophilic arylnitrenium ions (ANIs). These are in line with findings from experiments. Calculations of certain electronic parameters give expected relative carcinogenic potencies. In all cases the ANIs function as ambient electrophiles which can undergo both electrostatic and covalent binding with nucleophilic centers of proteins and DNA bases.

  3. A multimedia activity model for ionizable compounds: validation study with 2,4-dichlorophenoxyacetic acid, aniline, and trimethoprim.

    Science.gov (United States)

    Franco, Antonio; Trapp, Stefan

    2010-04-01

    Fugacity models are widely adopted for the environmental exposure assessment of organic chemicals but are inconvenient for nonvolatile substances, such as ionizable chemicals. The activity approach is a robust alternative to the fugacity concept and provides the thermodynamically exact equations to describe the behavior of neutral and ionizable molecules in nonideal systems. A multimedia activity model applicable to neutral and ionizable molecules (MAMI) was developed and tested for 2,4-dichlorophenoxyacetic acid and the bases aniline and trimethoprim. The model features pH and ionic strength dependence and species-specific estimations of partition coefficients from physicochemical properties. Sorption estimates consider both lipophilic and electrical interactions. A realistic regional exposure scenario was simulated for the three test compounds, and model results were compared with results obtained with a conventional fugacity model and with monitoring data. The better performance of MAMI indicates that the activity approach can enlarge the applicability domain and improve model predictions of existing regional models. Model results, supported by experimental evidence, showed the importance of dissociation, electrical interactions in solids, humidity in air, and to a lesser extent salinity in seawater to describe the environmental fate of ionizable organic chemicals.

  4. Orientational order parameter, S, in N-(p-n-ethoxy benzylidene)-p-n-alkoxy anilines, 2O.Om LC compounds

    Science.gov (United States)

    Sastry, P. S.; Srinivasu, Ch.; Pardhasaradhi, P.; Pisipati, V. G. K. M.

    2016-01-01

    The orientational order parameter, S, is estimated in N-(p-n-ethoxy benzylidene)-p-n-alkoxy anilines, 2O.Om liquid crystalline (LC) compounds with alkoxy chain number, m = 3, 4, and 6-10 using four different methods. The methods employed are (1) from birefringence, ? where ne and no are extraordinary and ordinary refractive indices, (2) from effective geometry parameter, αg, where α = no/ne, (3) from the Haller approximation (1 - T/TNIβ where β is obtained from method (1), and (4) the Maier and Saupe method from density. In the four methods proposed no field is chosen to explain the nematic liquid crystal and provides the S values obtained are identical to one another except in the case of 2O.O9 compound where the S values are higher when compared to the others. All the methods are explained in detail.

  5. Chromatographic studies of unusual on-column degradations of aniline compounds on XBridge Shield RP18 column in high pH aqueous mobile phase.

    Science.gov (United States)

    Wang, Fang; Liu, Xiao-Keng; Lai, Susanna; Fang, Jan; Semin, David

    2011-06-03

    This paper reports unusual on-column degradations of aniline compounds on Waters XBridge Shield RP18 column when ammonium hydroxide in water and acetonitrile were used as mobile phases in liquid chromatography. The change of the level of on-column degradation of a model compound (Compound 1) with time was observed in the first fifteen injections when started at 60 °C. During a subsequent cooling program from 60 °C to 10 °C with a 10 °C interval, the levels of the degradation products of Compound 1 changed with the change of temperature and reached a maximum at 40 °C. The on-column degradation of Compound 1 was observed when started at 10 °C in the first injection, however, the magnitude of the change of the level of on-column degradation of Compound 1 with time in the first fifteen injections was much smaller than that at 60 °C. During a subsequent heating program from 10 to 60 °C with a 10 °C interval, the levels of the degradation products of Compound 1 increased with the increase in temperature but without a maximum. The change of the degradation product levels of this model compound in the heating process is not super-imposable with that in the cooling process, which demonstrates the degree of the degradation also depends on the heating or cooling process. Column history studies demonstrated that the on-column degradation of Compound 1 changed dramatically on the used columns at both starting temperatures while the dependency of heating and cooling processes on on-column degradation still existed. The unusual on-column degradation of Compound 1 on the used columns can be regenerated in a very similar fashion with an acetic acid column-wash procedure, but is not identical to that on the new column. Similar degradations of other commercially available aniline compounds were also observed with this high pH aqueous mobile phase system.

  6. Aniline incorporated silica nanobubbles

    Indian Academy of Sciences (India)

    M J Rosemary; V Suryanarayanan; Ian Maclaren; T Pradeep

    2006-09-01

    We report the synthesis of stearate functionalized nanobubbles of SiO2 with a few aniline molecules inside, represented as C6H5NH2@SiO2@stearate, exhibiting fluorescence with red-shifted emission. Stearic acid functionalization allows the materials to be handled just as free molecules, for dissolution, precipitation, storage etc. The methodology adopted involves adsorption of aniline on the surface of gold nanoparticles with subsequent growth of a silica shell through monolayers, followed by the selective removal of the metal core either using sodium cyanide or by a new reaction involving halocarbons. The material is stable and can be stored for extended periods without loss of fluorescence. Spectroscopic and voltammetric properties of the system were studied in order to understand the interaction of aniline with the shell as well as the monolayer, whilst transmission electron microscopy has been used to study the silica shell.

  7. Biodegradability of Chlorinated Anilines in Waters

    Institute of Scientific and Technical Information of China (English)

    CHAO WANG; GUAN-GHUA LU; YAN-JIE ZHOU

    2007-01-01

    Objective To identify the bacteria tolerating chlorinated anilines and to study the biodegradability of o-chloroaniline and its coexistent compounds. Methods Microbial community of complex bacteria was identified by plate culture observation techniques and Gram stain method. Bacterial growth inhibition test was used to determine the tolerance of complex bacteria to toxicant. Biodegradability of chlorinated anilines was determined using domesticated complex bacteria as an inoculum by shaking-flask test. Results The complex bacteria were identified, consisting of Xanthomonas, Bacillus alcaligenes,Acinetobacter, Pseudomonas, and Actinomycetaceae nocardia. The obtained complex bacteria were more tolerant to o-chloroaniline than mixture bacteria in natural river waters. The effects of exposure concentration and inoculum size on the biodegradability of o-chloroaniline were analyzed, and the biodegradation characteristics of single o-chloroaniline and 2,4-dichloroaniline were compared with the coexistent compounds. Conclusion The biodegradation rates can be improved by decreasing concentration of compounds and increasing inoculum size of complex bacteria. When o-chloroaniline coexists with aniline, the latter is biodegraded prior to the former, and as a consequence the metabolic efficiency of o-chloroaniline is improved with the increase of aniline concentration. Meanwhile, when o-chloroaniline coexists with 2,4-dichloroaniline, the metabolic efficiency of 2,4-dichloroaniline is markedly improved.

  8. Aniline Will Be Oversupply

    Institute of Scientific and Technical Information of China (English)

    Lv Yongmei

    2007-01-01

    @@ 1 Drastic capacity expansion The capacity, the output and the demand of aniline in China all grewr apidly in 2006. By the end of 2006 the capacity was around 912 thousand t/a, an increase of 54.1% over the same period of 2005.

  9. Force field based molecular dynamics simulations in highly conducting compounds of poly(aniline). A comparison with quasi-elastic neutron scattering measurements

    Energy Technology Data Exchange (ETDEWEB)

    Sniechowski, M. [Laboratoire de Spectrometrie Physique, UMR5588 (CNRS-UJF), Universite J. Fourier, Grenoble I, Domaine Universitaire, B.P. 87, 38402 St. Martin d' Heres, Cedex (France); Faculty of Physics and Nuclear Techniques, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow (Poland); Djurado, D. [Laboratoire de Physique des Metaux Synthetiques, CEA Grenoble, DRFMC/SI3M/SPrAM, UMR 5819 (CEA/CNRS/UJF), 17 Rue des Martyrs, 38054 Grenoble, Cedex 9 (France)], E-mail: djurado@drfmc.ceng.cea.fr; Bee, M. [Laboratoire de Spectrometrie Physique, UMR5588 (CNRS-UJF), Universite J. Fourier, Grenoble I, Domaine Universitaire, B.P. 87, 38402 St. Martin d' Heres, Cedex (France); Institut Laue Langevin, 6 rue Jules Horovitz, B.P. 156, 38042 Grenoble, Cedex 9 (France); Gonzalez, M.A. [Institut Laue Langevin, 6 rue Jules Horovitz, B.P. 156, 38042 Grenoble, Cedex 9 (France); Johnson, M.R. [Institut Laue Langevin, 6 rue Jules Horovitz, B.P. 156, 38042 Grenoble, Cedex 9 (France); Rannou, P. [Laboratoire de Physique des Metaux Synthetiques, CEA Grenoble, DRFMC/SI3M/SPrAM, UMR 5819 (CEA/CNRS/UJF), 17 Rue des Martyrs, 38054 Grenoble, Cedex 9 (France); Dufour, B. [Laboratoire de Physique des Metaux Synthetiques, CEA Grenoble, DRFMC/SI3M/SPrAM, UMR 5819 (CEA/CNRS/UJF), 17 Rue des Martyrs, 38054 Grenoble, Cedex 9 (France); Luzny, W. [Faculty of Physics and Nuclear Techniques, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow (Poland)

    2005-10-31

    Dynamics of counter-ions in poly(aniline) doped with di-(2-butoxyethoxyethyl)ester of 4-sulfophthalic acid have been simulated using force field based molecular dynamics involving a semi-empirical charge equilibration procedure and charge rescaling based on DFT calculations. Due to particular relaxational and structural characteristics of such 'plastdoped' poly(anilines), these simulations have proved to be a very effective tool for reproducing the main structural and dynamic features of the material. The experiment/simulation comparison for dynamics is very good in the 10{sup -10}-10{sup -13} s time range. In particular, mean square displacements extracted from the molecular dynamics simulations for atoms in the counter-ions are in good agreement with the analytical model used to analyse the quasi-elastic neutron scattering data. The use of a larger simulation box and longer simulation time give good agreement in the extended time domain and reveal a dynamical heterogeneity between the counter-ions that was not foreseen in the analytical model.

  10. An effective medium of H2O and low-pressure CO2 for the selective hydrogenation of aromatic nitro compounds to anilines

    OpenAIRE

    2011-01-01

    Chemoselective hydrogenation of water-insoluble aromatic nitro compounds can be achieved over Ni catalysts in a H2O-compressed CO2 system at 35-50℃ without using any environmentally harmful solvent. The effective CO2 pressure is much lower than the critical pressure of CO2. The hydrogenation of nitro group should be the rate-determining step.

  11. Catalytic properties of carbon materials for wet oxidation of aniline.

    Science.gov (United States)

    Gomes, Helder T; Machado, Bruno F; Ribeiro, Andreia; Moreira, Ivo; Rosário, Márcio; Silva, Adrián M T; Figueiredo, José L; Faria, Joaquim L

    2008-11-30

    A mesoporous carbon xerogel with a significant amount of oxygen functional groups and a commercial activated carbon, were tested in the catalytic wet air oxidation of aniline at 200 degrees C and 6.9 bar of oxygen partial pressure. Both carbon materials showed high activity in aniline and total organic carbon removal, a clear increase in the removal efficiency relatively to non-catalytic wet air oxidation being observed. The best results in terms of aniline removal were obtained with carbon xerogel, an almost complete aniline conversion after 1h oxidation with high selectivity to non-organic compounds being achieved. The materials were characterized by thermogravimetric analysis, temperature programmed desorption, N(2) adsorption and scanning electron microscopy, in order to relate their performances to the chemical and textural characteristics. It was concluded that the removal efficiency, attributed to both adsorption and catalytic activity, is related to the mesoporous character of the materials and to the presence of specific oxygen containing functional groups at their surface. The effect of catalytic activity was found to be more important in the removal of aniline than the effect of adsorption at the materials surface. The results obtained indicate that mesoporous carbon xerogels are promising catalysts for CWAO processes.

  12. Catalytic properties of carbon materials for wet oxidation of aniline

    Energy Technology Data Exchange (ETDEWEB)

    Gomes, Helder T. [Laboratorio de Catalise e Materiais (LCM), Laboratorio Associado LSRE/LCM, Departamento de Engenharia Quimica, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Departamento de Tecnologia Quimica e Biologica, Escola Superior de Tecnologia e de Gestao, Instituto Politecnico de Braganca, Campus de Santa Apolonia, 5300-857 Braganca (Portugal); Machado, Bruno F.; Ribeiro, Andreia; Moreira, Ivo; Rosario, Marcio; Silva, Adrian M.T.; Figueiredo, Jose L. [Laboratorio de Catalise e Materiais (LCM), Laboratorio Associado LSRE/LCM, Departamento de Engenharia Quimica, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Faria, Joaquim L. [Laboratorio de Catalise e Materiais (LCM), Laboratorio Associado LSRE/LCM, Departamento de Engenharia Quimica, Faculdade de Engenharia, Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal)], E-mail: jlfaria@fe.up.pt

    2008-11-30

    A mesoporous carbon xerogel with a significant amount of oxygen functional groups and a commercial activated carbon, were tested in the catalytic wet air oxidation of aniline at 200 deg. C and 6.9 bar of oxygen partial pressure. Both carbon materials showed high activity in aniline and total organic carbon removal, a clear increase in the removal efficiency relatively to non-catalytic wet air oxidation being observed. The best results in terms of aniline removal were obtained with carbon xerogel, an almost complete aniline conversion after 1 h oxidation with high selectivity to non-organic compounds being achieved. The materials were characterized by thermogravimetric analysis, temperature programmed desorption, N{sub 2} adsorption and scanning electron microscopy, in order to relate their performances to the chemical and textural characteristics. It was concluded that the removal efficiency, attributed to both adsorption and catalytic activity, is related to the mesoporous character of the materials and to the presence of specific oxygen containing functional groups at their surface. The effect of catalytic activity was found to be more important in the removal of aniline than the effect of adsorption at the materials surface. The results obtained indicate that mesoporous carbon xerogels are promising catalysts for CWAO processes.

  13. Microbial Degradation of Aniline by Bacterial Consortium

    Institute of Scientific and Technical Information of China (English)

    JIAN-LONG WANG; ZE-YU MAO; WEI-ZHONG WU

    2003-01-01

    Objective To investigate the characteristics of microbial degradation of aniline by a stable bacterial consortium. Methods The bacterial consortium was isolated from activated sludge treating chemical wastewater using aniline as the sole source of carbon and nitrogen by enrichment and isolation technique. The biomass was measured as optical density (OD) at 510 nm using a spectrophotometer. Aniline concentrations were determined by spectrophotometer. The intermediates of aniline degradation were identified by GC/MS method. Results The bacterial consortium could grow at a range of aniline concentrations between 50 and 500 mg/L. The optimal pH and temperature for aniline degradation were determined to be 7.0 and 30, respectively. The presence of NH4NO3 as an additional nitrogen source (100-500 mg/L) had no adverse effect on bacterial growth and aniline degradation. The presence of heavy metal ions, such as Co2+, Zn2+, Ni2+, Mn2+ and Cu2+ had an inhibitory effect on aniline degradation. Conclusions The isolated bacterial consortium candegrade aniline up to 500 mg/L effectively and tolerate some heavy metal ions that commonly exist in chemical wastewater. It has a potential to be applied in the practical treatment of aniline-containingwastewater.

  14. Reaction Kinetics of Aniline Synthetic Wastewater Treatment by Moving Bed Biofilm Reactor

    Directory of Open Access Journals (Sweden)

    H Ganjidoust

    2009-07-01

    Full Text Available "n "nBackground and Objectives: Experiments were conducted to investigate the behavior of Moving Bed Biofilm Reactor (MBBR as a novel aerobic process for treatment of aniline synthetic wastewater as a hard biodegradable compound is commonly used in number of industrial processes. The objective of this paper is evaluation of MBBR in different conditions for treatment of aniline and determination of reaction kinetics."nMaterials and Methods: In the MBBRs, different carriers are used to maximize the active biofilm surface area in the reactors. In this study, the reactor was filled with Light Expanded Clay Aggregate (LECA as carriers. Evaluation of the reactor efficiency was done at different retention time of 8, 24, 48 and 72 hours with an influent COD from 100 to 3500 mg/L (filling ratio of 50%. After obtaining removal efficiencies, effluent concentration of aniline was measured by adsorption spectrum and maladaptive municipal wastewater treatment plant sludge in batch conditions for confidence of aniline biodegradation and its adsorption to the sludge mass. "nResults:The maximum obtained removal efficiencies were 91% (influent COD=2000 mg/L after 72 hours. Biodegradation of aniline in MBBR has been also approved by NMR spectrum tests. Finally experimental data has indicated that Grau second order model and Stover-Kincannon were the best models to describe substrate loading removal rate for aniline."nConclusion:biological treatment of aniline wastewater compared to other researchers methods.

  15. The degradation products of aniline in the solutions with ozone and kinetic investigations.

    Science.gov (United States)

    Turhan, Kadir; Uzman, Suheyla

    2007-10-01

    Aromatic compounds are extensively used in several industries and can cause pollution in water sources. This work aims at examining the degradability of aniline in aqueous solutions by ozone-induced cleavage, and at determining the kinetics of the cited cleavage reactions. Aniline was prepared in four different concentrations and the flow rate of ozone supplied to each solution was selected. Aniline solutions were ozonated at low and high pH, so as to compare both molecular and hydroxyl free radical mechanisms, respectively. The main identified aromatic by-products were nitrobenzene and azobenzene when the experiment was carried out at acidic pH. Formation of nitrobenzene, azobenzene, azoxybenzene and 2-pyridine carboxylic acid (picolinic acid) was observed when the ozonization was carried out at basic pH. All the aromatic by-products found were less toxic than the raw materials. The pseudo-first-order constants in aniline concentrations were calculated.

  16. Derivatization in gas chromatographic determination of phenol and aniline traces in aqueous media

    Science.gov (United States)

    Gruzdev, I. V.; Zenkevich, I. G.; Kondratenok, B. M.

    2015-06-01

    Substituted anilines and phenols are the most common hydrophilic organic environmental toxicants. The principles of gas chromatographic determination of trace amounts of these compounds in aqueous media at concentrations extractive preconcentration and selective chromatographic detection. Among the known reactions, this condition is best met by electrophilic halogenation of compounds at the aromatic moiety. The bibliography includes 177 references.

  17. Reductive fluorescence quenching of DMP with aniline

    Energy Technology Data Exchange (ETDEWEB)

    Asha Jhonsi, M. [B.S. Abdur Rahman University, Vandalur, Chennai 600048, Tamil Nadu (India); Kathiravan, A., E-mail: akathir23@hotmail.com [National Centre for Ultrafast Processes, University of Madras, Taramani Campus, Chennai 600113, Tamil Nadu (India)

    2014-01-15

    The photoinduced electron transfer (PET) between 8-(4-methoxyphenyl)-3,5-di[(E)-1-(4-methoxyphenyl)methylidene]-1,2,3,5,6, 7-hexahydrodicyclopenta[b,e]pyridine (DMP) and aniline is studied in acetonitrile medium by using steady state and time resolved absorption and fluorescence spectroscopic methods. Bimolecular quenching rate constants (k{sub q}) were calculated from the obtained linear Stern–Volmer plots from both steady state and time resolved measurements. The rate constant (k{sub q}) for PET between DMP and aniline is 1.4×10{sup 10} M{sup −1} s{sup −1}, which is in diffusion control limit. The free energy change (ΔG{sup 0}) has been evaluated by using Rehm–Weller equation for the evidence of electron transfer from aniline to DMP. Direct evidence for the electron transfer reaction in the present system has been obtained by characterizing the aniline cation radical using nanosecond time resolved absorption measurements in the visible region. Further, this quenching mechanism is attributed to be reductive in nature i.e. electron transfer occurs from ground state aniline to excited DMP. This is the first example of reductive fluorescence quenching of DMP with aniline in acetonitrile ever known. -- Highlights: • Photoinduced electron transfer between DMP and aniline using time resolved absorption and fluorescence spectroscopy has been investigated. • Reductive quenching behavior was observed. • Direct evidence for the ET reaction in the present system has been obtained by characterizing the aniline cation radical.

  18. Laboratory shake flask batch tests can predict field biodegradation of aniline in the Rhine.

    Science.gov (United States)

    Toräng, Lars; Reuschenbach, Peter; Müller, Britta; Nyholm, Niels

    2002-12-01

    The aim of this study was to compare degradation rates of aniline in laboratory shake flask simulation tests with field rates in the river Rhine. The combined events of a low flow situation in the Rhine and residual aniline concentrations in the effluent from the BASF treatment plant in Ludwigshafen temporarily higher than normal, made it possible to monitor aniline at trace concentrations in the river water downstream the wastewater outlet by means of a sensitive GC headspace analytical method. Aniline was analyzed along a downstream gradient and the dilution along the gradient was calculated from measurements of conductivity, sulfate and a non-readily biodegradable substance, 1,4-dioxane. Compensating dilution, field first-order degradation rate constants downstream the discharge of BASF were estimated at 1.8 day(-1) for two different dates with water temperatures of 21.9 and 14.7 degrees C, respectively. This field rate estimate was compared with results from 38 laboratory shake flask batch tests with Rhine water which averaged 1.5 day(-1) at 15 degrees C and 2.0 day(-1) at 20 degrees C. These results indicate that laboratory shake flask batch tests with low concentrations of test substance can be good predictors of degradation rates in natural water bodies--at least as ascertained here for short duration tests with readily degradable compounds among which aniline is a commonly used reference.

  19. DFT modelling of the effect of strong magnetic field on Aniline molecule

    CERN Document Server

    Atci, H; Huseyinoglu, M; Arikan, B; Siddiki, A

    2016-01-01

    Aniline is an organic compound with the stoichiometric expression $C_{6}H_{5}NH_{2}$; consisting of a phenyl structure attached to an amino group. It is colorless, but it slowly oxidizes and resinifies in air, giving a red-brown tint to aged samples. Until now, there are only few researches on Aniline considering low magnetic fields. In this work, we study Aniline molecule under different high magnetic fields using density functional theory methods including independent particle and interacting particle approaches. We obtain charge density distrubitions, energy dispersions, dipol moments and forces as functions of position and magnetic field. Our numerical results show that magnetic field affects electron density of the considered molecule. As a result, it is observed that there are strong fluctuations in energy dispersion.

  20. ELECTROCHEMICAL COPOLYMERIZATION OF ANILINE AND AZURE B

    Institute of Scientific and Technical Information of China (English)

    Dan Shan; Shao-lin Mu; Bing-wei Mao; Yong-fang Li

    2001-01-01

    The electrochemical copolymerization of aniline and N,N,N'-trimethylthionin (azure B) in aqueous solutions has been carried out using the potential sweep method. The optimum conditions for the coelectrodeposition are that the pH value and the temperature of the electrolytic solution are controlled at 5.57 and 30℃, respectively, and the scan potential range is set between -0.25 and 1.10 V (versus SCE). The copolymerization rate of aniline and azure B is about 3 times larger than that of aniline in the absence of azure B. The copolymerization of aniline and azure B was verified from the results of visible spectra during electrolysis, FTIR spectra and the atomic force microscopy (AFM) images of the polymers. The in situ visible spectrum for the electrolysis of the solution containing aniline and azure B is different from that of the respective aniline and azure B. The FTIR spectrum of the copolymer is not a superposition of that of polyaniline and poly(azure B). The AFM image of the copolymer is different from those of polyaniline and poly(azure B) and is not a mixture of individual polymers. The conductivity of the copolymer synthesized at pH 5.57 is four orders of magnitude higher than that of polyaniline synthesized under the same conditions, but in the absence of azure B. The electrochemical properties of the copolymer are mainly attributed to polyaniline, but the copolymer has a better electrochemical reversibility and a much faster charge transfer than those of polyaniline.``

  1. Estrogenicity and acute toxicity of selected anilines using a recombinant yeast assay.

    Science.gov (United States)

    Hamblen, Elizabeth L; Cronin, Mark T D; Schultz, T Wayne

    2003-08-01

    Suspected estrogen modulators include industrial organic chemicals (i.e., xenoestrogens), and have been shown to consist of alkylphenols, bisphenols, biphenylols, and some hydroxy-substituted polycyclic aromatic hydrocarbons. The most prominent structural feature identified to be important for estrogenic activity is a polar group capable of donating hydrogen bonds (i.e., hydroxyl) on an aromatic system. The present study was undertaken to explore the estrogenic activity and acute toxicity of chemicals containing a weaker hydrogen bond donor group on aromatic systems, i.e., the amino substituent. There is a great deal of chemical similarity between aromatic amines (anilines) and aromatic alcohols (phenols). The chemicals chosen for the current study contained an amino-substituted benzene ring with hydrophobic constituents varying in size and shape. Thus, 37 substituted aromatic amines were assayed for estrogenic activity EC50 and acute toxicity LC50 using the Saccharomyces cerevisiae recombinant yeast assay. While the EC50 of 17-beta-estradiol occurs at the 10(-10) range, the aniline with the greatest activity had an EC50 of 10(-6) M. Thus, anilines, in general, are capable only of very weak estrogenic activity in this assay. A comparison of estrogenic potency between the present group of anilines and a set of previously tested analogous phenols indicated that anilines are consistently less estrogenic than phenols. A comparison of hazard indices (EC50/LC50) of these chemicals revealed that, for the vast majority of anilines, the EC50 and LC50 were in the same order of magnitude. More specifically, estrogenic activity of para-substituted alkylanilines increases with alkyl group size up to 5 carbons in length, after which the acute toxicity of the larger alkyl-substituents precluded the ability of the compound to induce the estrogenic response.

  2. An Electrochemical Study of Two Self-Dopable Water-Soluble Aniline Derivatives: Electrochemical Deposition of Copolymers

    Directory of Open Access Journals (Sweden)

    Loredana Vacareanu

    2012-01-01

    Full Text Available An electrochemical study of two water-soluble aniline derivatives, N-(3-sulfopropyl aniline (AnPS and N-(3-sulfopropyl p-aminodiphenylamine (DAnPS, in aqueous acidic electrolytic solutions containing different kinds of doping anions (Cl −, SO4 2−, and ClO4 − was carried out. At sufficiently high anodic potential, the sulfonated aniline derivatives undergo oxidation processes yielding cation-radical and dimer intermediates, but no polymer deposition was observed on the working electrode surface. Experimental results showed that both aniline derivatives are electroactive compounds exhibiting redox behaviour in the range of potential of −0.2 V–1.6 V. Due to the self-doping effect induced by sulfonic groups, AnPS and DAnPS compounds have good electroactivity even in neat water solution. By adding a small amount of aniline into electrolytic system, thin layers of copolymers were deposited on the working electrode surface. The copolymer layers formed on the electrodes show a highly orientational and positional order, confirmed by AFM and XRD spectroscopic techniques. During the anodic oxidation processes some distinct colour changes were observed.

  3. [Catalytic wet air oxidation of phenol and aniline over multi-walled carbon nanotubes].

    Science.gov (United States)

    Li, Xiang; Yang, Shao-xi; Zhu, Wan-peng; Wang, Jian-bing; Wang, Li

    2008-09-01

    Multi-walled carbon nanotubes (MWNTs) without any metal ions were used as the catalyst, and investigated in the CWAO of phenol and aniline in a batch reactor. The structures of the MWNTs were characterized by means of SEM and TEM. It showed that the MWNTs, treated with the mixed acid (HNO3-H2SO4), displayed excellent activity and stability in the CWAO. Under the reaction temperature of 160 degrees C, the total pressure of 2.5 MPa, the initial concentration of 1000 mg/L and loading the catalyst of 1.6 g/L, 100% phenol and 86% COD were removed after 120 min reaction in CWAO of phenol. At the same operating conditions, 83% aniline and 68% COD removals were obtained in the CWAO of aniline solution when the initial concentration of aniline was 2 000 mg/L. The surface functional groups played the important role for the high activity of the MWNTs in CWAO of organic compounds.

  4. A novel solid-state electrochemiluminescence quenching sensor for detection of aniline based on luminescent composite nanofibers

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoying, E-mail: wxy@seu.edu.cn; Yang, Yu; Gao, Huiwen

    2014-12-15

    A novel solid-state electrochemiluminescence (ECL) quenching sensor based on the luminescent composite nanofibers for detection of aniline has been developed. The gold nanoparticles (AuNPs) and Ruthenium (II) tris-(bipyridine) (Ru(bpy){sub 3}{sup 2+}) doped nylon 6 (PA6) luminescent composite nanofibers (Ru–AuNPs–PA6) were successfully deposited to the bare glassy carbon (GC) electrode by a one-step electrospinning technique. The Ru–AuNPs–PA6 nanofibers maintained the photoelectric properties of the Ru(bpy){sub 3}{sup 2+} ions completely and exhibited excellent ECL behaviors. A high quenching effect on the ECL signal of the Ru–AuNPs–PA6/C{sub 2}O{sub 4}{sup 2−} system was obtained with the presence of low concentration aniline compounds. The potential of analytical application was explored by use of the inhibited ECL. The quenching efficiencies of the five kinds of aniline compounds were compared by monitoring the aniline-dependent ECL intensity change. The magnitude of quenching depended linearly upon the concentration of aniline in the investigated concentration range of 10–10 µM. The detection limit for aniline is 5.0 nM, which is comparable or better than that in the reported assays. The solid-state ECL quenching sensor exhibited high sensitivity and good stability. This study may provide new insight into the design of advanced electrospun nanofibers-based ECL sensors for detection and analysis of a variety of active molecules. - Highlights: • The Ru–AuNPs–PA6 nanofibers were first prepared by one-step electrospinning technique. • The Ru–AuNPs–PA6 nanofibers exhibited excellent ECL behaviors on GC electrodes. • It is the first solid-state ECL sensor based on nanofibers for aniline detection. • The quenching efficiencies of the five kinds of aniline compounds were compared. • The strategy could be extended to develop various nanofibers-based ECL sensors.

  5. Simultaneous Detection of Phenols and Anilines in Oilfield Waste Water

    Institute of Scientific and Technical Information of China (English)

    Yuan Cunguang; Feng Chengwu

    1996-01-01

    @@ Phenols and aromatic anilines are monitored in many countries , because both of them pollute environment seriously. The methods of 4-AAP(4-Aminoantipyrine)photometric detection of volatile phenols and naphthalene -ethyl-diamine-azo photometric detection of anilines are recommended by the National Environmental Protection Bureau, China (NEPBC).

  6. Toxicity of five anilines to crustaceans, protozoa and bacteria

    Directory of Open Access Journals (Sweden)

    MARILIIS SIHTMÄE

    2010-09-01

    Full Text Available Aromatic amines (anilines and related derivates are an important class of environmental pollutants that can be released to the aquatic environment as industrial effluents or as breakdown products of pesticides and dyes. The toxicity of aniline, 2-chloroaniline, 3-chloroaniline, 4-chloroaniline and 3,5-dichloroaniline towards a multitrophic test battery comprised of bacteria Aliivibrio fischeri (formerly Vibrio fischeri, a ciliated protozoan Tetrahymena thermophila and two crustaceans (Daphnia magna and Thamnocephalus platyurus were investigated. Under the applied test conditions, the toxicity of the anilines notably varied among the test species. The bacteria and protozoa were much less sensitive towards the anilines than the crustaceans: EC50 values 13–403 mg L-1 versus 0.13–15.2 mg L-1. No general tendency between toxicity and the chemical structure of the anilines (the degree of chloro-substitution and the position of the chloro-substituents was found in the case of all the tested aquatic species. The replacement of the artificial test medium (ATM by the river water remarkably decreased the toxicity of anilines to crustaceans but not to protozoa. This research is part of the EU 6th Framework Integrated Project OSIRIS, in which ecotoxicogenomic studies of anilines (e.g., for Daphnia magna will also be performed that may help to clarify the mechanisms of toxicity of different anilines.

  7. Prediction of Toxicity of Phenols and Anilines to Algae by Quantitative Structure-activity Relationship

    Institute of Scientific and Technical Information of China (English)

    GUANG-HUA LU; CHAO WANG; XIAO-LING GUO

    2008-01-01

    Objective To measure the toxicity of phenol, aniline, and their derivatives to algae and to assess, model and predict the toxicity using quantitative structure-activity relationship (QSAR) method. Methods Oxygen production was used as the response endpoint for assessing the toxic effects of chemicals on algal photosynthesis. The energy of the lowest unoccupied molecular orbital (ELUMO) and the energy of the highest occupied molecular orbital (E) Were obtained from the ChemOffice 2004 program using the quantum chemical method MOPAC, and the frontier orbital energy gap (ΔE) was obtained. Results The compounds exhibited a reasonably wide range of algal toxicity. The most toxic compound was α-naphthol, whereas the least toxic one was aniline. A two-descriptor model was derived from the algal toxicity and structural parameters:logl/EC50=0.268logKow-1.006ΔE+11.769 (n=20,r2=0.946). This model was stable and satisfactory for predicting toxicity. Conclusion Phenol aniline, and their derivatives axe polar narcotics. Their toxicity is greater than estimated by hydrophobicity only, and addition of the frontier orbital energy gap ΔE can significantly improve the prediction of logKow-dependont models.

  8. Biodegradation of toluene diamine (TDA) in activated sludge acclimated with aniline and TDA.

    Science.gov (United States)

    Asakura, S; Okazaki, S

    1995-06-01

    The biodegradability of toluene diamine (TDA) which has been regarded as a "recalcitrant compound" was examined in activated sludges. In this study, a microorganic-enzyme system which metabolized TDA was obtained by acclimating the activated sludge with aniline and TDA. In the sludge subject to be 200 days' acclimation, the considerable increase in respiration rate with the addition of TDA, accompanied the sharp decrease in its concentration. This indicated that TDA was metabolized fortuitously. The rate of biodegradation of TDA in the absence of aniline was first order with respect to its concentration when the initial TDA concentration was less than about 5 mg/l. The rate constant in this relation was proportional to mixed liquor suspended solid (MLSS). However, when the initial TDA concentration exceeded 5 mg/l, the plots were deviated from a first order rate equation.

  9. Degradation pathways of aniline in aqueous solutions during electro-oxidation with BDD electrodes and UV/H2O2 treatment.

    Science.gov (United States)

    Benito, Aleix; Penadés, Aida; Lliberia, Josep Lluis; Gonzalez-Olmos, Rafael

    2017-01-01

    In this work, it has been studied the mineralization of aniline, a toxic substance of low biodegradability typically found in many industrial wastewaters, through electro-oxidation using boron doped diamond (BDD) electrodes and photo-oxidation (UV photolysis and UV/H2O2 treatments). It was observed that in electro-oxidation and UV/H2O2, it was feasible to reach aniline mineralizations higher than 85%. Two different degradation routes have been observed during the aniline oxidation in these two treatments. The first route was the mineralization pathway, in which aniline was oxidized to CO2, water and nitrate. The second route was the polyaniline pathway in which polyanilines of high molecular weight are formed. The intermediate compounds involved in both degradation routes are different depending on the treatment used. In the electro-oxidation, denitrification processes were also observed. From an economical point of view, electro-oxidation of aniline using BDD electrodes is more interesting than UV/H2O2 due it has an 87% lower operational cost. So, electro-oxidation using BDD electrodes seems to be a more suitable technique for the mineralization of wastewater containing aniline than UV or H2O2 based technologies.

  10. Aniline Induces Oxidative Stress and Apoptosis of Primary Cultured Hepatocytes

    Directory of Open Access Journals (Sweden)

    Yue Wang

    2016-11-01

    Full Text Available The toxicity and carcinogenicity of aniline in humans and animals have been well documented. However, the molecular mechanism involved in aniline-induced liver toxicity and carcinogenesis remains unclear. In our research, primary cultured hepatocytes were exposed to aniline (0, 1.25, 2.50, 5.0 and 10.0 μg/mL for 24 h in the presence or absence of N-acetyl-l-cysteine (NAC. Levels of reactive oxygen species (ROS, malondialdehyde (MDA, and glutathione (GSH, activities of superoxide dismutase (SOD and catalase (CAT, mitochondrial membrane potential, DNA damage, cell viability, and apoptosis were detected. Levels of ROS and MDA were significantly increased and levels of GSH and CAT, activity of SOD, and mitochondrial membrane potential in hepatocytes were significantly decreased by aniline compared with the negative control group. The tail moment and DNA content of the tail in exposed groups were significantly higher than those in the negative control group. Cell viability was reduced and apoptotic death was induced by aniline in a concentration-dependent manner. The phenomena of ROS generation, oxidative damage, loss of mitochondrial membrane potential, DNA damage and apoptosis could be prevented if ROS inhibitor NAC was added. ROS generation is involved in the loss of mitochondrial membrane potential and DNA injury, which may play a role in aniline-induced apoptosis in hepatocytes. Our study provides insight into the mechanism of aniline-induced toxicity and apoptosis of hepatocytes.

  11. Intrauterine Exposure to Paracetamol and Aniline Impairs Female Reproductive Development by Reducing Follicle Reserves and Fertility.

    Science.gov (United States)

    Holm, Jacob Bak; Mazaud-Guittot, Severine; Danneskiold-Samsøe, Niels Banhos; Chalmey, Clementine; Jensen, Benjamin; Nørregård, Mette Marie; Hansen, Cecilie Hurup; Styrishave, Bjarne; Svingen, Terje; Vinggaard, Anne Marie; Koch, Holger Martin; Bowles, Josephine; Koopman, Peter; Jégou, Bernard; Kristiansen, Karsten; Kristensen, David Møbjerg

    2016-03-01

    Studies report that fetal exposure to paracetamol/acetaminophen by maternal consumption can interfere with male reproductive development. Moreover, recent biomonitoring data report widespread presence of paracetamol in German and Danish populations, suggesting exposure via secondary (nonpharmaceutical) sources, such as metabolic conversion from the ubiquitous industrial compound aniline. In this study, we investigated the extent to which paracetamol and aniline can interfere with female reproductive development. Intrauterine exposure to paracetamol by gavage of pregnant dams resulted in shortening of the anogenital distance in adult offspring, suggesting that fetal hormone signaling had been disturbed. Female offspring of paracetamol-exposed mothers had ovaries with diminished follicle reserve and reduced fertility. Fetal gonads of exposed animals had also reduced gonocyte numbers, suggesting that the reduced follicle count in adults could be due to early disruption of germ cell development. However, ex vivo cultures of ovaries from 12.5 days post coitum fetuses showed no decrease in proliferation or expression following exposure to paracetamol. This suggests that the effect of paracetamol occurs prior to this developmental stage. Accordingly, using embryonic stem cells as a proxy for primordial germ cells we show that paracetamol is an inhibitor of cellular proliferation, but without cytotoxic effects. Collectively, our data show that intrauterine exposure to paracetamol at levels commonly observed in pregnant women, as well as its precursor aniline, may block primordial germ cell proliferation, ultimately leading to reduced follicle reserves and compromised reproductive capacity later in life.

  12. Development of quantitative structure-metabolism (QSMR) relationships for substituted anilines based on computational chemistry.

    Science.gov (United States)

    Athersuch, Toby J; Wilson, Ian D; Keun, Hector C; Lindon, John C

    2013-09-01

    A novel stepwise classification approach for predicting the metabolic fate of substituted anilines, based on calculated physicochemical parameters of the parent anilines, was developed. Based on multivariate pattern recognition methods (PLS-DA or soft independent modelling of class analogy [SIMCA]), these models allowed prediction of N-acetylation and subsequent N-oxanilic acid formation. These classification methods provided an improved classification success when compared with existing quantitative structure-metabolism relationship models for substituted anilines. Modelling the physicochemical properties of the N-acetylated compounds was considered as an addition to the stepwise model. Inclusion of parameters describing the N-acetyl moiety had little effect on the predictive ability of a stepwise parent to N-acetyl to N-oxanilic acid PLS-DA model, and had a negative impact on that of SIMCA models. This was attributed to the relatively small contribution to the total parameter variance caused by differences arising as a result of N-acetylation compared to the contribution made by the substituent effects. Calculation of physicochemical properties incorporating the effect of solvation using ab initio methods improved the classification model in terms of both the visual separation in multivariate projections and prediction accuracy.

  13. Protocol for the Synthesis of Ortho-trifluoromethoxylated Aniline Derivatives.

    Science.gov (United States)

    Feng, Pengju; Ngai, Ming-Yu

    2016-01-19

    Molecules bearing trifluoromethoxy (OCF3) group often show desired pharmacological and biological properties. However, facile synthesis of trifluoromethoxylated aromatic compounds remains a formidable challenge in organic synthesis. Conventional approaches often suffer from poor substrate scope, or require use of highly toxic, difficult-to-handle, and/or thermally labile reagents. Herein, we report a user-friendly protocol for the synthesis of methyl 4-acetamido-3-(trifluoromethoxy)benzoate using 1-trifluoromethyl-1,2-benziodoxol-3(1H)-one (Togni reagent II). Treating methyl 4-(N-hydroxyacetamido)benzoate (1a) with Togni reagent II in the presence of a catalytic amount of cesium carbonate (Cs2CO3) in chloroform at RT afforded methyl 4-(N-(trifluoromethoxy)acetamido)benzoate (2a). This intermediate was then converted to the final product methyl 4-acetamido-3-(trifluoromethoxy)benzoate (3a) in nitromethane at 120 °C. This procedure is general and can be applied to the synthesis of a broad spectrum of ortho-trifluoromethoxylated aniline derivatives, which could serve as useful synthetic building blocks for the discovery and development of new pharmaceuticals, agrochemicals, and functional materials.

  14. Practical catalytic method for synthesis of sterically hindered anilines.

    Science.gov (United States)

    Mailig, Melrose; Rucker, Richard P; Lalic, Gojko

    2015-07-14

    A practical catalytic method for the synthesis of sterically hindered anilines is described. The amination of aryl and heteroaryl boronic esters is accomplished using a catalyst prepared in situ from commercially available and air-stable copper(i) triflate and diphosphine ligand. For the first time, the method can be applied to the synthesis of both secondary and tertiary anilines in the presence of a wide range of functional groups. Esters, aldehydes, alcohols, aryl halides, ketones, nitriles, and nitro arenes are all compatible with the reaction conditions. Finally, even the most sterically hindered anilines can be successfully prepared under mild reaction conditions. Overall, the new method addresses significant practical limitations of a transformation previously developed in our lab, and provides a valuable complement to the existing methods for the synthesis of anilines.

  15. Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors

    Science.gov (United States)

    Sivakumar, V.; Ponnamma, Deepalekshmi; Hussein, Yasser H. A.

    2017-02-01

    Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQT) but not the triplets AQT or AQST. However in aqueous medium, AN quenches AQST and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQT or AQST while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications.

  16. N-(2-Ferrocenylethyl-idene)-4-(trifluoro-meth-yl)aniline.

    Science.gov (United States)

    Imhof, Wolfgang

    2009-03-28

    The title compound, [Fe(C(5)H(5))(C(13)H(9)F(3)N)], was prepared by a condensation reaction from ferrocenylcarbaldehyde and 4-(trifluoro-meth-yl)aniline. The cyclo-penta-dienyl (Cp) rings are coplanar [dihedral angle = 1.4 (3)°] and the imine function is situated in the same plane. The aromatic substituent is bent out of the plane of the Cp ring to which the imine group is attached by 44.5 (4)°. The F atoms of the trifluoro-methyl substituent are disordered [occupancies 0.52 (2)/0.48 (2)].

  17. 新筛选菌种Delftia sp.XYJ5生物降解苯胺的途径%Biodegradation of Aniline by a Newly Isolated Delftia sp. XYJ6

    Institute of Scientific and Technical Information of China (English)

    肖诚斌; 宁君; 闫海; 孙旭东; 胡继业

    2009-01-01

    A promising gram-negative bacterial strain for the biodegradation of aniline as the sole carbon, nitrogen and energy sources was successfully isolated and identified as Delftia sp. XYJ6. The optimal temperature and pH for both the growth of Delftia sp. XYJ6 and the biodegradation of aniline were 30℃ and 7.0, respectively. Initial aniline of 2000 mg·L1 could be completely removed by the strain at 22 h, which showed that Delftia sp. XYJ6 had a strong ability in the biodegradation of aniline. It indicated that aniline was firstly converted to catechol catalyzed by aniline dioxygenase as a first product, which was then further biodegraded to cis,cis-muconic acid catalyzed by the catechol 1,2-dioxygenase of Delftia sp. XYJ6 as a second product. Cis,.cid-muconic acid could also be further biodegraded to other small compound again. The pathway for the biodegradation of aniline by Delftia sp. XYJ6 was not previously reported.

  18. Preparation, Spectroscopy, Physicochemical Properties and X-ray Structure Analysis of 3,4,5-Trimethoxy N(2-hydroxybenzylidene aniline

    Directory of Open Access Journals (Sweden)

    Kodjo Charles Guillaume

    2009-01-01

    Full Text Available 3,4,5-Trimethoxy N-(salicylidene aniline was synthesized and characterized by IR spectroscopy, 1H NMR and x-ray single crystal analysis. UV-visible spectroscopy was used for physicochemical tests. X-ray data reveals that the crystalline network cohesion of this compound is essentially assured by CH/pi type hydrogen bounds. It crystallized in the orthorhombic Pbcn space group. Electronic spectroscopy shows that the title compound doesn't present photochromic property but thermochromic one. Intermolecular interactions analysis confirms for this compound a thermochromic structural predisposition.

  19. Fate of aniline and sulfanilic acid in UASB bioreactors under denitrifying conditions.

    Science.gov (United States)

    Pereira, Raquel; Pereira, Luciana; van der Zee, Frank P; Madalena Alves, M

    2011-01-01

    Two upflow anaerobic sludge blanket (UASB) reactors were operated to investigate the fate of aromatic amines under denitrifying conditions. The feed consisted of synthetic wastewater containing aniline and/or sulfanilic acid and a mixture of volatile fatty acids (VFA) as the primary electron donors. Reactor 1 (R1) contained a stoichiometric concentration of nitrate and Reactor 2 (R2) a stoichiometric nitrate and nitrite mixture as terminal electron acceptors. The R1 results demonstrated that aniline could be degraded under denitrifying conditions while sulfanilic acid remains. The presence of nitrite in the influent of R2, caused a chemical reaction that led to immediate disappearance of both aromatic amines and the formation of an intense yellow coloured solution. HPLC analysis of the influent solution, revealed the emergence of three product peaks: the major one at retention time (R(t)) 14.3 min and two minor at R(t) 17.2 and 21.5 min. In the effluent, the intensity of the peaks at R(t) 14.3 and 17.2 min was very low and of that at R(t) 21.5 min increased (∼3-fold). Based on the mass spectrometry analysis, we propose the structures of some possible products, mainly azo compounds. Denitrification activity tests suggest that biomass needed to adapt to the new coloured compounds, but after a 3 days lag phase, activity is recovered and the final (N(2) + N(2)O) is even higher than that of the control.

  20. Baeyer-Villiger oxidation of ketones with hydrogen peroxide catalyzed by Sn-aniline complex

    Institute of Scientific and Technical Information of China (English)

    Qing Hua Zhang; Shou Feng Wang; Zi Qiang Lei

    2007-01-01

    Sn-aniline complex was prepared by a simple procedure. Cyclic and acyclic ketones were oxidized into lactones or esters with very high selectivity and yield with 30% hydrogen peroxide in the presence of Sn-aniline complex.

  1. Research of Influence of Aniline on the Growth of Ocean Algae

    Institute of Scientific and Technical Information of China (English)

    QIU Haiyuan; WANG Xian

    2005-01-01

    This article discusses the interaction of aniline and ocean algae based on the standard appraisal method of chemical medicine for algae toxicity. It is showed by experimental results that aniline has pretty toxic effects on algae. Suspended substances in water can offset some effects of aniline. It also discusses the dynamic constant of first order degradation reaction rate of algae on aniline from the point of view of chemical dynamics.

  2. Pseudo-Four Component Synthesis of Mono- and Di-Benzylated-1,2,3-Triazoles Derived from Aniline

    Directory of Open Access Journals (Sweden)

    Daniel Mendoza-Espinosa

    2013-12-01

    Full Text Available The pseudo-four component click synthesis of dibenzylated 1,2,3-triazoles derived from aniline is reported. The cycloaddition of sodium azide to N-(prop-2-ynyl-benzenamine (I in the presence of equimolar amounts of p-substituted benzyl derivatives, yields a mixture of mono- and dibenzylated 1,2,3-triazoles. When two equivalents of the benzyl derivative are added to the multicomponent reaction, the selective preparation of the dibenzylated compounds is achieved. The reactivity of the aniline N-H bond in monobenzylated 1,2,3-triazoles was tested by treatment with one equivalent of a p-substituted benzyl chloride at 40 °C, rendering the dibenzylated derivatives quantitatively.

  3. Separation of Aniline Derivatives by Micellar Electrokinetic Capillary Chromatography

    Institute of Scientific and Technical Information of China (English)

    Jun LI; Zhuo Bin YUAN

    2004-01-01

    A micellar electrokinetic capillary chromatography (MECC) was developed for the determination of aniline and 6 substituted anilines.The seven components were separated within 25 min in the buffer solution of 40 mmol/L sodium borate and 100 mmol/L SDS.It was found that the separation was dependent on operating voltage, pH value, borate and SDS concentrations.The analytical performance was examined in terms of linear response and reproducibility.Wastewater was determined by the established method.

  4. p-Nitrophenol, phenol and aniline sorption by organo-clays.

    Science.gov (United States)

    Ko, Chun Han; Fan, Chihhao; Chiang, Po Neng; Wang, Ming Kuang; Lin, Kuo Chuan

    2007-10-22

    The aims of this study were to make use of organo-clays (i.e., Cloisite-10A, Cloisite-15A, Cloisite-30B and Cloisite-93A), to remove p-nitrophenol, phenol and aniline of organic pollutants. The organo-clays were characterized by X-ray diffraction (XRD). Sorption isotherm, kinetic and pH effect of p-nitrophenol, phenol and aniline sorbed by four organo-clays were evaluated. The d-spacings (001) of the XRD peak of Cloisite-10A, Cloisite-15A, Cloisite-30B and Cloisite-93A are 1.98, 2.76, 1.93 and 2.64 nm, respectively. The d(001)-spacings of XRD indicated that these p-nitropheno, phenol and aniline could penetrate into the interlayer of clays and expand the d(001)-spacings. The linear sorption isotherm of constant partition was employed to describe the sorption isotherms of phenols sorbed by organo-clays through hydrophobic-hydrophobic chemical reactions. The parabolic diffusion and power-function of kinetic models were employed to describe properly the kinetic experiments. The rate limiting step of the p-nitrophenol sorption reactions on organo-clays were diffusion-controlled processes (i.e., 15A, 30B, 93A) and chemical-controlled process for 10A organo-clays. The pre-exponential factor of the p-nitrophenol sorbed by four organo-clays showed the trend as follows: 10A> 30B> 93A> 15A. The efficiency of these organo-clays in removing phenol compounds in water treatments merit further study.

  5. Phytoremediation of polyaromatic hydrocarbons, anilines and phenols.

    Science.gov (United States)

    Harvey, Patricia J; Campanella, Bruno F; Castro, Paula M L; Harms, Hans; Lichtfouse, Eric; Schäffner, Anton R; Smrcek, Stanislav; Werck-Reichhart, Daniele

    2002-01-01

    Phytoremediation technologies based on the combined action of plants and the microbial communities that they support within the rhizosphere hold promise in the remediation of land and waterways contaminated with hydrocarbons but they have not yet been adopted in large-scale remediation strategies. In this review plant and microbial degradative capacities, viewed as a continuum, have been dissected in order to identify where bottle-necks and limitations exist. Phenols, anilines and polyaromatic hydrocarbons (PAHs) were selected as the target classes of molecule for consideration, in part because of their common patterns of distribution, but also because of the urgent need to develop techniques to overcome their toxicity to human health. Depending on the chemical and physical properties of the pollutant, the emerging picture suggests that plants will draw pollutants including PAHs into the plant rhizosphere to varying extents via the transpiration stream. Mycorrhizosphere-bacteria and -fungi may play a crucial role in establishing plants in degraded ecosystems. Within the rhizosphere, microbial degradative activities prevail in order to extract energy and carbon skeletons from the pollutants for microbial cell growth. There has been little systematic analysis of the changing dynamics of pollutant degradation within the rhizosphere; however, the importance of plants in supplying oxygen and nutrients to the rhizosphere via fine roots, and of the beneficial effect of microorganisms on plant root growth is stressed. In addition to their role in supporting rhizospheric degradative activities, plants may possess a limited capacity to transport some of the more mobile pollutants into roots and shoots via fine roots. In those situations where uptake does occur (i.e. only limited microbial activity in the rhizosphere) there is good evidence that the pollutant may be metabolised. However, plant uptake is frequently associated with the inhibition of plant growth and an

  6. Preparation of Poly(Aniline-co-p-Nitro Aniline by Spin-Coating and Study of the Effect of Thickness on Energy Gap

    Directory of Open Access Journals (Sweden)

    Hussein Falaihj HUSSEIN

    2014-05-01

    Full Text Available Thin films of a copolymer of aniline with p-nitro aniline were prepared from a dimethyl sulfoxide solution (DMSO by spin-coating. The solution of the polymer was spread on cover glass and at room temperature. The optical properties of the poly(aniline-co-p-nitro aniline were investigated at room temperature. An absorbance, transmission and reflectance were determined from UV-visible measurements. The absorption coefficients and bang gap of films material were developed. The thickness of the poly(aniline-co-p-nitro aniline thin layer on the glass was determined at the range from 1055 to 2033 nm.doi:10.14456/WJST.2014.19

  7. Laser-induced thermal desorption of aniline from silica surfaces

    Science.gov (United States)

    Voumard, Pierre; Zenobi, Renato

    1995-10-01

    A complete study on the energy partitioning upon laser-induced thermal desorption of aniline from silica surfaces was undertaken. The measurements include characterization of the aniline-quartz adsorption system using temperature-programmed desorption, the extrapolation of quasiequilibrium desorption temperatures to the regime of laser heating rates on the order of 109-1010 K/s by computational means, measurement of the kinetic energy distributions of desorbing aniline using a pump-probe method, and the determination of internal energies with resonance-enhanced multiphoton ionization spectroscopy. The measurements are compared to calculations of the surface temperature rise and the resulting desorption rates, based on a finite-difference mathematical description of pulsed laser heating. While the surface temperature of laser-heated silica reaches about 600-700 K at the time of desorption, the translational temperature of laser-desorbed aniline was measured to be Tkin=420±60 K, Tvib was 360±60 K, and Trot was 350±100 K. These results are discussed using different models for laser-induced thermal desorption from surfaces.

  8. Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated [pi]-Systems

    Energy Technology Data Exchange (ETDEWEB)

    Rajca, Andrzej; Boraty; #324; ski, Przemys; #322; aw J.; Olankitwanit, Arnon; Shiraishi, Kouichi; Pink, Maren; Rajca, Suchada (UNL); (Indiana)

    2012-04-30

    We describe the synthesis and electronic properties of ladder oligomers of poly(m-aniline) that may be considered as derivatives of azaacenes with cross-conjugated {pi}-systems. Syntheses of ladder oligo(m-aniline)s with 9 and 13 collinearly fused six-membered rings employed Pd-catalyzed aminations and Friedel-Crafts-based ring closures. Structures were confirmed by either X-ray crystallography or correlations between DFT-computed and experimental spectroscopic data such as {sup 1}H, {sup 13}C, and {sup 15}N NMR chemical shifts and electronic absorption spectra. All compounds have planar 'azaacene' moieties. The experimental band gaps E{sub g} {approx} 3.5-3.65 eV, determined by the UV-vis absorption onsets, were in agreement with the TD-DFT-computed vertical excitation energies to the S{sub 1} state. Fluorescence quantum yields of up to 20% were found. Electrochemically estimated HOMO energies of -4.8 eV suggested propensity for a facile one-electron oxidation and just sufficient environmental stability toward oxygen (O{sub 2}). For two oligomers with 'tetraazanonacene' moieties, potentials of E{sup 4+/3+} {approx} 1.6-1.7 V vs SCE were determined for four-electron oxidation to the corresponding tetraradical tetracations.

  9. Crystal structures, spectroscopic and theoretical study of novel Schiff bases of 2-(methylthiomethyl)anilines.

    Science.gov (United States)

    Olalekan, Temitope E; Adejoro, Isaiah A; VanBrecht, Bernardus; Watkins, Gareth M

    2015-03-15

    New Schiff bases derived from p-methoxysalicylaldehyde and 2-(methylthiomethyl)anilines (substituted with methyl, methoxy, nitro) were synthesized and characterized by elemental analyses, FT-IR, NMR, electronic spectra and quantum chemical calculations. X-ray crystallography of two compounds showed the solid structures are stabilized by intramolecular and intermolecular H-bonds. The effect of OH⋯N interaction between the phenolic hydrogen and imine nitrogen on the proton and carbon NMR shifts, and the role of CH⋯O and CH⋯S contacts are discussed. The bond lengths and angles, (1)H and (13)C NMR data, E(LUMO-HOMO), dipole moments and polarizability of the compounds were predicted by density functional theory, DFT (B3LYP/6-31G∗∗) method. The experimental geometric parameters and the NMR shifts were compared with the calculated values, which gave good correlations. The electronic effects of aryl ring substituents (methyl, methoxy and nitro) on the properties of the resulting compounds, such as the color, NMR shifts, electronic spectra and the calculated energy band gaps, dipole moments and polarizability are discussed. Increase in electron density shifted the phenolic proton resonance to lower fields. The methoxy-substituted compound has a small dipole moment and subsequent large polarizability value. Highest polarity was indicated by the nitro compound which also showed high polarizability due to its larger size. The energy gaps obtained from E(LUMO-HOMO) calculations suggest these compounds may have applications as organic semiconducting materials.

  10. Crystal structures, spectroscopic and theoretical study of novel Schiff bases of 2-(methylthiomethyl)anilines

    Science.gov (United States)

    Olalekan, Temitope E.; Adejoro, Isaiah A.; VanBrecht, Bernardus; Watkins, Gareth M.

    2015-03-01

    New Schiff bases derived from p-methoxysalicylaldehyde and 2-(methylthiomethyl)anilines (substituted with methyl, methoxy, nitro) were synthesized and characterized by elemental analyses, FT-IR, NMR, electronic spectra and quantum chemical calculations. X-ray crystallography of two compounds showed the solid structures are stabilized by intramolecular and intermolecular H-bonds. The effect of OH⋯N interaction between the phenolic hydrogen and imine nitrogen on the proton and carbon NMR shifts, and the role of CH⋯O and CH⋯S contacts are discussed. The bond lengths and angles, 1H and 13C NMR data, ELUMO-HOMO, dipole moments and polarizability of the compounds were predicted by density functional theory, DFT (B3LYP/6-31G∗∗) method. The experimental geometric parameters and the NMR shifts were compared with the calculated values, which gave good correlations. The electronic effects of aryl ring substituents (methyl, methoxy and nitro) on the properties of the resulting compounds, such as the color, NMR shifts, electronic spectra and the calculated energy band gaps, dipole moments and polarizability are discussed. Increase in electron density shifted the phenolic proton resonance to lower fields. The methoxy-substituted compound has a small dipole moment and subsequent large polarizability value. Highest polarity was indicated by the nitro compound which also showed high polarizability due to its larger size. The energy gaps obtained from ELUMO-HOMO calculations suggest these compounds may have applications as organic semiconducting materials.

  11. The Optimization of Aniline Adsorption from Aqueous Solutions by Raw Bentonite and Bentonite Modified with Cationic Surfactants Using the Taguchi Model

    Directory of Open Access Journals (Sweden)

    F. Taherkhani

    2015-04-01

    Full Text Available Introduction & Objectives: Aniline is an organic compound widely used in various industries. The release of this compound has had various environmental impacts. Thus, the assessment of efficient and practical methods for the removal of aniline from wastewater of these industries is remarkable. Taguchi model is a model for the analysis of experiments, that predicts both the effects of each factors and the optimum level of them using a certain number of experiment. The purpose of this study was the optimization of aniline adsorption on the raw and modified bentonite with a cationic surfactant using Taguchi model. Materials & Methods: In this experimental study, the raw bentonite and modified bentonite was prepared in a few steps. Then, 4 main factors (i.e. pollutant concentration, contact time, pH, and adsorbent dosage on 4 levels were selected by Matrix L16 trials and the experiments were conducted in this matrix. The factors were also ranked based on the R-value. Then , the data were analyzed with Minitab 17 software. Finally, the adsorption of aniline on raw and modified bentonite was determined in optimal conditions. Results: The optimization of adsorption process using Taguchi model showed that the factors of importance for optimizing respectively were: contact time of 360 minutes, pH =10 pH, ani-line initial concentration of 300 mg/L and adsorbent dosages of 40 g/L. The maximum ad-sorption of aniline onto raw bentonite and modified bentonite with cationic surfactant in op-timal conditions were determined 81.86 and 8.75, respectively. The results revealed that Freundlich isotherm and pseudo-second-order kinetic model provided a better ?t to the ex-perimental data. Conclusion: The results showed that the bentonite modified with cationic surfactant is efficient in the removal of aniline. At the same time, since bentonite is cheap and easily accessible ,it is considered a desirable adsorbant. (Sci J Hamadan Univ Med Sci 2015; 22 (1:55-64

  12. Heterocyclyl linked anilines and benzaldehydes as precursors for biologically significant new chemical entities

    Indian Academy of Sciences (India)

    Raman K Verma; Vijay Kumar; Prithwish Ghosh; Lalit K Wadhwa

    2012-09-01

    Benzylidene and benzyl thiazolidinediones, oxazolidinediones, isoxazolidinediones and their acyclic analogs like alpha alkylthio/alkoxy phenylpropanoic acids, beta-keto esters and tyrosine-based compounds possess broad therapeutic potential in general and as Peroxisome Proliferator Activated Receptors (PPARs) agonists in particular in the management of hyperglycemia and hyperlipidaemia for the treatment of Type 2 Diabetes (T2D). We have synthesised and characterized some novel and suitably substituted heterocyclyl linked benzaldehydes and anilines, which can be easily and very readily derivatized to all the above mentioned classes to generate new chemical entities of broader biological significance. Synthesis of their benzylidene thiazolidinedione and diethyl malonate and also benzyl diethyl malonate and alpha-bromoesters derivatives is reported in some of the cases in the present work.

  13. X-ray analysis of 2-aniline benzo(2,3-) cyclopentane-1,3-dione

    Indian Academy of Sciences (India)

    Rajnikant; Dinesh; Mousmi; M B Deshmukh; Anshu Sawhney

    2004-08-01

    The molecular and crystal structure of 2-aniline benzo(2,3-) cyclopentane-1,3-dione has been determined by X-ray crystallographic techniques. This compound crystallizes in the orthorhombic space group 212121 with unit cell parameters: = 5.467(1), = 10.657(3), = 19.602(6) Å; = 1142.01(5) Å3, = 4. The crystal structure has been resolved up to an -factor 0.050 for 1129 reflections. All the three rings in the structure are planar. However, the dihedral angle between the phenyl ring and the moiety comprising of a five-membered and six-membered ring is 92.4°. The oxygen atom O1 acts as a trifurcated acceptor and is involved in the formation of three intermolecular interactions.

  14. Application of electrosynthesized poly(aniline-co-p-aminophenol) as a catechol sensor

    Energy Technology Data Exchange (ETDEWEB)

    Chen Chuanxiang [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China); Department of Chemistry, School of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China)], E-mail: cxchenyz@yahoo.com.cn; Sun Cheng [State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093 (China)], E-mail: envidean@nju.edu.cn; Gao Yuhua [Department of Chemistry, School of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003 (China)

    2009-03-30

    Poly(aniline-co-p-aminophenol) (copolymer) film was used as a sensor to determine the presence of catechol, taking advantage of the ability of the film to effectively catalyze the oxidation of catechol. The copolymer served as an electron transfer mediator between the electrode surface and catechol in the solution. The response current of the catechol sensor depended on the applied potential, pH and temperature at a given concentration of catechol. At optimum conditions, the catechol sensor displayed an excellent electrocatalytic response to the detection of catechol in a concentration range from 5 to 500 {mu}M with a detection limit of 0.8 {mu}M. The effects of selected organic compounds on the response of the catechol sensor were studied. Together, these findings show that the catechol sensor exhibits a better selectivity towards interfering species and a better operational and storage stability.

  15. Efficient Route to Deuterated Aromatics by the Deamination of Anilines.

    Science.gov (United States)

    Burglova, Kristyna; Okorochenkov, Sergei; Hlavac, Jan

    2016-07-15

    One-step replacement of NH2 groups in ring-substituted anilines by deuterium is reported. Approaches comprising both solid-phase and solution-phase syntheses can be used on a large variety of substrates. The method uses diazotization in a mixture of water and either dichloromethane or chloroform, which serve as a source of hydrogen. This protocol can be used as a general method for fast and easy incorporation of deuterium into an aromatic system using deuterated chloroform.

  16. Effect of Different Electrode Materials on the Electropolymerization Process of Aniline in Nitric Acid Media

    Science.gov (United States)

    Li, Yaozong; Yi, Yun; Yang, Weifang; Liu, Xiaoqing; Li, Yuanyuan; Wang, Wei

    2017-02-01

    The electropolymerization process of aniline on different electrode surfaces such as Pt, Au, RuTi and polyaniline film in nitric acid solution containing 1 M aniline was investigated by cyclic voltammetry and electrochemical impedance spectroscopy. Proposed electrical equivalent circuits were used to give a further analysis. Results show that the electrode materials accelerate the aniline electropolymerization remarkably as a catalyst, especially the electrochemical oxidation process of monomer aniline to its cation radical, which is the key step to incur the electropolymerization reaction of aniline on the electrode surface. The polymerization of aniline on RuTi electrode has the lowest reaction resistance for its adsorption sites, and the catalytic effects of these different electrodes decrease in the order: RuTi > polyaniline film > Pt > Au. The results also show that several states of polyaniline films are formed during the potential linear scan process in nitric acid solution and the corresponding oxidation and reduction reaction are reversible.

  17. Effect of Different Electrode Materials on the Electropolymerization Process of Aniline in Nitric Acid Media

    Science.gov (United States)

    Li, Yaozong; Yi, Yun; Yang, Weifang; Liu, Xiaoqing; Li, Yuanyuan; Wang, Wei

    2016-11-01

    The electropolymerization process of aniline on different electrode surfaces such as Pt, Au, RuTi and polyaniline film in nitric acid solution containing 1 M aniline was investigated by cyclic voltammetry and electrochemical impedance spectroscopy. Proposed electrical equivalent circuits were used to give a further analysis. Results show that the electrode materials accelerate the aniline electropolymerization remarkably as a catalyst, especially the electrochemical oxidation process of monomer aniline to its cation radical, which is the key step to incur the electropolymerization reaction of aniline on the electrode surface. The polymerization of aniline on RuTi electrode has the lowest reaction resistance for its adsorption sites, and the catalytic effects of these different electrodes decrease in the order: RuTi > polyaniline film > Pt > Au. The results also show that several states of polyaniline films are formed during the potential linear scan process in nitric acid solution and the corresponding oxidation and reduction reaction are reversible.

  18. Synthesis by plasma of halogenated poly anilines; Sintesis por plasma de polianilinas halogenadas

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez, M.A.; Olayo, M.G.; Cruz, G.J. [Facultad de Quimica, UAEM, 50000 Toluca, Estado de Mexico (Mexico)

    2002-07-01

    In this work polymerization by plasma of aniline with iodine and chlorine bonded chemically to the aniline ring were realized. The results of the synthesis and characterizations are compared with those ones obtained starting from the poly aniline synthesis (P An) doped with iodine, where the dopant was aggregated in the moment of the polymerization. The objective is to study the dopant behavior in the synthesis by plasma in function of the properties of these polymers. (Author)

  19. Relative Abundance and the Relationships between Aniline,Phenol and Catechol Degraders in Fresh Water

    Institute of Scientific and Technical Information of China (English)

    MasaoNasu; NevilGOONEWARDENA; 等

    1993-01-01

    Relative abundance and relationships between aniline,phenol and catechol degraders were investigated in unpolluted and polluted fresh waters in Osaka prefectur,Japan,Phenol and catechol degraders were found more frequently compared to aniline degraders.The results indicate that these degraders were more abundant in polluted waters than in unpolluted waters.Aniline degraders isolated from the Ina River water showed a higher capability of degrading catechol than phenol.Analysis on sequence homology among these three kinds of degraders indicated a possible relationship between aniline degraders and certain strains of both catechol and phenol degraders.

  20. Assessing the impact of modifications neoprene adhesives amine-containing compounds the mechanisms to improve adhesion

    OpenAIRE

    KABLOV V.F.; KEYBAL N.A.; S. N. Bondarenko; RUDENKO K.U.; Zaikov, G. E.

    2015-01-01

    Possible mechanisms for an increase in the adhesion parameters of neopren-based adhesive compositions modified with adhesion promoters on the basis of epoxy compounds and aniline derivatives are studied.

  1. COD Removal Efficiencies of Some Aromatic Compounds in Supercritical Water Oxidation

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Some aromatic compounds, phenol, aniline and nitrobenzene, were oxidized in supercritical water. It was experimentally found that the chemical oxygen demand (COD) removal efficiency of these organic compounds can achieve a high level more than 90% in a short residence time at temperatures high enough. As temperature, pressure and residence time increase, the COD removal efficiencies of the organic compounds would all increase. It is also found that temperature and residence time offer greater influences on the oxidation process than pressure. The difficulty in oxidizing these three compounds is in the order of nitrobenzene > aniline > Phenol. In addition, it is extremely difficult to oxidize aniline and nitrobenzene to CO2 and H2O at the temperature lower than 873.15 K and 923.15 K, respectively. Only at the temperature higher than 873.15 K and 923.15 K, respectively, the COD removal efficiencies of 90% of aniline and nitrobenzene can be achieved.

  2. Soil-Column Test on Aniline Degradation in Riverbank Filtration under Denitrification Conditions

    Institute of Scientific and Technical Information of China (English)

    Wu Yaoguo; Wang Hui; Zhang Wencun; Sun Weijian

    2005-01-01

    Drinking water is at risk from aniline pollution and thus aniline degradation and its mechanism have received much attention. In this paper, a soil column, including sediments and aquifer media, was collected from the Weihe riverbed and its bank, and used to research the characteristics of aniline degradation in the riverbank filtration process under denitrification conditions. The results indicate that all aniline could be degraded by the habituated indigenous microbes, and even mostly mineralized under denitrification conditions, but with a long lag phase. Some aniline degradation must involve deamination, while the majority undergoes covalent binding with humic substances to form complexes, and the complexes are easily degraded and even mineralized. During the degradation no intermediates were harmful to denitrifiers. Therefore, under denitrifaction conditions, aniline is degraded in RBF, and up to now aniline has not been monitored in the groundwater along the polluted river. During the 153 d testing process, the nitrate-nitrogen concentration was about 23.0 mg/L, and aniline concentrations were 40, 80 or 400 mg/L at 0-74 d, 75-105 d and 106-153 d respectively in infiltrating water. Indigenous microbes pass a lag period of 37 d, and grow on aniline as the source of carbon in the RBF under denitrification conditions. Aniline concentration in leachate was lower than the detected limits, so its removal rate was 100 %. Total organic carbon (TOC) removal rates were 97.99 %, 91.39 % and 75.30 % for 40, 80 and 400 mg/L aniline concentrations respectively, based on TOC monitored in infiltrating water and leachate.

  3. Pro-Apoptotic Activity of 4-Isopropyl-2-(1-Phenylethyl) Aniline Isolated from Cordyceps bassiana.

    Science.gov (United States)

    Kim, Mi Seon; Lee, Yunmi; Sung, Gi-Ho; Kim, Ji Hye; Park, Jae Gwang; Kim, Han Gyung; Baek, Kwang Soo; Cho, Jae Han; Han, Jaegu; Lee, Kang-Hyo; Hong, Sungyoul; Kim, Jong-Hoon; Cho, Jae Youl

    2015-07-01

    Cordyceps species including Cordyceps bassiana are a notable anti-cancer dietary supplement. Previously, we identified several compounds with anti-cancer activity from the butanol fraction (Cb-BF) of Cordyceps bassiana. To expand the structural value of Cb-BF-derived anti-cancer drugs, we employed various chemical moieties to produce a novel Cb-BF-derived chemical derivative, KTH-13-amine-monophenyl [4-isopropyl-2-(1-phenylethyl) aniline (KTH-13-AMP)], which we tested for anti-cancer activity. KTH-13-AMP suppressed the proliferation of MDA-MB-231, HeLa, and C6 glioma cells. KTH-13-AMP also dose-dependently induced morphological changes in C6 glioma cells and time-dependently increased the level of early apoptotic cells stained with annexin V-FITC. Furthermore, the levels of the active full-length forms of caspase-3 and caspase-9 were increased. In contrast, the levels of total forms of caspases-3, caspase-8, caspase-9, and Bcl-2 were decreased in KTH-13-AMP treated-cells. We also confirmed that the phosphorylation of STAT3, Src, and PI3K/p85, which is linked to cell survival, was diminished by treatment with KTH-13-AMP. Therefore, these results strongly suggest that this compound can be used to guide the development of an anti-cancer drug or serve as a lead compound in forming another strong anti-proliferative agent.

  4. Synthesis and Structure of a Novel Disulfide-Containing Aniline

    Institute of Scientific and Technical Information of China (English)

    DENG,Shi-Ren; WU,Lei; WANG,Hao; ZHOU,Bin; LI,Zao-Ying

    2004-01-01

    @@ A novel disulfide-containing aniline, 8-dihydro-1H,4H-2,3,6,7-tetrathia-anthracen-9-ylamine (5) was synthesized.The single-crystal X-ray analysis of 4 indicates that the molecular has a non-planar structure, with its four sulfur atoms out of the plane of benzene ting. The designed molecular has the advantage of high theoretic specific capacity and reversibility,[1,2] when it is to be polymerized and used as the cathode material of the secondary lithium batteries.

  5. Indirect Electrochemical Oxidation of 4-Amino-dimethyl-aniline Hydrochloride

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The indirect electrochemical oxidation of 4-amino-dimethyl-aniline hydrochloride containing wastewater generated from vanillin production is presented. Experiments were conducted at a constant current density of 30 mA/cm2 via a Ti/Ru-Ti-Sn ternary oxide coated anode and an undivided reactor. During the various stages of the electrolysis, parameters such as the values of chemical oxygen demand (COD) and total organic carbon (TOC) were determined in order to evaluate the feasibility of the electrochemical treatment. The energy consumption and the current efficiency during the electrolysis were calculated. The present study proves the effectiveness of the electrochemical treatment for wastewater resulted from vanillin production.

  6. Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes

    DEFF Research Database (Denmark)

    Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper Skov

    2014-01-01

    We report on the synthesis and characterization of fluorescent halogen substituted anthracene-bridge-aniline (ABA) supermolecules that undergo structural reorganization on photoexcitation to form transient complexes. The syntheses were achieved in high yields on a large scale and the molecular...... structures were confirmed by single crystal X-ray diffraction. The photophysics of the ABA supermolecules were investigated using steady state and time resolved optical spectroscopy. Despite the presence of heavy atoms the series of ABA molecules have high quantum yields of fluorescence from both a locally...

  7. Colorimetric Detection of Aniline Based on Di(hydroxymethyl)-di-(2-pyrrolyl)methane-TCNQ System

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    The blue color system of supramolecular assembly formed by di(hydroxymethyl)di-(2-pyrrolyl)methane and tetracyanoquinodimethane (TCNQ) may be used for effective and selective detection of aniline through the visual color change in CH3CN/H2O mixed solvent. The excellent properties of the system make the supramolecular assembly to be a highly selective colorimetric probe for aniline.

  8. Degradation of aniline by heterogeneous Fenton's reaction using a Ni-Fe oxalate complex catalyst.

    Science.gov (United States)

    Liu, Yucan; Zhang, Guangming; Fang, Shunyan; Chong, Shan; Zhu, Jia

    2016-11-01

    A Ni-Fe oxalate complex catalyst was synthesized and characterized by means of Brunauer-Emmet-Teller (BET) method, scanning electron microscope (SEM) and X-ray photo-electron spectroscopy (XPS). The catalyst showed good catalytic activity for aniline degradation by heterogeneous Fenton's reaction, in which the synergetic index was 9.3. The effects of reaction temperature, catalyst dosage, hydrogen peroxide concentration and initial pH were investigated. Under the optimum conditions (T = 293 K, catalyst dosage = 0.2 g/L, H2O2 concentration = 4 mmol/L and initial pH = 5.4), 100% aniline could be removed within 35 min, and approximately 88% deamination efficiency was achieved in 60 min. The aniline degradation process followed the pseudo-first-order kinetic (k = 0.177 min(-1)) with activation energy (Ea) of 49.4 kJ mol(-1). Aniline could be removed in a broad initial pH (3-8) due to the excellent pH-tolerance property of the catalyst. The detected ammonium ion indicated that deamination occurred during aniline degradation. It was proposed that deamination synchronized with aniline removal, and aniline was attacked by free radicals to generate benzoquinonimine and phenol. This system is promising for the removal of aniline from water.

  9. Isolation and characterization of aniline degradation slightly halophilic bacterium, Erwinia sp. Strain HSA 6.

    Science.gov (United States)

    Li, Junmin; Jin, Zexin; Yu, Binbin

    2010-07-20

    The isolated strain HSA6 is classified as Erwinia amylovora based on 16S rDNA sequence and the morphological and physiological properties. Strain HSA6 is the first reported E. amylovora in pure culture growing with aniline as sole electron donor and carbon source. The suitable pH for strain HSA6 is wide (from 5 to 11). Strain HSA6 is slightly halophilic with growth occurring at 0-10% (v/v) NaCl, and the suitable NaCl concentration for strain HSA6 is from 0% to 6%. The number of bacteria appeared to decrease with an increase in aniline concentration. The number of bacteria appeared to be constant as the wastewater concentration increased from 0% to 20%. However, the number of cells decreased with an increase in wastewater concentration from 30% to 50% and grew very slowly at 50%. The degradation rate of aniline was 100% at 0.5% aniline concentration after 24 h culture. The degradation rate of aniline was found to descend as the concentration of aniline increased from 0.5% to 3% and rose as the culture time increased. Strain HSA6 contains a plasmid with molecular weight higher than 42 kDA. Plasmid curing test and quantitative degradation test showed that strain requires the plasmid for aniline degradation. The gene cluster degrading aniline was determined in the plasmid by PCR amplification.

  10. Corrosion inhibition of aluminum with a series of aniline monomeric surfactants and their analog polymers in 0.5 M HCl solution

    Directory of Open Access Journals (Sweden)

    M.M. El-Deeb

    2015-07-01

    Full Text Available The inhibition effect of 3-(12-sodiumsulfonate dodecyloxy aniline monomeric surfactant (MC12 and its analog polymer Poly 3-(dodecyloxy sulfonic acid aniline (PC12 on the corrosion of aluminum in 0.5 M HCl solution was investigated using weight loss and potentiodynamic polarization techniques. The presence of these two compounds in 0.5 M HCl inhibits the corrosion of aluminum without modifying the mechanism of corrosion process. It was found that these inhibitors act as mixed-type inhibitors with anodic predominance as well as the inhibition efficiency increases with increasing inhibitor concentration, but decreases with raising temperature. Langmuir and Frumkin adsorption isotherms fit well with the experimental data. Thermodynamic functions for both dissolution and adsorption processes were determined. The obtained results from weight loss and potentiodynamic polarization techniques are in good agreement with contact angle measurements.

  11. Synthesis, spectroscopy, crystal structure and DFT studies of cobalt(III) complexes featuring dimethylglyoximate and aniline or p-bromoaniline ligands

    Science.gov (United States)

    Berradj, O.; Adkhis, A.; Bougherra, H.; Bruno, G.; Michaud, F.

    2017-03-01

    Two new cobalt(III) compounds [Co(Hdmg)2(Ani)2]NO3·2H2O (I) and [Co(Hdmg)2(Ani-Br)2]NO3·H2O (II), where Hdmg is the dimethylglyoximate monoanion, Ani is aniline and Ani-Br is p-bromoaniline, were synthesized and characterized using spectroscopic techniques including IR, UV-Visible, and X-ray diffraction. In the octahedral Co(III) complexes, the two dimethylglyoximato ions are coordinated to a cobalt atom in a planar configuration and are connected by intramolecular Osbnd H⋯O hydrogen-bonding. The nitrogen atoms of the two aniline ligands occupy the apical sites. A Density Functional Theory approach has been successfully used for the investigation of the nature of solid state interactions and determination of the whole molecular packing. It was found that the computational data are in good agreement with the experimental results.

  12. Terrestrial fate of coal-liquid constituents: behavior of alkyl anilines in soil

    Energy Technology Data Exchange (ETDEWEB)

    Felice, L.J.; Zachara, J.M.; Rogers, J.E.

    1982-07-01

    The low molecular weight aromatic amines (anilines) are important water soluble constituents of coal liquids. The impact of anilines released to the terrestrial environment will largely depend on their mobility and persistence. Studies were conducted to investigate those processes governing the mobility and persistence of the alkylanilines, namely, soil sorption and chemical/microbial degradation. Soil sorption measurements were conducted on aniline and several methyl substituted anilines on A and B horizons of a soil profile collected from Davies County, Kentucky. The magnitude of sorption was large in all horizons. Sorption in the B horizons was larger than in the A horizon for many of the anilines studied, indicating the importance of both the mineral matrix and organic carbon content of the soil in determining the magnitude of sorption. Results of these measurements indicate that movement of the anilines through the soil would be significantly attenuated by sorption reactions. Aniline sorption measurement in the A horizon after removal of the organic matter and in the B/sub 22/ horizon after removal of amorphous iron oxides and crystalline iron oxides indicate that organic matter largely controls aniline sorption in the A horizon, while crystalline iron oxides and phyllosilicates are important in the B horizons. The effects of pH on aniline sorption was also examined and shown to have significant effects on the magnitude of sorption in both A and B horizons. Soil degradation studies using /sup 14/C-3-methylaniline as a model for alkyl aniline degradation show that 3-methylaniline is readily metabolized by soil microorganisms during the 32-day period examined.

  13. Splenotoxicity associated with splenic sarcomas in rats fed high doses of D & C Red No. 9 or aniline hydrochloride.

    Science.gov (United States)

    Weinberger, M A; Albert, R H; Montgomery, S B

    1985-10-01

    A histopathologic review of F344 rat spleens from the National Toxicology Program-National Cancer Institute bioassays of barium salt of 5-chloro-2-(2-hydroxy-1-naphthalenyl)-azo-4-methylbenzenesulfonic acid [(D & C Red No. 9) CAS: 516-00-21] and aniline HCI (CAS: 142-04-1) was conducted to assess splenotoxic changes associated with splenic sarcomas induced by these aromatic amines. Four splenic changes--fatty metamorphosis (FM), splenic fibrosis (FIB), capsule hyperplasia (CH), and hemorrhage--were markedly increased in incidence and severity in males treated with high doses of either D & C Red No. 9 or aniline HCI. Females treated with high doses of either of these compounds showed similar but less severe changes. FIB and FM showed strong group correlations with tumor incidence (r greater than or equal to 0.87). All groups that demonstrated FM also demonstrated splenic sarcomas; groups without the FM lesions did not exhibit splenic tumors. The morphologic similarity of the FIB and CH lesions to the induced splenic sarcomas suggests that these lesions are preneoplastic. Moreover, the treatment-related splenic lesions appear to be precursors of the induced splenic sarcomas. Carcinogenicity studies with serial sacrifices at varying intervals will be required for experimental verification of these conclusions. A schema, based on the findings of the study, suggests a hypothetical pathway for the progression of the treatment-related splenic lesions from onset to tumor formation.

  14. Rapid and direct spectrophotometric method for kinetics studies and routine assay of peroxidase based on aniline diazo substrates.

    Science.gov (United States)

    Mirazizi, Fatemeh; Bahrami, Azita; Haghbeen, Kamahldin; Shahbani Zahiri, Hossein; Bakavoli, Mehdi; Legge, Raymond L

    2016-12-01

    Peroxidases are ubiquitous enzymes that play an important role in living organisms. Current spectrophotometrically based peroxidase assay methods are based on the production of chromophoric substances at the end of the enzymatic reaction. The ambiguity regarding the formation and identity of the final chromophoric product and its possible reactions with other molecules have raised concerns about the accuracy of these methods. This can be of serious concern in inhibition studies. A novel spectrophotometric assay for peroxidase, based on direct measurement of a soluble aniline diazo substrate, is introduced. In addition to the routine assays, this method can be used in comprehensive kinetics studies. 4-[(4-Sulfophenyl)azo]aniline (λmax = 390 nm, ɛ = 32 880 M(-1) cm(-1) at pH 4.5 to 9) was introduced for routine assay of peroxidase. This compound is commercially available and is indexed as a food dye. Using this method, a detection limit of 0.05 nmol mL(-1) was achieved for peroxidase.

  15. Degradation kinetics and mechanism of aniline by heat-assisted persulfate oxidation

    Institute of Scientific and Technical Information of China (English)

    Xiaofang Xie; Yongqing Zhang; Weilin Huang; Shaobing Huang

    2012-01-01

    Oxidation of aniline by persulfate in aqueous solutions was investigated and the reaction kinetic rates under different temperature,persulfate concentration and pH conditions were examined in batch experiments.The results showed that,the aniline degradation followed pseudo first-order reaction model.Aniline degradation rate increased with increasing temperature or persulfate concentration.In the pH range of 3 to 11,a low aniline degradation rate was obtained at strong acid system (pH 3),while a high degradation rate was achieved at strong alkalinity (pH 11).Maximum aniline degradation occurred at pH 7 when the solution was in a weak level of acid and alkalinity (pH 5,7 and 9).Produced intermediates during the oxidation process were identified using liquid chromatography-mass spectrometry technology.And nitrobenzene,4-4'-diaminodiphenyl and 1-hydroxy-1,2-diphenylhydrazine have been identified as the major intermediates of aniline oxidation by persulfate and the degradation meehanism of aniline was also tentatively proposed.

  16. Biodegradation of aniline by Candida tropicalis AN1 isolated from aerobic granular sludge

    Institute of Scientific and Technical Information of China (English)

    Dianzhan Wang; Guanyu Zheng; Shimei Wang; Dewei Zhang; Lixiang Zhou

    2011-01-01

    Aniline-degrading microbes were cultivated and acclimated with the initial activated sludge collected from a chemical wastewater treatment plant.During the acclimation processes,aerobic granular sludge being able to effectively degrade aniline was successfully formed,from which a preponderant bacterial strain was isolated and named as ANi.Effects of factors including pH,temperature,and second carbon/nitrogen source on the biodegradation of aniline were investigated.Results showed that the optimal conditions for the biodegradation of aniline by the strain AN1 were at pH 7.0 and 28-35°C.At the optimal pH and temperature,the biodegradation rate of aniline could reach as high as 17.8 mg/(L.hr) when the initial aniline concentration was 400 mg/L.Further studies revealed that the addition of 1 g/L glucose or ammonium chloride as a second carbon or nitrogen source could slightly enhance the biodegradation efficiency from 93.0% to 95.1%-98.5%.However,even more addition of glucose or ammonium could not further enhance the biodegradation process but delayed the biodegradation of aniline by the strain AN1.Based on morphological and physiological characteristics as well as the phylogenetic analysis of 26S rDNA sequences,the strain AN1 was identified as Candida tropicalis.

  17. Magnetism of aniline modified graphene-based materials

    Science.gov (United States)

    Komlev, A. A.; Makarova, T. L.; Lahderanta, E.; Semenikhin, P. V.; Veinger, A. I.; Tisnek, T. V.; Magnani, G.; Bertoni, G.; Pontiroli, D.; Ricco, M.

    2016-10-01

    The possibility of producing magnetic graphene nanostructures by functionalization with aromatic radicals has been investigated. Functionalization of graphene basal plane was performed with three types of anilines: 4-bromoaniline, 4-nitroaniline and 4-chloroaniline. The samples were examined by composition analysis with energy-dispersive X-ray spectroscopy and magnetic measurements by SQUID magnetometry and electron paramagnetic resonance. Initial graphene was produced by thermal exfoliation. Both pristine and functionalized samples demonstrate strong paramagnetic contribution at low temperatures, which originates from intrinsic defects. Attachment of an organic molecule with the formation of a covalent bond with carbon atom on the basal plane generates a delocalized spin in the graphene π - electron system. Nitroaniline proved to be the most suitable and sufficiently reactive to attach to the basal plane carbon atoms in large amounts. Functionalization of graphene with nitroaniline resulted in appearance both ferromagnetic and antiferromagnetic features with a clear antiferromagnetic transition near 120 K.

  18. Nanoparticle formation and thin film deposition in aniline containing plasmas

    Science.gov (United States)

    Pattyn, Cedric; Dias, Ana; Hussain, Shahzad; Strunskus, Thomas; Stefanovic, Ilija; Boulmer-Leborgne, Chantal; Lecas, Thomas; Kovacevic, Eva; Berndt, Johannes

    2016-09-01

    This contribution deals with plasma based polymerization processes in mixtures of argon and aniline. The investigations are performed in a capacitively coupled RF discharge (in pulsed and continuous mode) and concern both the observed formation of nanoparticles in the plasma volume and the deposition of films. The latter process was used for the deposition of ultra-thin layers on different kind of nanocarbon materials (nanotubes and free standing graphene). The analysis of the plasma and the plasma chemistry (by means of mass spectroscopy and in-situ FTIR spectroscopy) is accompanied by several ex-situ diagnostics of the obtained materials which include NEXAFS and XPS measurements as well as Raman spectroscopy and electron microscopy. The decisive point of the investigations concern the preservation of the original monomer structure during the plasma polymerization processes and the stability of the thin films on the different substrates.

  19. Direct amination of benzene to aniline with several typical vanadium complexes

    Institute of Scientific and Technical Information of China (English)

    Yu Fen Lv; Liang Fang Zhu; Qiu Yuan Liu; Bin Guo; Xiao Ke Hu; Chang Wei Hu

    2009-01-01

    The liquid-phase direct catalytic amination of benzene to aniline was performed in acetic acid water solvent using a series of vanadium(Ⅲ,Ⅳ,Ⅴ)complexes with N,O-or O,O-ligands as catalysts and hydroxylamine hydrochloride as the aminating agent.The vanadium complexes exhibited much higher selectivity towards the production of aniline than NaVO3 or VOSO4.Under the optimized conditions,an aniline yield of 42.5% and a TON of 48 with a high selectivity of above 99.9% was obtained using 0.2 mmol of[VO(OAc)2]as the catalyst.

  20. Vibrational predissociation of aniline(water)n+ (n = 1-12)

    Science.gov (United States)

    Roy, Madhusudan; Kim, Kuk Ki; Song, Jae Kyu; Choe, Joong Chul; Park, Seung Min

    2016-05-01

    Vibrational predissociation dynamics of aniline(water)n+ cluster ions formed via resonance two photon ionization followed by the absorption of single infrared photon was investigated. A linear tandem time of flight mass spectrometer designed for this research was tested by the dissociation of aniline+ at 266 nm and observed decay constant matched well with the previous result. The rate of dissociation of aniline(water)n+ cluster increased with internal energy, whereas decreased with increasing the size of cluster, manifesting that the intramolecular vibrational energy redistribution precedes VP. The internal energies of the cluster ions were estimated from comparing the experimental and Rice-Ramsperger-Kassel-Marcus calculation results.

  1. Differentiation of N-from C-protonated aniline by neutralization-reionization.

    Science.gov (United States)

    Nold, M J; Wesdemiotis, C

    1996-10-01

    Amino- and ring-protonated aniline are distinguished in the gas phase by neutralization-reionization mass spectrometry. This method takes advantage of the dramatically different stabilities and reactivities of the neutralized forms of N- and C-protonated aniline, to ascertain thereby the specific protonation site(s). Fast atom bombardment ionization of aniline is found to yield primarily the anilinium cation (N-protonated tautomer). In contrast, chemical ionization with a variety of reagent gases is shown to generate mixtures in which the ring-protonated species predominates.

  2. Solid state photochromism and thermochromism of two related N-salicylidene anilines

    Energy Technology Data Exchange (ETDEWEB)

    Avadanei, Mihaela; Cozan, Vasile; Shova, Sergiu [“P.Poni” Institute of Macromolecular Chemistry, Iasi (Romania); Paixão, José António [Faculty of Sciences and Technology, Department of Physics, University of Coimbra (Portugal)

    2014-11-24

    Highlights: • Solid state photo- and thermochromism of two related N-salicylidene anilines are reported. • The optical properties were investigated in relation with the crystalline structure. • Only thermochromism is common for both compounds. • An explanation for the different photobehavior is proposed. - Abstract: The crystalline structure and optical properties of N-salicylidene-p-cyanoaniline and N-salicylidene-p-carboxyaniline were investigated in solid state (microcrystalline powder), with the purpose to connect the effects of substitution and crystal packing with their optical properties. Diffuse reflectance and fluorescence spectroscopy were used to study the absorption and emission properties upon photoirradiation and cooling down to the liquid nitrogen temperature. The Stokes-shifted fluorescence, with a quantum yield of about 10{sup −2}–10{sup −1}, is given by the tautomeric cis-keto species formed as a result of the excited state intramolecular proton transfer from the initial enol structure. Despite their similar geometrical parameters, only SA-COOH is photochromic, which is in contradiction with literature. On the other side, the thermochromism is especially strong at SA-CN. The study shows the behavior of SA-CN similar to that of a classical anil, while SA-COOH presents interesting features that contradict the presumed behavior based only on its supramolecular structure.

  3. In-situ copolymerization of aniline with alkyl amine by APS:Kinetics and application

    Institute of Scientific and Technical Information of China (English)

    M.Rashid; Shams Qamar Usmani; Suhail Sabir

    2008-01-01

    The kinetic study of in-situ copolymerization of aniline with o-and p-methylaniline by ammonium persulfate (APS) has been carried out.UV-vis spectroscopic method was used to investigate the course of copolymerization.Structural characterization was studied by FT-IR spectral analysis.The electronic spectra of the copolymers poly(aniline-co-p-toluidine) and poly(aniline-co-o-tolnidine) show blue shift.The shift has been observed in the bands corresponding to π→π* transition as well as in the exciton transition.The increase in absorbance recorded during the reaction for different concentration of aniline,o-and p-toluidine at various intervals of time of polymerization reaction indicates a growth in the polymer formation.The resulting first-order rateconstant was used to calculate the rate of copolymer formation using the rate equation-d[A]/dt=kcn.

  4. Laboratory shake flask batch tests can predict field biodegradation of aniline in the Rhine

    DEFF Research Database (Denmark)

    Toräng, Lars; Reuschenbach, P.; Müller, B.

    2001-01-01

    The aim of this study was to compare degradation rates of aniline in laboratory shake flask simulation tests with field rates in the river Rhine. The combined events of a low flow situation in the Rhine and residual aniline concentrations in the effluent from the BASF treatment plant...... in Ludwigshafen temporarily higher than normal, made it possible to monitor aniline at trace concentrations in the river water downstream the wastewater outlet by means of a sensitive GC headspace analytical method. Aniline was analyzed along a downstream gradient and the dilution along the gradient...... was calculated from measurements of conductivity, sulfate and a non-readily biodegradable substance, 1,4-dioxane. Compensating dilution, field first-order degradation rate constants downstream the discharge of BASF were estimated at 1.8 day(-1) for two different dates with water temperatures of 21.9 and 14...

  5. Prediction of moving bed biofilm reactor (MBBR) performance for the treatment of aniline using artificial neural networks (ANN).

    Science.gov (United States)

    Delnavaz, M; Ayati, B; Ganjidoust, H

    2010-07-15

    In this study, the results of 1-year efficiency forecasting using artificial neural networks (ANN) models of a moving bed biofilm reactor (MBBR) for a toxic and hard biodegradable aniline removal were investigated. The reactor was operated in an aerobic batch and continuous condition with 50% by volume which was filled with light expanded clay aggregate (LECA) as carrier. Efficiency evaluation of the reactors was obtained at different retention time (RT) of 8, 24, 48 and 72 h with an influent COD from 100 to 4000 mg/L. Exploratory data analysis was used to detect relationships between the data and dependent evaluated one. The appropriate architecture of the neural network models was determined using several steps of training and testing of the models. The ANN-based models were found to provide an efficient and a robust tool in predicting MBBR performance for treating aromatic amine compounds.

  6. Prediction of moving bed biofilm reactor (MBBR) performance for the treatment of aniline using artificial neural networks (ANN)

    Energy Technology Data Exchange (ETDEWEB)

    Delnavaz, M. [Tarbiat Modares University, Civil Engineering Department, Environmental Engineering Division, Tehran (Iran, Islamic Republic of); Ayati, B., E-mail: ayati_bi@modares.ac.ir [Tarbiat Modares University, Civil Engineering Department, Environmental Engineering Division, Tehran (Iran, Islamic Republic of); Ganjidoust, H. [Tarbiat Modares University, Civil Engineering Department, Environmental Engineering Division, Tehran (Iran, Islamic Republic of)

    2010-07-15

    In this study, the results of 1-year efficiency forecasting using artificial neural networks (ANN) models of a moving bed biofilm reactor (MBBR) for a toxic and hard biodegradable aniline removal were investigated. The reactor was operated in an aerobic batch and continuous condition with 50% by volume which was filled with light expanded clay aggregate (LECA) as carrier. Efficiency evaluation of the reactors was obtained at different retention time (RT) of 8, 24, 48 and 72 h with an influent COD from 100 to 4000 mg/L. Exploratory data analysis was used to detect relationships between the data and dependent evaluated one. The appropriate architecture of the neural network models was determined using several steps of training and testing of the models. The ANN-based models were found to provide an efficient and a robust tool in predicting MBBR performance for treating aromatic amine compounds.

  7. Selective photoreduction of nitrobenzene to aniline on TiO{sub 2} nanoparticles modified with amino acid

    Energy Technology Data Exchange (ETDEWEB)

    Huang Heyong; Zhou Jiahong [Key Lab of Biofunctional Materials of Jiangsu Province, Analysis and Testing Center, Nanjing Normal University, Nanjing 210097 (China); Department of Chemistry and Environmental Science, Nanjing Normal University, Nanjing 210097 (China); Liu Hailong [Department of Chemistry and Environmental Science, Nanjing Normal University, Nanjing 210097 (China); Zhou Yanhuai, E-mail: zhouyanhuai@njnu.edu.cn [Department of Physical Science and Technology, Nanjing Normal University, Nanjing 210097 (China); Feng Yuying, E-mail: yyfeng3@163.com [Key Lab of Biofunctional Materials of Jiangsu Province, Analysis and Testing Center, Nanjing Normal University, Nanjing 210097 (China) and Department of Chemistry and Environmental Science, Nanjing Normal University, Nanjing 210097 (China)

    2010-06-15

    The photoreduction of nitrobenzene (NB) on TiO{sub 2} nanoparticles modified with asparagine (Asp), serine (Ser), phenylalanine (Phe) and tyrosine (Tyr), which were found to bind to TiO{sub 2} via carboxyl group, have been investigated under high-pressure mercury irradiation. Modification of TiO{sub 2} with Asp, Ser and Phe resulted in enhanced photocatalytic degradation rate of NB and high selective activity to aniline (AN) compared to using bare TiO{sub 2}. Furthermore, NB degradation followed a reductive approach over Asp, Ser, Phe-modified TiO{sub 2} whether in additional of methanol or not. The result indicates that modification of TiO{sub 2} with electron-donating groups is an effective way to enhance photoreduction of nitroaromatic compounds.

  8. Competitive and cooperative adsorption behaviors of phenol and aniline onto nonpolar macroreticular adsorbents

    Institute of Scientific and Technical Information of China (English)

    ZHANG Wei-ming; CHEN Jin-long; PAN Bing-cai; ZHANG Quan-xing

    2005-01-01

    The adsorption behaviors of phenol and aniline on nonpolar macroreticular adsorbents( NDA100 and Amberlite XAD4) were investigated in single or binary batch system at 293K and 313K respectively in this study. The results indicated that the adsorption isotherms of phenol and aniline on both adsorbents in both systems fitted well Langmuir equation, which indicated a favourable and exothermic process. At the lower equilibrium concentrations, the individual amount adsorbed of phenol or aniline or macroreticular adsorbents in single-component systems was higher than those in binary-component systems because of the competition between phenol and aniline towards the adsorption sites. It is noteworthy, on the contrast, that at higher concentrations, the total uptake amounts of phenol and aniline in binary-component systems were obviously larger than that in single-component systems, and a large excess was noted on the adsorbent surface at saturation, which is presumably due to the cooperative effect primarily arisen from the hydrogen bonding or weak acidbase interaction between phenol and aniline.

  9. Functional identification of gene cluster for the aniline metabolic pathway mediated by transposable element

    Institute of Scientific and Technical Information of China (English)

    LIANG Quanfeng; Takeo Masahiro; LIN Min; CHEN Ming; XU Yuquan; ZHANG Wei; PING Shuzhen; LU Wei; SONG Xianlong; WANG Weiwei; GENG Lizhao

    2005-01-01

    A convenient and widely applicable method has been developed to clone aniline metabolic gene cluster in this study. Three positive recombinant plasmids pDA1, pDB2 and pDB11 were cloned from genomic library of aniline degradation strain AD9. The result of aniline dioxygenase (AD) activity and catechol 2,3-oxygenase (C23O) activity assay showed that pDA1 and pDB11 contain aniline dioxygenase genes and catechol 2,3-dioxygenase genes, respectively. The sequence analysis of the total 24.7-kb region revealed that this region contains 25 ORFs, of which 17 genes involve metabolism of aniline. In the gene cluster, the first five genes (tadQTA1A2B) and the subsequent gene (tadR1) were predicted to encode a multi-component aniline dioxygenase and a LysR-type regulator, respectively, while the others (tadD1C1D2C2EFGIJKL) were expected to encode meta- cleavage pathway enzymes for catechol degradation. The gene cluster was surrounded by two IS1071 sequences.

  10. Photocatalytic Degradation of Aniline Using TiO2 Nanoparticles in a Vertical Circulating Photocatalytic Reactor

    Directory of Open Access Journals (Sweden)

    F. Shahrezaei

    2012-01-01

    Full Text Available Photocatalytic degradation of aniline in the presence of titanium dioxide (TiO2 and ultraviolet (UV illumination was performed in a vertical circulating photocatalytic reactor. The effects of catalyst concentration (0–80 mg/L, initial pH (2–12, temperature (293–323 K, and irradiation time (0–120 min on aniline photodegradation were investigated in order to obtain the optimum operational conditions. The results reveal that the aniline degradation efficiency can be effectively improved by increasing pH from 2 to 12 and temperature from 313 to 323 K. Besides, the effect of temperature on aniline photo degradation was found to be unremarkable in the range of 293–313 K. The optimum catalyst concentration was about 60 mg/L. The Langmuir Hinshelwood kinetic model could successfully elucidate the effects of the catalyst concentration, pH, and temperature on the rate of heterogeneous photooxidation of aniline. The data obtained by applying the Langmuir Hinshelwood treatment are consistent with the available kinetic parameters. The activated energy for the photocatalytic degradation of aniline is 20.337 kj/mol. The possibility of the reactor use in the treatment of a real petroleum refinery wastewater was also investigated. The results of the experiments indicated that it can therefore be potentially applied for the treatment of wastewater contaminated by different organic pollutants.

  11. Binary Mixtures of Nonyl Phenol with Alkyl Substituted Anilines as Corrosion Inhibitors for Mild Steel in Acidic Medium

    Directory of Open Access Journals (Sweden)

    H. S. Shukla

    2012-01-01

    Full Text Available The present study deals with the evaluation of the corrosion inhibition effectiveness of the two binary mixtures of nonyl phenol (NPH with 2, 4 dimethyl aniline (DMA and 2 ethyl aniline (EA at different concentration ratios (from 1:7 to 7:1 for mild steel in H2SO4 (pH=1 solution by weight loss and potentiodynamic polarization method. Corrosion inhibition ability of the compounds has been tested at different exposure periods (6 h to 24 h and at different temperatures (303 K to 333 K. The binary mixture of NPH and EA (at 7:1 concentration ratio has afforded maximum inhibition (IE% 93.5% at 6 h exposure period and at room temperature. The adsorption of both the inhibitors is found to accord with Temkin adsorption isotherm. Potentiodynamic polarization study reveals that the tested inhibitors are mixed type inhibitor and preferentially act on cathodic areas. Electrochemical impedance study suggests formation of an inhibition layer by the adsorption of the inhibitors on the metal surface. An adsorption model of the inhibitor molecules on the metal surface has been proposed after immersion test in the inhibited acid showed characteristic shift of N-H and O-H bond frequencies towards lower side compared to that of the respective pure samples which indicated the donation of electron pair through N and O atom of the inhibitor molecule in the surface adsorption phenomena. SEM study has revealed formation of semi globular inhibitor products on the metal surface. The comparisons of the protection efficiencies of these compounds according to their relative electron density on the adsorption centre and projected molecular area of the inhibitor molecules have been made.

  12. Structure and spectroscopic properties of N,S-coordinating 2-methylsulfanyl-N-[(1H-pyrrol-2-ylmethylidene]aniline methanol monosolvate

    Directory of Open Access Journals (Sweden)

    D. Douglas Richards

    2015-10-01

    Full Text Available The reaction of pyrrole-2-carboxaldehyde and 2-(methylsulfanylaniline in refluxing methanol gave an olive-green residue in which yellow crystals of the title compound, C12H12N2S·CH3OH, were grown from slow evaporation of methanol at 263 K. In the crystal, hydrogen-bonding interactions link the aniline molecule and a nearby methanol solvent molecule. These units are linked by a pair of weak C—H...Omethanol interactions, forming inversion dimers consisting of two main molecules and two solvent molecules.

  13. Phenyl-ring rotational disorder in the two-dimensional hydrogen-bonded structure of the 1:1 proton-transfer salt of the diazo-dye precursor 4-(phenyldiazenyl)aniline (aniline yellow) with L-tartaric acid.

    Science.gov (United States)

    Smith, Graham; Wermuth, Urs D; Young, David J

    2010-07-01

    In the structure of the 1:1 proton-transfer compound from the reaction of L-tartaric acid with the azo-dye precursor aniline yellow [4-(phenyldiazenyl)aniline], namely 4-(phenyldiazenyl)anilinium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate, C(12)H(12)N(3)(+) x C(4)H(5)O(6)(-), the asymmetric unit contains two independent 4-(phenyldiazenyl)anilinium cations and two hydrogen L-tartrate anions. The structure is unusual in that all four phenyl rings of the two cations have identical rotational disorder with equal occupancy of the conformations. The two hydrogen L-tartrate anions form independent but similar chains through head-to-tail carboxyl-carboxylate O-H...O hydrogen bonds [graph set C(7)], which are then extended into a two-dimensional hydrogen-bonded sheet structure through hydroxy O-H...O hydrogen-bonded links. The anilinium groups of the 4-(phenyldiazenyl)anilinium cations are incorporated into the sheets and also provide internal hydrogen-bonded extensions, while their aromatic tails are layered in the structure without significant association except for weak pi-pi interactions [minimum ring centroid separation = 3.844 (3) A]. The hydrogen L-tartrate residues of both anions exhibit the common short intramolecular hydroxy-carboxylate O-H...O hydrogen bonds. This work provides a solution to the unusual disorder problem inherent in the structure of this salt, as well as giving another example of the utility of the hydrogen tartrate anion in the generation of sheet substructures in molecular assembly processes.

  14. Aqueous adsorption of aniline, phenol, and their substitutes by multi-walled carbon nanotubes.

    Science.gov (United States)

    Yang, Kun; Wu, Wenhao; Jing, Qingfeng; Zhu, Lizhong

    2008-11-01

    Aqueous adsorption of a series of phenols and anilines by a multiwalled carbon nanotube material (MWCNT15), which depends strongly on the solution pH and the number and types of solute groups, was investigated in this study. The pH-dependent adsorption coefficients, Kd, could be predicted by the established models including solute pKa and solution pH values. Phenol or aniline substitution with more groups has higher adsorption affinity, and nitro, chloride, or methyl groups enhanced adsorption in the following order: nitro group > chloride group > methyl group. All adsorption isotherms of nondissociated phenols and anilines are nonlinear and fitted well bythe Polanyi-theory based Dubinin-Ashtakhov (DA) model. Linear quantitative relationships combining DA model parameters (E and b) with solute solvatochromic parameters were developed to evaluate the adsorptive behaviors of nondissociated species. For the saturated sorbed capacity, Q0, the logarithmic values of phenols and anilines were relatively constant with a mean value of 1.90. Besides the van der Waals force, H-bonding interactions from solutes as hydrogen-bonding donors, and followed by pi-electron polarizability, may play important roles on the adsorption of phenols and anilines by carbon nanotubes in the aqueous environment

  15. Catalytic wet air oxidation of aniline with nanocasted Mn-Ce-oxide catalyst.

    Science.gov (United States)

    Levi, R; Milman, M; Landau, M V; Brenner, A; Herskowitz, M

    2008-07-15

    The catalytic wet air oxidation of aqueous solution containing 1000 ppm aniline was conducted in a trickle-bed reactor packed with a novel nanocasted Mn-Ce-oxide catalyst (surface area of 300 m2/g) prepared using SBA-15 silica as a hard template. A range of liquid hourly space velocities (5-20 h(-1)) and temperatures (110-140 degrees C) at 10 bar of oxygen were tested. The experiments were conducted to provide the intrinsic performance of the catalysts. Complete aniline conversion, 90% TOC conversion, and 80% nitrogen mineralization were achieved at 140 degrees C and 5 h(-1). Blank experiments yielded relatively low homogeneous aniline (<35%) and negligible TOC conversions. Fast deactivation of the catalysts was experienced due to leaching caused by complexation with aniline. Acidification of the solution with HCI (molar HCI to aniline ratio of 1.2) was necessary to avoid colloidization and leaching of the nanoparticulate catalyst components. The catalyst displayed stable performance for over 200 h on stream.

  16. Adduct of magnesium tetraphenylporphyrin with aniline for colorimetric detection of SO2

    Institute of Scientific and Technical Information of China (English)

    Li Hua Liu; Wen Bin Li; Fei Gao; Tian Rui Huo

    2012-01-01

    Adduct of magnesium tetraphenylporphyrin (MgTPP) with aniline for colorimetric detection of SO2.was investigated in CH2Cl2 by steady-state fluorescence and UV-vis absorption spectroscopic techniques.The UV-vis spectra showed that the increasing aniline concentrations resulted in red shift of 3 nm for MgTPP Soret absorption band.Once introduced,SO2 competes with MgTPP for aniline,which eventually leads to the release of MgTPP and changes in the solution color/absorption.The fluorescence spectra suggested that MgTPP interacted with aniline to form 1∶1 molecular adducts,and showed that the binding of MgTPP with aniline with the binding constants of 1.58-1.64 is not only endothermal but entropy-driven with △H=1.622 kJ mol -1,△S=9.389 J mol-1 K -1,and △G=-1.585 kJ mol -1 at T=298.15 K.

  17. Specifically Grafting Hematin on MPTS-Coated Carbon Nanotubes for Catalyzing the Oxidation of Aniline

    Directory of Open Access Journals (Sweden)

    Kunkun Zheng

    2016-08-01

    Full Text Available Catalysts supported on nanomaterials have been widely investigated for the treatment of hazardous materials. This work has developed a novel method for grafting hematin on nanomaterials for catalyzing the oxidation of aniline in order to remove aniline from wastewater. Magnetic multi-walled carbon nanotubes (M-MWCNTs were coated with a layer formed through the hydrolysis and condensation of 3-mercaptopropyltriethoxysilane (MPTS. Hematin was specifically grafted on the MPTS-coated M-MWCNTs through thiol-alkene reaction. Hematin-MPTS-M-MWCNTs were used to catalyze the oxidation of aniline, and a high efficiency has been obtained. Consecutive use of the conjugate of hematin-MPTS-M-MWCNTs has been investigated, and the activity has been retained to a significant extent after five reaction/cleaning cycles. The result demonstrates that hematin-MPTS-M-MWCNTs are efficient for catalyzing the oxidation of aniline. The methodology for the specific grafting of hematin is of general utility, it is an easy-to-operate method and can be extended to other supports. Potentially, hematin-MPTS-based conjugates have a widespread application in catalyzing the removal of aniline from wastewater.

  18. Removal of Aniline from Wastewater Using Hollow Fiber Renewal Liquid Membrane☆

    Institute of Scientific and Technical Information of China (English)

    Zhongqi Ren; Xinyan Zhu; Wei Liu; Wei Sun; Weidong Zhang; Junteng Liu

    2014-01-01

    Hol ow fiber renewal liquid membrane (HFRLM) method was proposed based on the surface renewal theory for re-moval of aniline from waste water. The system of aniline+D2EHPA in kerosene+HCl was used. Aqueous layer diffusion in the feed phase is the rate-control step, and the influence of lumen side flow rate on the mass transfer is more significant than that on the shel side. The resistance of overal mass transfer is greatly reduced because of the mass transfer intensification in the renewal of liquid membrane on the lumen side. The driving force of mass transfer can be considered as a function of distribution equilibrium, and the overall mass transfer coefficient in-creases with the increase of pH in the feed solution, HCl concentration and D2EHPA concentration, and decreases with the increase of initial aniline concentration. A mass transfer model is developed for HFRLM based on the surface renewal theory. The calculated results agree wel with experimental results. The HFRLM process is a promising method for aniline wastewater treatment.

  19. Determination of aniline in environmental water samples by alternating-current oscillopolarographic titration

    Institute of Scientific and Technical Information of China (English)

    Jun Ping Xiao; Qing Xiang Zhou; Xiao Ke Tian; Hua Hua Bai; Xian Fa Su

    2007-01-01

    A new method for the determination of aniline in environmental water based on oscillopolarographic titration was presented in this paper.Several factors including the kind, concentration, and volume of acid, the dosage of potassium bromide, the temperature and concentration of concomitant substances were investigated in detail.The experimental results indicated that this method was simple, rapid, and sensitive.The linear range was 8.367 x 10-4 to 2.789 x 10-2 mol L-1, the relative standard deviation (R.S.D.) was lower than 0.96%, and the spiked recoveries of aniline in environmental water samples were in the range of 99.4-106.9% under the optimal conditions.The results indicated that the present method could be used as an alternative method for aniline determination in realworld water samples.

  20. Effect of substitution on aniline in inducing growth of anionic micelles

    Indian Academy of Sciences (India)

    Gunjan Garg; V K Aswal; S K Kulshreshtha; P A Hassan

    2004-08-01

    Small-angle neutron scattering (SANS) measurements were carried out on sodium dodecyl sulfate (SDS) micelles in the presence of three different hydrophobic salts, i.e. aniline hydrochloride, -toluidine hydrochloride and -toluidine hydrochloride. All these salts induce a uniaxial growth of micelles to form prolate ellipsoidal structures. A progressive decrease in the surface charge of the micelles was observed with the addition of salts followed by a rapid growth of the micelles. The presence of a methyl substitution at the ortho position of aniline does not alter the growth behavior significantly. However, when the substitution is at meta position micellar growth is favored at lower salt concentration than that is observed for aniline. This can be explained in terms of the difference in the chemical environments of the substituents at the ortho and meta positions.

  1. Rapid degradation of aniline in aqueous solution by ozone in the presence of zero-valent zinc.

    Science.gov (United States)

    Zhang, Jing; Wu, Yao; Qin, Chao; Liu, Liping; Lan, Yeqing

    2015-12-01

    The effects of Zn(0) dosage from 0.1 to 1.3gL(-1), pH from 2 to 12 and temperature from 288 to 318K on the degradation of aniline in aqueous solution by ozone in the presence of Zn(0) were investigated through batch experiments. The results demonstrated that Zn(0) had a significantly synergistic role in the degradation of aniline by ozone. A complete decomposition of the initial aniline (10mgL(-1)) was achieved by ozone together with Zn(0) within 25min, and meanwhile nearly 70% of the total organic carbon in the solution was removed. The decomposition efficiency of aniline markedly increased with an increase of Zn(0) dosage. However, temperature exerted a slight impact on the degradation of aniline and the optimum removal efficiency of aniline was realized at 298K. Aniline was efficiently degraded at all the tested pHs except for 12. Free radicals were investigated by electron paramagnetic resonance technique and free radical scavengers. H2O2 concentration generated during the reactions was analyzed using a photometric method. Based on the results obtained in this study, it is proposed that O2(-) instead of OH is the dominant active species responsible for the degradation of aniline. It is concluded that ozone combined with Zn(0) is an effective and promising approach to the degradation of organic pollutants.

  2. Evaluation on joint toxicity of chlorinated anilines and cadmium to Photobacterium phosphoreum and QSAR analysis

    Energy Technology Data Exchange (ETDEWEB)

    Jin, Hao, E-mail: realking163@163.com [School of Life and Chemistry, Jiangsu Second Normal University, Nanjing, Jiangsu 210013 (China); Wang, Chao; Shi, Jiaqi [State Key Laboratory of Pollution Control and Resources Reuse, School of Environment, Nanjing University, Nanjing, Jiangsu 210023 (China); Chen, Lei [School of Life and Chemistry, Jiangsu Second Normal University, Nanjing, Jiangsu 210013 (China)

    2014-08-30

    Highlights: • Cd has different effects on joint toxicity when in different concentrations. • The toxicity of most binary mixtures decreases when Cd concentration rises. • Different QSAR models are developed to predict the joint toxicity. • Descriptors in QSARs can help to elucidate the joint toxicity mechanism. • Van der Waals’ force or complexation may reduce the toxicity of mixtures. - Abstract: The individual IC{sub 50} (the concentrations causing a 50% inhibition of bioluminescence after 15 min exposure) of cadmium ion (Cd) and nine chlorinated anilines to Photobacterium phosphoreum (P. phosphoreum) were determined. In order to evaluate the combined effects of the nine chlorinated anilines and Cd, the toxicities of chlorinated anilines combined with different concentrations of Cd were determined, respectively. The results showed that the number of chlorinated anilines manifesting synergy with Cd decreased with the increasing Cd concentration, and the number manifesting antagonism decreased firstly and then increased. The joint toxicity of mixtures at low Cd concentration was weaker than that of most binary mixtures when combined with Cd at medium and high concentrations as indicated by TU{sub Total}. QSAR analysis showed that the single toxicity of chlorinated anilines was related to the energy of the lowest unoccupied molecular orbital (E{sub LUMO}). When combined with different concentrations of Cd, the toxicity was related to the energy difference (E{sub HOMO} − E{sub LUMO}) with different coefficients. Van der Waals’ force or the complexation between chlorinated anilines and Cd had an impact on the toxicity of combined systems, which could account for QSAR models with different physico-chemical descriptors.

  3. Dispersion of Pt Nanoparticle-Doped Reduced Graphene Oxide Using Aniline as a Stabilizer

    Directory of Open Access Journals (Sweden)

    Hyoung-Joon Jin

    2012-12-01

    Full Text Available In this study, a simple one-step method was developed to load small-sized Pt nanoparticles (3.1 ± 0.3 nm in large quantities (50 wt % on aniline-functionalized and reduced graphene oxide (r-fGO. In the process, an ethylene glycol solution and aniline-functionalized moiety play the roles of reducing agent and stabilizer for the Pt nanoparticles, respectively, without damaging the graphite structures of the r-fGO. The Pt nanoparticles loading on the surface of r-fGO with uniform dispersion have a great effect on the electrical conductivity.

  4. Controlled aniline polymerization strategies for polyaniline micro- and nano self-assembling into practical electronic devices.

    Science.gov (United States)

    Yunus, Sami; Attout, Anne; Bertrand, Patrick

    2009-02-03

    Electroless polymerization of aniline on platinum is investigated for polyaniline micro- and nanostructuring into practical electronic devices. This type of reaction is adapted to estimate its usefulness in a lithographic process. For practical electronic device fabrication, electroless polymerization of aniline can be used to electrically bridge initially independent platinum electrodes. As this application requires a polyaniline bridge to form over a nonconductive material before an electrical contact is obtained, polyaniline growth using chemical oxidative reaction is investigated on substrates presenting surface-tension contrast patterns.

  5. Facile synthesis of gold nanoplates by thermally reducing AuCl4ˉwith aniline

    Institute of Scientific and Technical Information of China (English)

    Kang Xu; Zhi Rui Guo; Ning Gu

    2009-01-01

    We herein report a one-step,wet-chemical approach to synthesizing gold nanoplates in large quantities via the AuCl4-thermal reduction process by aniline,without introducing additional capping agent or surfactant.It is found that the reduction kinetics of AuCl4-is greatly altered by varying the initial molar ratio of aniline to AuCl4-.Moreover,further investigation reveals that the in-situ formed polyaniline could serve effectively as a capping agent to preferably adsorb the { 111 } facets of gold crystals during a slow reduction process,directing the formation of gold nanoplates.

  6. Regioselective chlorination and bromination of unprotected anilines under mild conditions using copper halides in ionic liquids

    Directory of Open Access Journals (Sweden)

    Han Wang

    2012-05-01

    Full Text Available By using ionic liquids as solvents, the chlorination or bromination of unprotected anilines at the para-position can be achieved in high yields with copper halides under mild conditions, without the need for potentially hazardous operations such as supplementing oxygen or gaseous HCl.

  7. Effect of aniline on cadmium adsorption by sulfanilic acid-grafted magnetic graphene oxide sheets.

    Science.gov (United States)

    Hu, Xin-jiang; Liu, Yun-guo; Zeng, Guang-ming; Wang, Hui; Hu, Xi; Chen, An-wei; Wang, Ya-qin; Guo, Yi-Mming; Li, Ting-ting; Zhou, Lu; Liu, Shao-heng; Zeng, Xiao-xia

    2014-07-15

    Cd(II) has posed severe health risks worldwide. To remove this contaminant from aqueous solution, the sulfanilic acid-grafted magnetic graphene oxide sheets (MGOs/SA) were prepared and characterized. The mutual effects of Cd(II) and aniline adsorption on MGOs/SA were studied. The effects of operating parameters such as pH, ionic strength, contact time and temperature on the Cd(II) enrichment, as well as the adsorption kinetics and isotherm were also investigated. The results demonstrated that MGOs/SA could effectively remove Cd(II) and aniline from the aqueous solution and the two adsorption processes were strongly dependent on solution pH. The Cd(II) adsorption was reduced by the presence of aniline at pH5.4. The presence of Cd(II) diminished the adsorption capacity for aniline at pH7.8. The decontamination of Cd(II) by MGOs/SA was influenced by ionic strength. Besides, the adsorption process could be well described by pseudo-second-order kinetic model. The intraparticle diffusion study revealed that the intraparticle diffusion was not the only rate-limiting step for the adsorption process. Moreover, the experimental data of isotherm followed the Freundlich isotherm model.

  8. Aromatic fluorine compounds. VIII. Plant growth regulators and intermediates

    Science.gov (United States)

    Finger, G.C.; Gortatowski, M.J.; Shiley, R.H.; White, R.H.

    1959-01-01

    The preparation and properties of 41 fluorophenoxyacetic acids, 4 fluorophenoxypropionic acids, 2 fluorobenzoic acids, several indole derivatives, and a number of miscellaneous compounds are described. Data are given for many intermediates such as new fluorinated phenols, anisoles, anilines and nitrobenzenes. Most of the subject compounds are related to a number of well-known herbicides or plant growth regulators such as 2,4-D, 2,4,5-T and others.

  9. Synthesis and characterization of poly iodine anilines by plasma; Sintesis y caracterizacion de poliyodoanilinas por plasma

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez P, M.A

    2003-07-01

    The polymers and organic materials present a numberless quantity of applications. However, it has not been but until recent times that it has been found that some of these materials can possess semiconductor properties. This has generated a great interest for the investigation in the area of semiconductor polymers. The poly aniline (Pan) it is one of the main semiconductor polymers because their electric properties change depending on the doping and of the state of oxidation to the one the molecules are subjected. The synthesis of this material has been carried out by means of chemical oxidation or electrochemistry. In this work a study is presented on the formation of poly aniline polymers with halogens chemically united to the aniline ring, poly(m-iodine aniline) (m-PAnI) and poly(m-chloroaniline) (m-PAnCI) for plasma. The plasma is generated by means of discharges of splendor with an r f amplifier to 13.5 MHz to drops pressures (10{sup -2} mbar). The synthesized polymers were obtained in form of thin film in the walls of the reactor and in the substrate introduced in the one. The electric properties of the polymers were evaluated in function of the time of reaction. Also, the conductivity of the polymers was compared synthesized in this work with reported data of synthesized poly aniline and doped with iodine for plasma. The highest values in conductivity are obtained in the poly aniline where the halogens are chemically connected to the ring that if it is doped with iodine. The atomic proportion in the surface of the polymers was analyzed by dispersive energy spectroscopy with which is deduced that the halogens come off of the molecules of the monomers or of the polymer in formation and that the atoms of iodine get lost more easily than those of chlorine. Other techniques that were used to characterize to the poly aniline were scanning electron microscopy, infrared spectroscopy, thermal gravimetric analysis and X-ray diffraction. The results are presented in

  10. Estimation of thermodynamic and Beyer's parameter ( B / A ) in liquid crystalline 5. m , 5O. m , 5.O m , 5O.O m compounds with m =5 and 16

    Science.gov (United States)

    Madhavi Latha, D.; Pisipati, V. G. K. M.; Ramakrishna Nanchara Rao, M.; Datta Prasad, P. V.

    2011-10-01

    The thermodynamic parameters such as Sharma parameter ( So), Huggins parameter ( F), reduced volume ( V˜), reduced compressibility ( V), etc. are studied using the volume expansion coefficient ( α), which is estimated from density for N-( p- n-pentyl benzylidene)- p- n-pentyl aniline (5.5), N-( p-n-pentyloxy benzylidene)- p-n-pentyl aniline (5O.5), N-( p-n-pentyl benzylidene)- p- n-pentyloxy aniline (5.O5), N-( p- n-pentyloxy benzylidene)- p- n-pentyloxy aniline (5O.O5), N-( p- n-pentyl benzylidene)- p- n-hexadecyl aniline (5.16), N-( p- n-pentyloxy benzylidene)- p- n-hexadecyl aniline (5O.16), N-( p- n-pentyl benzylidene)- p- n-hexadecyloxy aniline (5.O16) and N-( p- n-pentyloxy benzylidene)- p- n-hexadecyloxy aniline (5O.O16) compounds in isotropic and liquid crystalline phases. The parameters like intermolecular free length ( Lf), molecular radius ( mr) and Beyer's non-linearity parameter ( B/ A) are also computed from density data for the above compounds. The results are discussed in the light of these parameters variation with temperature in a particular phase in a liquid crystal molecule and with the position of oxygen atom. The thermodynamic parameter So exhibits a constant characteristic value 1.11±0.01 in all the compounds like other reported liquid crystalline compounds, liquids and polymers. The variation of other thermodynamic parameters in LC phases of these compounds with temperature is discussed in the light of the body of the data available.

  11. Effect of chelating agent on oxidation rate of aniline in ferrous ion activated persulfate system at neutral pH

    Institute of Scientific and Technical Information of China (English)

    张永清; 谢晓芳; 黄少斌; 梁海云

    2014-01-01

    In the interest of accelerating aniline degradation, Fe2+and chelated Fe2+activated persulfate oxidations were investigated in neutral pH condition. Three kinds of chelating agents were selected including citric acid, oxalic acid and ethylenediamine tetraaceatate (EDTA) to maintain available Fe2+. The results indicate that the concentration of chelating agent and ferrous ion didn’t follow a linear relationship with the degradation rate of aniline. A 1/1 ratio of chelating agent/Fe2+results in a higher degradation rate compared to the results by other ratios. The oxidation enhancement factor using oxalic acid was found to be relatively low. In contrast, citric acid is more suitable chelating agent in the ferrous iron activated persulfate system and aniline exhibits a highest degradation with a persulfate/Fe2+/citric acid/aniline molar ratio of 50/25/25/1 compared to other molar ratios.

  12. Study on Electrochemical Copolymerization of Aniline and 3-Methylthiophene in HMIMBF4 Ionic Liquid and Its Properties

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ai-Jian; ZHANG Gui-Rong; YANG Guang-Da; AO Feng-Guo; LU Jia-Xing

    2007-01-01

    Electrochemical polymerization of aniline and 3-methylthiophene has been accomplished in 1-methylimidazium tetrafluoroborate (HMIMBF4) ionic liquid. Homopolymer and copolymers of aniline and 3-methylthiophene were obtained successfully. The copolymer was studied by cyclic voltammetry and electrochemical impedance spectroscopy. The formation of copolymer has been confirmed by FT-IR and UV spectra. The atomic force microscope (AFM) was used for microstructural analysis. Both the homopolymer and the copolymer had the catalytic activity for the hydroquinone.

  13. Experimental and QSPR Studies on n-Octanol/water Partition Coefficient(lgKow) of Substituted Aniline

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The n-octanol/water partition coefficients (lgKow) of 18 substituted anilines were determined at 25 ℃ by shake-flask method. The geometrical optimization of substituted anilines has been performed at B3LYP/6-311G** level with Gaussian98 program, and the molecular surface areas of substituted anilines were calculated using ChemOffice 2004 program. The calculated structural parameters of substituted anilines were used as theoretical descriptors and the two-parameter (molecular surface area (MA) and the energy of the highest occupied molecular orbital (EHOMO)) quantitative structure-property relationship (QSPR) model of lgKow for substituted aniline with molecular structural parameters was developed by multi-linear regression method. The regression coefficient square (r2) is 0.990 and the standard deviation SE 0.109. The model was validated by variance inflation factors (VIF) and t-test, and the results show that there exists small self-correlation between variables of the model with perfect stability. The model gives results in good qualitative agreement with experimental data. At last, the model was applied to predict lgKow values of five substituted anilines whose lgKow values have not been determined experimentally.

  14. Characterization of Aniline Tetramer by MALDI TOF Mass Spectrometry upon Oxidative and Reductive Cycling

    Directory of Open Access Journals (Sweden)

    Rebecca L. Li

    2016-11-01

    Full Text Available By combining electrochemical experiments with mass spectrometric analysis, it is found that using short chain oligomers to improve the cycling stability of conducting polymers in supercapacitors is still problematic. Cycling tests via cyclic voltammetry over a potential window of 0 to 1.0 V or 0 to 1.2 V in a two-electrode device configuration resulted in solid-state electropolymerization and chain scission. Electropolymerization of the aniline tetramer to generate long chain oligomers is shown to be possible despite the suggested decrease in reactivity and increase in intermediate stability with longer oligomers. Because aniline oligomers are more stable towards reductive cycling when compared to oxidative cycling, future conducting polymer/oligomer-based pseudocapacitors should consider using an asymmetric electrode configuration.

  15. INHIBITION OF CORROSION OF ZINC IN (HNO3 + HCl ACID MIXTURE BY ANILINE

    Directory of Open Access Journals (Sweden)

    R.T. Vashi

    2015-05-01

    Full Text Available Corrosion of Zinc metal in (HNO3 + HCl binary acid mixture and inhibition efficiency of aniline has been studied by weight loss method and polarization technique. Corrosion rate increases with the concentration of acid mixture and the temperature. Inhibition efficiency (I.E. of aniline increases with the concentration of inhibitor while decreases with the increase in concentration of acid. As temperature increases corrosion rate increases while percentage of I.E. decreases. A plot of log (θ/1-θ versus log C results in a straight line suggest that the inhibitor cover both the anodic and cathodic regions through general adsorption following Longmuir isotherm. Galvenostatic polarization curves show polarization of both anodes as well as cathodes.

  16. Poly(aniline-co--aminobenzoic acid) deposited on poly(vinyl alcohol): Synthesis and characterization

    Indian Academy of Sciences (India)

    S Adhikari; P Banerji

    2013-08-01

    In this work, we have deposited poly(aniline-co--aminobenzoic acid) on poly(vinyl alcohol) (PVA) by in situ polymerization. The polymerization was effected within maleic acid (MA) cross-linked PVA hydrogel. The copolymer was obtained by oxidative polymerization of aniline hydrochloride and -aminobenzoic acid using ammonium persulfate as an oxidant. Instead of conventional solution polymerization, here synthesis was carried out on APS soaked MA cross-linked PVA (MA–PVA) film where the polymer was in situ deposited in its conducting form. The composite film was characterized by Fourier transform infra red (FT–IR) and ultraviolet visible (UV–VIS) spectroscopy and electrical measurements. Surface morphology of the composite films was studied by field emission scanning electron microscopy (FESEM). The variation of conductivity of the films was studied.

  17. Synthesis and photochromic properties of thiolated N-salicylidene-anilines on silver nanoparticles

    Science.gov (United States)

    Mahmoodi, Nosrat O.; Aghajani, Nafiseh; Ghavidast, Atefeh

    2017-01-01

    Here, we synthesized the salicylidene-aniline (anil) photochromes with thiol group (thiolated Schiff base) to modify silver nanoparticles (AgNPs) surface and their photochromic properties were described. A photochromic response related to the light induced tautomerization of the anils functionality along with bathochromic shift in the absorption band is observed in AgNPs surfaces. We have also examined that enol→keto photoisomerization rate by UV light for functionalized AgNPs are clearly faster than free anils.

  18. Study on Molecular Recognition of Crown Ethers to Aniline and Monosaccharides

    Institute of Scientific and Technical Information of China (English)

    QI Li-Ya; TENG Qi-Wen; WU Shi; LIU Zheng-Zheng

    2005-01-01

    Theoretical study on coordinates between crown ethers and aniline as well as monosaccharides is performed by AM1, MNDO and PM3 methods.It is indicated that crown ethers possess ability to recognize polar guests especially ionic guests and monosaccharides.Electronic spectra of coordinates are computed by the INDO/SCI method.The reason of the blue-shift for UV absorption of complexes relative to that of hosts is discussed and electronic transition is theoretic- cally assigned.

  19. Crystal structure of diethylammonium aniline-4-sulfonate anilinium-4-sulfonate

    Directory of Open Access Journals (Sweden)

    Assane Toure

    2016-12-01

    Full Text Available The title compound, C4H12N+·C6H6NO3S−·C6H7NO3S, consists of an ion pair and a zwitterionic neutral molecule. The cation adopts an extended conformation [C—C—N—C torsion angles = 177.1 (3 and −178.4 (3°]. In the crystal, the components are linked by N—H...O and N—H...N hydrogen bonds, generating a three-dimensional network, which is consolidated by weak C—H...O interactions.

  20. Photocatalytic Oxidation of Aniline in the Gas Phase Using Porous TiO2 Thin Films

    Institute of Scientific and Technical Information of China (English)

    Fa Wenjun; Li Ying; Gong Chuqing; Zhong Jiacheng

    2006-01-01

    The gas-phase photocatalytic oxidation of aniline on a new kind of porous nano-TiO2 composite films is investigated.The composite film was prepared on glass fiber with the water glass as binders and dilute H2SO4 solution as solidifying reagent.The surface characters were observed by scanning electron microscope.The photocatalytic degradation of aniline on the composite films was carried out in a TiO2AJV system.Some important factors affecting the photodegmdation,such as the concentration of TiO2,the initial concentration of aniline,and the existing water vapor,are also studied.The product ofphotocatalytic oxidation was detected by Fourier transform-Infrared.The partial intermediate products were absorbed on TiO2 surface,which resulted in catalyst deactivation.But when it was irradiated under UV illumination or solar irradiation for some time,the catalyst could be reused without loss of catalytic activity.

  1. Hexavalent chromium removal from wastewater using aniline formaldehyde condensate coated silica gel.

    Science.gov (United States)

    Kumar, P Albino; Ray, Manabendra; Chakraborty, Saswati

    2007-05-08

    A resinous polymer, aniline formaldehyde condensate (AFC) coated on silica gel was used as an adsorbent in batch system for removal of hexavalent chromium from aqueous solution by considering the effects of various parameters like reaction pH, dose of AFC coated silica gel, initial Cr(VI) concentration and aniline to formaldehyde ratio in AFC synthesis. The optimum pH for total chromium [Cr(VI) and Cr(III)] adsorption was observed as 3. Total chromium adsorption was second order and equilibrium was achieved within 90-120 min. Aniline to formaldehyde ratio of 1.6:1 during AFC synthesis was ideal for chromium removal. Total chromium adsorption followed Freundlich's isotherm with adsorption capacity of 65 mg/g at initial Cr(VI) 200mg/L. Total chromium removal was explained as combinations of electrostatic attraction of acid chromate ion by protonated AFC, reduction of Cr(VI) to Cr(III) and bond formation of Cr(III) with nitrogen atom of AFC. Almost 40-84% of adsorbed chromium was recovered during desorption by NaOH, EDTA and mineral acids. AFC coated silica gel can be effectively used for treatment of chromium containing wastewaters as an alternative.

  2. Preparation of symmetric and asymmetric aromatic azo compounds from aromatic amines or nitro compounds using supported gold catalysts.

    Science.gov (United States)

    Grirrane, Abdessamad; Corma, Avelino; Garcia, Hermenegildo

    2010-03-01

    This protocol describes the aerobic oxidation of aromatic anilines to aromatic azo compounds using gold (Au) nanoparticles supported on TiO(2) as a catalyst. Yields above 98% are achieved under a few bars of oxygen pressure. It should be noted that the use of stoichiometric amounts of environmentally unfriendly reagents, e.g., transition metals and nitrites, commonly used in current syntheses of azo compounds, is avoided using this approach. The protocol is illustrated with the synthesis of parent azobenzene from aniline, and this reaction takes 22 h. Au on TiO(2) can also be used as a hydrogenation catalyst, making it possible to prepare azo compounds directly from nitroaromatics through a two-step (hydrogenation followed by aerobic oxidation), one-pot, one-catalyst reaction. In addition, the catalytic process is efficient for the synthesis of symmetric and a range of asymmetric aromatic azo compounds from the mixtures of two anilines substituted with electron-donor and electron-acceptor substituents.

  3. Adsorption characteristics of graphene oxide as a solid adsorbent for aniline removal from aqueous solutions: Kinetics, thermodynamics and mechanism studies

    Directory of Open Access Journals (Sweden)

    Ali Fakhri

    2017-01-01

    Full Text Available The aim of this study is to investigate the possibility of graphene oxide (GO as an alternative adsorbent for aniline removal from aqueous solution. Adsorption properties of GO for aniline removal were regularly investigated, including pH effect, adsorbent dose, temperature, contact time and initial concentration. The adsorption amount of aniline decreased with increasing pH. The experimental data were evaluated by Langmuir, Freundlich, Temkin and Harkins–Jura models in order to describe the equilibrium isotherms. Equilibrium data fitted well to the Langmuir model. The kinetic parameters achieved at different concentrations were analyzed using a pseudo first-order, pseudo second-order kinetic equation and intra-particle diffusion model. The experimental data fitted very well the pseudo second-order kinetic model. Thermodynamic parameters (free energy change, enthalpy change, and entropy change announced that the removal of aniline from GO was endothermic and spontaneous. The study showed that GO could be used as an efficient adsorbent material for the adsorption of aniline from aqueous solution.

  4. Comparative study of structural and optical properties of pulsed and RF plasma polymerized aniline films

    Energy Technology Data Exchange (ETDEWEB)

    Barman, Tapan; Pal, Arup R., E-mail: arpal@iasst.gov.in; Chutia, Joyanti

    2014-09-15

    Graphical abstract: - Highlights: • Pulse DC and RF plasma is used for synthesis of conducting polymer films. • Conjugated structure retention is better at optimum powers in both the processes. • Conjugated structure retention is better in case of RF plasma prepared films. • Band gap is lower in case of RF plasma prepared films at higher power. • Defect in pulse plasma prepared film is less than RF plasma prepared thin films. - Abstract: Plasma polymerization of aniline is carried out by means of continuous RF and pulsed DC glow discharge plasma in a common reactor at different applied powers. The discharge control variables are optimized for good quality film growth and the role of fragmentation of the molecular structure on the structural, optical, morphological and optophysical properties of the deposited plasma polymerized aniline (PPAni) layers is investigated. Retention of the conjugated structure is found to be prominent at optimum applied power to the plasma in both the continuous RF and pulsed DC polymerization techniques. Improvement in conjugated structure and chain length have been observed in both the continuous RF and pulse DC PPAni thin films with the increase in applied power to the plasma up to a certain limit of applied power when working pressure is fixed at 0.15 mbar. A decrease in optical bandgap with the increase in applied power to the plasma is observed in both the pulsed DC and RF PPAni thin films, but it is more significant in case of RF PPAni films. The plasma polymerized aniline thin films are found to emit photoluminescence due to band to band transition and defects generated in the structure.

  5. Catalytic wet peroxide oxidation of aniline in wastewater using copper modified SBA-15 as catalyst.

    Science.gov (United States)

    Kong, Liming; Zhou, Xiang; Yao, Yuan; Jian, Panming; Diao, Guowang

    2016-01-01

    SBA-15 mesoporous molecular sieves modified with copper (Cu-SBA-15) were prepared by pH-adjusting hydrothermal method and characterized by X-ray diffraction, BET, transmission electron microscopy, UV-Vis and (29)Si MAS NMR. The pH of the synthesis gel has a significant effect on the amount and the dispersion of copper on SBA-15. The Cu-SBA-15(4.5) (where 4.5 denotes the pH value of the synthesis gel) modified with highly dispersed copper was used as catalyst for the oxidation of aniline by H2O2. The Cu-SBA-15(4.5) shows a higher catalytic activity compared to CuO on the surface of SBA-15. The influences of reaction conditions, such as initial pH of the aqueous solutions, temperature, as well as the dosages of H2O2 and catalyst were investigated. Under weakly alkaline aqueous solution conditions, the aniline conversion, the H2O2 decomposition and the total organic carbon (TOC) removal could be increased significantly compared to the acid conditions. The percentage of leaching Cu(2+) could be decreased from 45.0% to 3.66% when the initial pH of solution was increased from 5 to 10. The TOC removal could be enhanced with the increases of temperature, H2O2 and catalyst dosage, but the aniline conversion and H2O2 decomposition change slightly with further increasing dosage of catalyst and H2O2. At 343 K and pH 8.0, 100% aniline conversion and 66.9% TOC removal can be achieved under the conditions of 1.0 g/L catalyst and 0.05 mol/L H2O2 after 180 min. Although copper might be slightly leached from catalyst, the homogeneous Cu(2+) contribution to the whole catalytic activity is unimportant, and the highly dispersed copper on SBA-15 plays a dominant role.

  6. Theoretical Study on the Vibrational Spectra and Thermodynamic Properties for Nitro Derivatives of Benzene and Anilines

    Institute of Scientific and Technical Information of China (English)

    WANG Gui-Xiang; GONG Xue-Dong; XIAO He-Ming

    2008-01-01

    Nitro derivatives of benzene and anilines were optimized to obtain their molecular geometries and electronic structures at a DFT-B3LYP/6-31G* level. Their IR spectra were obtained and assigned by vibrational analysis. Comparing the calculated IR spectra with these of experiments known, all the IR data obtained in this paper were considered to be reliable. Based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics, the thermodynamic properties were evaluated, which were linearly related with the number of nitro and amino groups as well as the temperature, obviously showing good group additivity.

  7. Dynamical insights into (1)pi sigma(*) state mediated photodissociation of aniline.

    Science.gov (United States)

    King, Graeme A; Oliver, Thomas A A; Ashfold, Michael N R

    2010-06-07

    This article reports a comprehensive study of the mechanisms of H atom loss in aniline (C(6)H(5)NH(2)) following ultraviolet excitation, using H (Rydberg) atom photofragment translational spectroscopy. N-H bond fission via the low lying (1)pi sigma(*) electronic state of aniline is experimentally demonstrated. The (1)pi sigma(*) potential energy surface (PES) of this prototypical aromatic amine is essentially repulsive along the N-H stretch coordinate, but possesses a shallow potential well in the vertical Franck-Condon region, supporting quasibound vibrational levels. Photoexcitation at wavelengths (lambda(phot)) in the range 293.859 nm > or = lambda(phot) > or = 193.3 nm yields H atom loss via a range of mechanisms. With lambda(phot) resonant with the 1(1)pi pi(*) resonantly enhanced at the one photon energy by the first (1)pi pi(*) excited state (the 1(1)pi pi(*) state). Direct excitation to the first few quasibound vibrational levels of the (1)pi sigma(*) state (at wavelengths in the range 269.513 nm > or = lambda(phot) > or = 260 nm) induces N-H bond fission via H atom tunneling through an exit barrier into the repulsive region of the (1)pi sigma(*) PES, forming anilino (C(6)H(5)NH) radical products in their ground electronic state, and with very limited vibrational excitation; the photo-prepared vibrational mode in the (1)pi sigma(*) state generally evolves adiabatically into the corresponding mode of the anilino radical upon dissociation. However, as the excitation wavelength is reduced (lambda(phot) conical intersection. Changes in product kinetic energy disposal once lambda(phot) approaches approximately 230 nm likely indicate that the photodissociation pathways of aniline proceed via direct excitation to the (higher) 2(1)pi pi(*) state. Analysis of the anilino fragment vibrational energy disposal-and thus the concomitant dynamics of (1)pi sigma(*) state mediated photodissociation-provides a particularly interesting study of competing sigma(*) <-- pi and

  8. Ruthenium-catalysed synthesis of 2- and 3-substituted quinolines from anilines and 1,3-diols

    DEFF Research Database (Denmark)

    Monrad, Rune Nygaard; Madsen, Robert

    2011-01-01

    A straightforward synthesis of substituted quinolines is described by cyclocondensation of anilines with 1,3-diols. The reaction proceeds in mesitylene solution with catalytic amounts of RuCl3·xH 2O, PBu3 and MgBr2·OEt2. The transformation does not require any stoichiometric additives and only...... produces water and dihydrogen as byproducts. Anilines containing methyl, methoxy and chloro substituents as well as naphthylamines were shown to participate in the heterocyclisation. In the 1,3-diol a substituent was allowed in the 1- or the 2-position giving rise to 2- and 3-substituted quinolines......, respectively. The best results were obtained with 2-alkyl substituted 1,3-diols to afford 3-alkylquinolines. The mechanism is believed to involve dehydrogenation of the 1,3-diol to the 3-hydroxyaldehyde which eliminates water to the corresponding α,β-unsaturated aldehyde. The latter then reacts with anilines...

  9. Effect of molecular structure of aniline-formaldehyde copolymers on corrosion inhibition of mild steel in hydrochloric acid solution.

    Science.gov (United States)

    Zhang, Yan; Nie, Mengyan; Wang, Xiutong; Zhu, Yukun; Shi, Fuhua; Yu, Jianqiang; Hou, Baorong

    2015-05-30

    Aniline-formaldehyde copolymers with different molecular structures have been prepared and investigated for the purpose of corrosion control of mild steel in hydrochloric acid. The copolymers were synthesized by a condensation polymerization process with different ratios of aniline to formaldehyde in acidic precursor solutions. The corrosion inhibition efficiency of as-synthesized copolymers for Q235 mild steel was investigated in 1.0 mol L(-1) hydrochloric acid solution by weight loss measurement, potentiodynamic polarization, and electrochemical impedance spectroscopy, respectively. All the results demonstrate that as-prepared aniline-formaldehyde copolymers are efficient mixed-type corrosion inhibitors for mild steels in hydrochloric acid. The corrosion inhibition mechanism is discussed in terms of the role of molecular structure on adsorption of the copolymers onto the steel surface in acid solution.

  10. Insights on the mechanism for synthesis of methylenedianiline from aniline and formaldehyde through HPLC-MS and isotope tracer studies

    Institute of Scientific and Technical Information of China (English)

    Chen Ye Wang; Hui Quan Li; Li Guo Wang; Yan Cao; Hai Tao Liu; Yi Zhang

    2012-01-01

    The mechanism for synthesis of 4,4-methylenedianiline (MDA) via condensation reaction of aniline with formaldehyde has been studied extensively in this paper.The intermediate and by-products were isolated and identified.The combination of isotope labeling and HPLC-MS characterizations disclosed that the reaction proceeded through an SN2 reaction mechanism.Moreover,the effect of aniline/formaldehyde molar ratio on the formation of MDA was investigated.This work would be of significance to understand the reaction mechanism deeply and provide valuable information for further improving the yield of desired product.

  11. Kinetics of the Reaction of 2-Chloro-3,5-dinitrobenzotriflouride with Aniline in Toluene and Methanol-Toluene Mixed Solvents

    Institute of Scientific and Technical Information of China (English)

    Fathalla; Magda F.

    2012-01-01

    Kinetics of the reaction of 2-chloro-3,5-dinitrobenzotriflouride with aniline were studied in toluene, metha- nol-toluene binary solvents, benzene and chloroform. The reaction in toluene exhibits third-order kinetics consistent with aggregates of aniline. Thermodynamic parameters AH#, AS# and AG# are calculated and discussed for the reaction of 2-chloro-3,5-dinitrobenzotriflouride with aniline in methanol-toluene. Molecular complexes between aniline and the substrate are rejected spectrophotometricaly. The mechanism is studied and compared with the reac- tion in presence of pyridine. It shows an amine dependence and formation of homo and/or hetero mixed aggregates between aniline and pyridine i.e. dimer mechanism.

  12. Conductive nano composites based on cellulose nano fiber coated poly aniline via in situ polymerization; Nanocompositos condutores de nanofibras de celulose recobertas com polianilina via polimerizacao in situ

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Michael J. da; Sanches, Alex O.; Malmonge, Luiz F.; Malmonge, Jose A. [Grupo de Polimero, Depto de Fisica e Quimica, Faculdade de Engenharia de Ilha Solteira, Universidade Estadual Paulista, Ilha Solteira, SP (Brazil); Medeiros, Eliton S. de [Depto de Engenharia de Materiais, Universidade Federal da Paraiba, Joao Pessoa, PB (Brazil); Rosa, Morsyleide F. [Embrapa Agroindustria Tropical, Fortaleza, CE (Brazil)

    2011-07-01

    Cellulose nano fiber (CNF) was extracted by acid hydrolysis from cotton microfibril and nano composites of CNF/PANI-DBSA were obtained by in situ polymerization of aniline onto CNF. The ratios between DBSA/aniline and aniline/oxidant were varied and the nano composites were characterized by four probes direct current (dc) electrical conductivity, ultraviolet-visible (UV-Vis-NIR) and FTIR spectroscopy and X-ray diffraction (XRD). Electrical conductive about {approx}10{sup -1}S/cm was research and was independent of DBSA/aniline molar ratio between 2-4 and the aniline/oxidant molar ratio between 1-5. X-ray patterns of the samples show crystalline peaks characteristic of cellulose I. The FTIR spectra confirmed the presence of PANI and CNF in all samples. (author)

  13. Excitation and ionization energies of substituted anilines calculated with density functional theory

    Directory of Open Access Journals (Sweden)

    Yuji Takahata

    2010-06-01

    Full Text Available Valence electron singlet excitation energies (VEExE, valence electron ionization energies (VEIE, core electron binding energies (CEBE, and non-resonant X-ray emission energies of substituted anilines and related molecules were calculated using density functional theory (DFT. The energy calculations were done with TZP basis set of Slater Type Orbitals. PW86x-PW91c, turned out to be the best XC functional among eight functionals tested for time dependent DFT (TDDFT calculation of the singlet excitation energies of the substituted anilines. Using the XC functional, average absolute deviation (AAD from experiment was 0.223 eV for eighteen cases with maximum absolute deviation of 0.932 eV. The valence electron ionization energies of the substituted benzenes were calculated by ΔSCF method with PW86x-PW91c. AAD from experiment was 0.21 eV. The CEBEs were calculated with the previously established method, named as scheme 2003. ΔCEBE(SMS,, sum of mono substituted (SMS CEBE shift, and mutual interference effect (MIE were defined and their values were calculated. Magnitude of MIE provides the degree of mutual interference between two substituents in a phenyl ring. Average absolute value of MIE was ca. 0.1 eV for the three isomers of phenetidine. Using the calculated valence electron ionization energies and the core electron binding energies of one of the phenetidines, some X-ray emission energies were calculated.

  14. Preparation and characterization of nanocomposite between poly(aniline-co-m-chloroaniline)-copper sulfide nanoparticles

    Science.gov (United States)

    Abbas, Saeed J.; Rani, Mamta; Tripathi, S. K.

    2014-06-01

    One dimensional nanostructures of poly(aniline-co-m-chloroaniline) nanocomposite (NC) with CuS nanoparticles (NPs) are prepared by template free method. CuS NPs are prepared by chemical method by using trisodium nitilotriacetate acid as a complexing agent. The materials are characterized by X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), Ultraviolet spectroscopy (UV-Vis), photoluminescence (PL) spectroscopy and thermogravimetric analysis (TGA). The hexagonal structure of CuS NPs is confirmed from XRD results with lattice parameters, a=3.78 Å and c=16.288 Å. The diameter of CuS NPs is found to be 16 nm from TEM measurements. Different shapes such as NPs, nanorods and nanotubes structures are observed for poly(aniline-co-m-chloroaniline) whereas its NC with CuS NPs have nanorod and nanotube shapes. Significant shift in the absorption edge of CuS NC is observed in comparison with copolymer and CuS NPs. Also the thermal stability of CuS NC is improved as compared with a copolymer and CuS NPs.

  15. Preparation and characterization of nanocomposite between poly(aniline-co-m-chloroaniline)–copper sulfide nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Saeed J.; Rani, Mamta; Tripathi, S.K., E-mail: surya@pu.ac.in

    2014-06-15

    One dimensional nanostructures of poly(aniline-co-m-chloroaniline) nanocomposite (NC) with CuS nanoparticles (NPs) are prepared by template free method. CuS NPs are prepared by chemical method by using trisodium nitilotriacetate acid as a complexing agent. The materials are characterized by X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), Ultraviolet spectroscopy (UV-Vis), photoluminescence (PL) spectroscopy and thermogravimetric analysis (TGA). The hexagonal structure of CuS NPs is confirmed from XRD results with lattice parameters, a=3.78 Å and c=16.288 Å. The diameter of CuS NPs is found to be 16 nm from TEM measurements. Different shapes such as NPs, nanorods and nanotubes structures are observed for poly(aniline-co-m-chloroaniline) whereas its NC with CuS NPs have nanorod and nanotube shapes. Significant shift in the absorption edge of CuS NC is observed in comparison with copolymer and CuS NPs. Also the thermal stability of CuS NC is improved as compared with a copolymer and CuS NPs.

  16. ELECTROCHEMICAL POLYMERIZATION OF ANILINE IN PHOSPHORIC ACID AND THE PROPERTIES OF POLYANILINE

    Institute of Scientific and Technical Information of China (English)

    Shao-lin Mu; Yong Kong; Jun Wu

    2004-01-01

    The behavior of the electrochemical polymerization of aniline in a weak acid, phosphoric acid, is very similar to that in strong acids, i.e. its polymerization rate increases quickly with the electrolysis time. The FTIR spectra of polyaniline samples synthesized in phosphoric acid indicate that the counter ion H2PO4- is present in both the oxidized form and the reduced form of polyaniline. The counter ion plays an important role in adjusting the pH value at the electrode surface of polyaniline during the oxidation and reduction processes. As a result, a pair of redox peaks still appear in cyclic voltammograms of polyaniline in a solution of sodium sulfate of pH 5.5 and in a solution of NaH2PO4 of pH 7.0,respectively, at low potential scan rate; and the color of polyaniline film also changes with applied potential at pH 7.0. Thus,the pH region for the electrochemical activity and the electrochromism of polyaniline is extended to pH 5.5 for a solution of sodium sulfate and to pH 7.0 for a solution of NaH2PO4. The conductivity of polyaniline is 3.3 Scm-1, depending on the concentration of phosphoric acid used in the stage of polymerization of aniline. The result of elemental analysis of polyaniline is presented here.

  17. Transformation of halogen-, alkyl-, and alkoxy-substituted anilines by a lactase of Trametes versicolor

    Energy Technology Data Exchange (ETDEWEB)

    Hoff, T.; Liu, S.Y.; Bollag, J.M.

    1985-05-01

    The lactase of the fungus Trametes versicolor was able to polymerize various halogen-, alkyl-, and alkoxy-substituted anilines, showing substrate specificity similar to that of horseradish peroxidase, whereas the lactase of Rhizoctonia praticola was active only with p-methoxyaniline. The substrate specificities of the enzymes were determined by using gas chromatography to measure the decrease in substrate concentration during incubation. With p-chloroaniline as the substrate, the peroxidase and the Trametes lactase showed maximum activity near pH 4.2. The transformation of this substrate gave rise to a number of oligomers, ranging from dimers to pentamers, as determined by mass spectrometry. The product profiles obtained by high-pressure liquid chromatography were similar for the two enzymes. A chemical reaction was observed between p-chloroaniline and an enzymatically formed dimer, resulting in the formation of a trimer. All three enzymes oxidized p-methoxyaniline to 2-amino-5-p-anisidinobenzoquinone di-p-methoxyphenylimine, but only the T. versicolor lactase and the peroxidase caused the formation of a pentamer (2,5-di-p-anisidinobenzoquinone di-p-methoxyphenylimine). These results demonstrate that in addition to horseradish peroxidase, a T. versicolor lactase can also polymerize aniline derivatives.

  18. Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

    Directory of Open Access Journals (Sweden)

    Andreas Gansäuer

    2013-08-01

    Full Text Available The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected PW6B95-D3 functional provided very good results with deviations for the free activation barrier compared to the experimental values of only about 0.5 kcal mol−1 and was therefore employed in further calculations. Corrections for intramolecular London dispersion and solvation effects in the quantum chemical treatment are essential to obtain consistent and accurate theoretical data. For the investigated radical addition reaction it turned out that the polarity of the molecules is important and that a combination of electrophilic radicals with preferably nucleophilic arenes results in the highest rate constants. This is opposite to the Minisci reaction where the radical acts as nucleophile and the arene as electrophile. The substitution at the N-atom of the aniline is crucial. Methyl substitution leads to slower addition than phenyl substitution. Carbamates as substituents are suitable only when the radical center is not too electrophilic. No correlations between free reaction barriers and energies (ΔG‡ and ΔGR are found. Addition reactions leading to indanes or dihydrobenzofurans are too slow to be useful synthetically.

  19. Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

    Science.gov (United States)

    Seddiqzai, Meriam; Dahmen, Tobias; Sure, Rebecca

    2013-01-01

    Summary The intramolecular radical addition to aniline derivatives was investigated by DFT calculations. The computational methods were benchmarked by comparing the calculated values of the rate constant for the 5-exo cyclization of the hexenyl radical with the experimental values. The dispersion-corrected PW6B95-D3 functional provided very good results with deviations for the free activation barrier compared to the experimental values of only about 0.5 kcal mol−1 and was therefore employed in further calculations. Corrections for intramolecular London dispersion and solvation effects in the quantum chemical treatment are essential to obtain consistent and accurate theoretical data. For the investigated radical addition reaction it turned out that the polarity of the molecules is important and that a combination of electrophilic radicals with preferably nucleophilic arenes results in the highest rate constants. This is opposite to the Minisci reaction where the radical acts as nucleophile and the arene as electrophile. The substitution at the N-atom of the aniline is crucial. Methyl substitution leads to slower addition than phenyl substitution. Carbamates as substituents are suitable only when the radical center is not too electrophilic. No correlations between free reaction barriers and energies (ΔG ‡ and ΔG R) are found. Addition reactions leading to indanes or dihydrobenzofurans are too slow to be useful synthetically. PMID:24062821

  20. SYNTHESIS AND PROPERTIES OF ANILINE AND o-AMINOBENZENESULFONIC ACID COPOLYMER

    Institute of Scientific and Technical Information of China (English)

    Jun-hua Fan; Mei-xiang Wan; Dao-ben Zhu

    1999-01-01

    Poly(aniline-co-o-aminobenzenesulfonic acid) (PAOABSA) as a water soluble conducting polymer was synthesized by chemical polymerization. The productivity and the room-temperature conductivity of the copolymer were measured as a function of the reaction conditions, such as reaction temperature, the ratio of oxidant to monomer and the degree of sulfonation defined as the ratio of sulfur to nitrogen atoms(S/N). The main results obtained are summarized as follows: (1) lower reaction temperature (at about 0℃) is favorable for the enhancement of the room-temperature conductivity of the copolymer; (2) higher content of oxidant is unfavorable for increasing the room-temperature conductivity of the copolymer; (3) both productivity and room-temperature conductivity of the copolymer decrease with increase of the degree of sulfonation which was always lower than 0.5 even an excess of o-aminobenzenesulfonic acid was added, probably because the reactivity ratio of aniline (γ1=2.99 ± 0.05) is much higher than that of o-aminobenzenesulfonic acid (γ2 = 0.06± 0.02) estimated by using Fineman-Ross method and least square method.

  1. Electro-adsorption of tetracycline from aqueous solution by carbonized pomelo peel and composite with aniline

    Science.gov (United States)

    Li, Na; Yang, Shaogui; Chen, Jian; Gao, Jia; He, Huan; Sun, Cheng

    2016-11-01

    Tetracycline is an important broad-spectrum antibiotic. Its overuse can easily cause water and soil pollution. In this study, a carbon electrode was successfully prepared by simple carbonization of a natural material pomelo peel to remove tetracycline from aqueous solution through electro-adsorption. Then the carbon electrode was modified by aniline to improve its mechanical strength. These materials were characterized by XRD, SEM, FT-IR and Zeta Potential, and all these characterizations demonstrated aniline coated on the carbon electrode perfectly. CV tests of electrodes demonstrated that carbon electrode was more inclined to the double layer capacitance, and composite electrode exhibited more properties of the pseudo capacitance. Adsorption experiments showed that adsorption efficiency of the carbon electrode was 95.11% after 3000 s and that of the composite electrode was 92.32% after 5000 s; polyaniline greatly improved the mechanical stability of the composite electrode. The composite electrode with high adsorbability and strong mechanical stability, has potential to treat tetracycline-containing wastewaters.

  2. Self-assembly of nanostructures obtained in a microwave-assisted oxidative polymerization of aniline

    Directory of Open Access Journals (Sweden)

    M. R. Gizdavic-Nikolaidis

    2014-10-01

    Full Text Available For the first time, microwave assisted aniline oxidative polymerization is performed in the presence of acetic acid (CH3COOH and ammonium hydroxide (NH4OH at different microwave power levels. The reaction system is kept at constant temperature of 24±1°C. The products are investigated by Fourier Transform Infrared Spectroscopy (FTIR, Raman, solid-state Nuclear Magnetic Resonance (NMR and Electron Paramagnetic Resonance (EPR spectroscopies. EPR signals in polyaniline (PANI originate from the polarons formed upon protonation and doping by acid. The microwave radiation causes an increase in the spin concentration which is slightly more evident for 8 W than for 93 W. The morphology is investigated by using scanning electron microscopy (SEM. SEM micrographs revealed the formation of nanorods (in the presence of CH3COOH and nanospheres (in the presence of NH4OH. FTIR, Raman and solid-state NMR spectroscopies indicate the presence of PANI and aniline oligomers. X-ray Diffraction (XRD measurements showed the presence of well-ordered structures.

  3. High pressure optical studies of crystalline anils and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Hockert, E.N.; Drickamer, H.G.

    1977-12-01

    High pressure optical studies have been made on a series of crystalline therochromic and photochromic anils and model compounds. Measurements include absorption and emission peak locations and the integrated intensities of various absorption peaks including the uv peak and visible peaks introduced thermally or by irradiation at various temperatures and pressures. Emission yields were also obtained. For the thermochromic compounds there was a large increase in the equilibrium yield of the thermally induced peak with pressure (piezochromism), corresponding to a volume decrease of approx.1.2 cc/mole for 5-bromosalicylidene aniline (5BrSA). The emission peak shifts to lower energy and decreases in intensity primarily because of increased rate of the radiationless conversion. For salicylidene aniline and related photochromic crystals the rate of photochromic conversion varied with both pressure and temperature in a manner which depends on the size of the energy barriers to the forward and reverse processes. The emission yield increases with pressure at low pressure, goes through a maximum, and decreases at high pressure. At low pressure the dominant feature is increase in occupation of the emitting state while at high pressure the increased rate of the radiationless process governs. For 2- (O-hydroxyphenyl) benzoxazole (OHBO) (see Fig. 1), where a keto--enol rearrangement is most probable, the changes in absorption and emission intensity can be related to the same diagram used for the anils. This diagram also describes the behavior of benzilidene aniline (BA), where only a cis--trans isomerization is possible.

  4. A facile BPO-mediated ortho-hydroxylation and benzoylation of N-alkyl anilines for synthesis of 2-benzamidophenols.

    Science.gov (United States)

    Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui

    2014-06-20

    A facile benzoyl peroxide (BPO) mediated ortho-hydroxylation and benzoylation of N-alkyl anilines for the synthesis of 2-benzamidophenols has been developed. The reaction tolerates a wide range of functional groups and is a good method for the straightforward synthesis of valuable 2-benzamidophenols in good yields under mild conditions.

  5. AN EFFICIENT AQUEOUS N-HETEROCYCLIZATION OF ANILINE DERIVATIVES: MICROWAVE-ASSISTED SYNTHESIS OF N-ARYL AZACYCLOALKANES

    Science.gov (United States)

    N-aryl azacycloalkanes, an important class of building blocks in natural product and pharmaceuticals, are synthesized via an efficient and simple eco-friendly protocol that involves double N-alkylation of aniline derivatives. The reaction is accelerated by exposure to microwaves ...

  6. Proteogenomic Characterization of Monocyclic Aromatic Hydrocarbon Degradation Pathways in the Aniline-Degrading Bacterium Burkholderia sp. K24.

    Directory of Open Access Journals (Sweden)

    Sang-Yeop Lee

    Full Text Available Burkholderia sp. K24, formerly known as Acinetobacter lwoffii K24, is a soil bacterium capable of utilizing aniline as its sole carbon and nitrogen source. Genomic sequence analysis revealed that this bacterium possesses putative gene clusters for biodegradation of various monocyclic aromatic hydrocarbons (MAHs, including benzene, toluene, and xylene (BTX, as well as aniline. We verified the proposed MAH biodegradation pathways by dioxygenase activity assays, RT-PCR, and LC/MS-based quantitative proteomic analyses. This proteogenomic approach revealed four independent degradation pathways, all converging into the citric acid cycle. Aniline and p-hydroxybenzoate degradation pathways converged into the β-ketoadipate pathway. Benzoate and toluene were degraded through the benzoyl-CoA degradation pathway. The xylene isomers, i.e., o-, m-, and p-xylene, were degraded via the extradiol cleavage pathways. Salicylate was degraded through the gentisate degradation pathway. Our results show that Burkholderia sp. K24 possesses versatile biodegradation pathways, which may be employed for efficient bioremediation of aniline and BTX.

  7. Biological Properties of Chloro-salicylidene Aniline and Its Complexes with Co(II) and Cu(II)

    OpenAIRE

    IQBAL, Javed; TIRMIZI, Syed Ahmad; Wattoo,Feroza Hamid; Imran, Muhammad

    2014-01-01

    New complexes of chloro-salicylidene aniline with Co(II) and Cu(II) were synthesised and screened for antibacterial activity against several bacterial strains, namely Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa. The metal complexes showed enhanced antibacterial activity compared to uncomplexed ligands.

  8. Biological Properties of Chloro-salicylidene Aniline and Its Complexes with Co(II) and Cu(II)

    OpenAIRE

    IQBAL, Javed; TIRMIZI, Syed Ahmad; Wattoo,Feroza Hamid; Imran, Muhammad

    2006-01-01

    New complexes of chloro-salicylidene aniline with Co(II) and Cu(II) were synthesised and screened for antibacterial activity against several bacterial strains, namely Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa. The metal complexes showed enhanced antibacterial activity compared to uncomplexed ligands.

  9. Optimization of alkylating agent prodrugs derived from phenol and aniline mustards: a new clinical candidate prodrug (ZD2767) for antibody-directed enzyme prodrug therapy (ADEPT).

    Science.gov (United States)

    Springer, C J; Dowell, R; Burke, P J; Hadley, E; Davis, D H; Blakey, D C; Melton, R G; Niculescu-Duvaz, I

    1995-12-22

    Sixteen novel potential prodrugs derived from phenol or aniline mustards and their 16 corresponding drugs with ring substitution and/or different alkylating functionalities were designed. The [[[4-]bis(2-bromoethyl)-(1a), [[[4-[bis(2-iodoethyl)-(1b), and [[[4-[(2-chloroethyl)-[2-(mesyloxy)ethyl]amino]phenyl]oxy] carbonyl]-L-glutamic acids (1c), their [[[2- and 3-substituted-4-[bis(2-chloroethyl)amino]phenyl]oxy]carbonyl]-L- glutamic acids (1e-1), and the [[3-substituted-4-[bis(2-chloroethyl)amino]phenyl]carbamoyl]-L- glutamic acids (1o-r) were synthesized. They are bifunctional alkylating agents in which the activating effect of the phenolic hydroxyl or amino function is masked through an oxycarbonyl or a carbamoyl bond to a glutamic acid. These prodrugs were designed to be activated to their corresponding phenol and aniline nitrogen mustard drugs at a tumor site by prior administration of a monoclonal antibody conjugated to the bacterial enzyme carboxypeptidase G2 (CPG2) in antibody-directed enzyme prodrug therapy (ADEPT). The synthesis of the analogous novel parent drugs (2a-r) is also described. The viability of a colorectal cell line (LoVo) was monitored with the potential prodrugs and the parent drugs. The differential in the cytotoxicity between the potential prodrugs and their corresponding active drugs ranged between 12 and > 195 fold. Compounds 1b-d,f,o exhibited substantial prodrug activity, since a cytotoxicity differential of > 100 was achieved compared to 2b-d,f,o respectively. The ability of the potential prodrugs to act as substrates for CPG2 was determined (kinetic parameters KM and kcat), and the chemical stability was measured for all the compounds. The unsubstituted phenols with different alkylating functionalities (1a-c) proved to have the highest ratio of the substrates kcat:KM. From these studies [[[4-[bis(2-iodoethyl)amino]phenyl]oxy]carbonyl]-L-glutamic acid (1b) emerges as a new ADEPT clinical trial candidate due to its physicochemical and

  10. Efficient removal of aniline by a water-compatible microporous and mesoporous hyper-cross-linked resin and XAD-4 resin: A comparative study

    Science.gov (United States)

    Xiao, Guqing; Long, Liping

    2012-06-01

    A novel water-compatible microporous and mesoporous hyper-cross-linked resin modified with phenolic hydroxyl group (named as GQ-03) was synthesized to remove aniline in aqueous solution as compared with XAD-4. The maximum adsorption capacity of GQ-03 emerged at the molecular state for both aniline and p-cresol while the pH dependency trend of aniline adsorbed onto XAD-4 was accordant with the dissociation curve of aniline. The ionic strength influenced the adsorption obviously. The pseudo-first-order rate equation could describe the adsorption process of aniline onto GQ-03 in two stages while this equation could characterize the entire adsorption process of XAD-4. The adsorption isotherms could be correlated to the Freundlich model, higher KF and n values for GQ-03 than XAD-4. The breakthrough capacity and the total adsorption capacity of GQ-03 and XAD-4 was up to 47.2 mg mL-1 and 28.3 mg mL-1, 271.7 mg mL-1 and 115.6 mg mL-1, respectively. The size matching between the pore diameter of GQ-03 and the molecular size of aniline, and hydrogen bonding between GQ-03 and aniline resulted in the larger adsorption capacity.

  11. Relaxation of the excited -(2-hydroxy benzylidene) aniline molecule: An ab initio and TD DFT study

    Indian Academy of Sciences (India)

    Biswajit Chowdhury; Rina De; Pinaky Sett; Joydeep Chowdhury

    2010-11-01

    The photophysical behaviour of N-(2-hydroxy benzylidene) aniline or most commonly known as salicylideneaniline (SA) has been investigated using the ab initio and DFT levels of theory. The quantum chemical calculations show that the optimized non planar enol (1) form of the SA molecule is the most stable conformer in the ground state and is marked by the twisting of the phenolic and anilino rings of the molecule. The geometry optimizations and the subsequent frequency calculations of the excited singlet electronic states of the various tautomeric forms of SA molecule were performed with the CIS level of theory. A detail theoretical investigation on the relaxation dynamics of the SA molecule has been presented. Possible explanation on the excitation wavelength dependence of the photochromic yield of the molecule is also reported.

  12. A novel electrochemical alkylation of aniline with methanol over Zn/Cu salts modified kaolin

    Energy Technology Data Exchange (ETDEWEB)

    Ma Hongzhu [Institute of Energy-Chemistry, College of Chemistry and Materials Science, Shaanxi Normal University, Xi' An 710062 (China); Wang Bo [Institute of Energy-Chemistry, College of Chemistry and Materials Science, Shaanxi Normal University, Xi' An 710062 (China)], E-mail: wangbo@snnu.edu.cn; Zhao, Jun [Institute of Energy-Chemistry, College of Chemistry and Materials Science, Shaanxi Normal University, Xi' An 710062 (China)

    2008-04-01

    A novel liquid phase alkylation of aniline with methanol over Zn/Cu salts modified kaolin assisted with a pair of porous carbon electrode in slurry-bed reactor under constant current intensity, room temperature and atmospheric pressure was reported. The Zn/Cu salts modified kaolin catalysts were synthesized and characterized by infrared spectrometer (IR), powder X-ray diffraction (XRD) and scanning electron microscopy (SEM), which showed that the transition metals were completely supported on kaolin's structure and formed a pored one. The effect parameters, such as initial pH, electrolysis time, metal ratio with kaolin and salts composition in this electrochemical catalytic system, were studied. The procedure was inspected by ultraviolet-visible spectrum (UV-vis), and the product distribution was detected by gas chromatography/mass spectrometry (GC/MS). In addition, a possible reaction mechanism was also proposed.

  13. The use of poly(ethylene terephthalate)-poly(aniline) composite for trypsin immobilisation

    Energy Technology Data Exchange (ETDEWEB)

    Caramori, S.S. [Laboratorio de Quimica de Proteinas, Departamento de Bioquimica e Biologia Molecular, Instituto de Ciencias Biologicas, Universidade Federal de Goias, Cx. Postal 131, 74001-970 Goiania-GO (Brazil)], E-mail: samanthabio@hotmail.com; Fernandes, K.F. [Laboratorio de Quimica de Proteinas, Departamento de Bioquimica e Biologia Molecular, Instituto de Ciencias Biologicas, Universidade Federal de Goias, Cx. Postal 131, 74001-970 Goiania-GO (Brazil)], E-mail: katia@icb.ufg.br

    2008-08-01

    This paper presents trypsin immobilisation on strips of poly(ethylene terephthalate)-poly(aniline), activated with glutaraldehyde (PET-PANIG) composite. The photomicrography of the material showed changes corresponding to the chemical modifications produced in the steps of synthesis. The immobilisation process was very efficient under optimal conditions (18.6%). The immobilised and free enzyme presented the same pH and temperature optimum. PET-PANIG-trypsin was able to hydrolyse casein, albumin, gelatine, and skimmed milk. Km{sub app} value for PET-PANIG-trypsin was very close to Km of the free enzyme for casein. Immobilised trypsin showed higher stability than the free enzyme, with 100% activity after 14 days of storage at 4 deg. C and 100% operational stability after 4 cycles of use.

  14. pKa predictions of some aniline derivatives by ab initio calculations

    Directory of Open Access Journals (Sweden)

    Reza Behjatmanesh-Ardakani

    2014-04-01

    Full Text Available In this work, different levels of theory containing HF, B3LYP, and MP2 with different basis sets such as 6-31G, 6-31G*, 6-311G, 6-311+G, 6-31+G*, 6-31+G are used to predict relative acidity constants of some aniline derivatives. Three different kinds of radii containing UAHF, Bondi, and Pauling are used to study how cavity forms change acidity constants. In all cases, DPCM model is used to simulate solvation Gibbs free energy. Furthermore, one similar level and basis set has been linked to IEFPCM and DPCM models to compare the results. To relate gas-phase Gibbs free energy to the solution Gibbs free energy, a simple thermodynamic cycle is used. Results show that quantum chemical calculations are robust techniques for estimating acidity constants.

  15. Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state

    Science.gov (United States)

    Farasat, M.; Shojaei, S. H. R.; Morini, F.; Golzan, M. M.; Deleuze, M. S.

    2016-04-01

    The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born-Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ˜10.0 and ˜12.0 eV (band C) and between ˜16.5 and ˜20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion.

  16. Dynamical insights into 1πσ* state mediated photodissociation of aniline

    Science.gov (United States)

    King, Graeme A.; Oliver, Thomas A. A.; Ashfold, Michael N. R.

    2010-06-01

    This article reports a comprehensive study of the mechanisms of H atom loss in aniline (C6H5NH2) following ultraviolet excitation, using H (Rydberg) atom photofragment translational spectroscopy. N-H bond fission via the low lying π1σ∗ electronic state of aniline is experimentally demonstrated. The π1σ∗ potential energy surface (PES) of this prototypical aromatic amine is essentially repulsive along the N-H stretch coordinate, but possesses a shallow potential well in the vertical Franck-Condon region, supporting quasibound vibrational levels. Photoexcitation at wavelengths (λphot) in the range 293.859 nm≥λphot≥193.3 nm yields H atom loss via a range of mechanisms. With λphot resonant with the 1π1π∗←S0 origin (293.859 nm), H atom loss proceeds via, predominantly, multiphoton excitation processes, resonantly enhanced at the one photon energy by the first π1π∗ excited state (the 1π1π∗ state). Direct excitation to the first few quasibound vibrational levels of the π1σ∗ state (at wavelengths in the range 269.513 nm≥λphot≥260 nm) induces N-H bond fission via H atom tunneling through an exit barrier into the repulsive region of the π1σ∗ PES, forming anilino (C6H5NH) radical products in their ground electronic state, and with very limited vibrational excitation; the photo-prepared vibrational mode in the π1σ∗ state generally evolves adiabatically into the corresponding mode of the anilino radical upon dissociation. However, as the excitation wavelength is reduced (λphot<260 nm), N-H bond fission yields fragments with substantially greater vibrational excitation, rationalized in terms of direct excitation to 1π1π∗ levels, followed by coupling to the π1σ∗ PES via a 1π1π∗/π1σ∗ conical intersection. Changes in product kinetic energy disposal once λphot approaches ˜230 nm likely indicate that the photodissociation pathways of aniline proceed via direct excitation to the (higher) 2π1π∗ state. Analysis of the

  17. Analyses of nitrobenzene,benzene and aniline in environmental water samples by headspace solid phase micro-extraction coupled with gas chromatography-mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    CHEN Ming; YIN Yongguang; TAI Chao; ZHANG Qinghua; LIU Jiyan; HU Jingtian; JIANG Guibin

    2006-01-01

    A headspace solid phase microextraction coupled with gas chromatography mass spectrometry (HS-SPME/GC-MS) method was established for analyzing nitrobenzene, benzene and aniline in environmental water samples simultaneously.Factors affecting extraction efficiency (SPME fiber selection, acidity, temperature, salt addition, extraction time, headspace, etc) were verified. Under optimal extraction conditions, the detection limits are 0.50, 0.11 and 1.00 μg/L for nitrobenzene, benzene and aniline, respectively. The results indicate that this method is capable of making sensitive and accuracy analyses on nitrobenzene, benzene and aniline in environmental water samples.

  18. BIODEGRADATION OF AROMATIC AMINE COMPOUNDS USING MOVING BED BIOFILM REACTORS

    Directory of Open Access Journals (Sweden)

    M. Delnavaz ، B. Ayati ، H. Ganjidoust

    2008-10-01

    Full Text Available Three moving bed biofilm reactors were used to treat synthesized wastewater of aromatic amine compounds including aniline, para-diaminobenzene and para-aminophenol that are found in many industrial wastewaters. The reactors with cylindrical shape had an internal diameter and an effective depth of 10 and 60 cm, respectively. The reactors were filled with light expanded clay aggregate as carriers and operated in an aerobic batch and continuous conditions. Evaluation of the reactors' efficiency was done at different retention time of 8, 24, 48 and 72 h with an influent COD from 100 to 3500 mg/L (filling ratio of 50%. The maximum obtained removal efficiencies were 90% (influent COD=2000 mg/L, 87% (influent COD=1000 mg/L and 75% (influent COD=750 mg/L for aniline, para-diaminobenzene and para-aminophenol, respectively. In the study of decrease in filling ratio from 50 to 30 percent, 6% decrease for both para-diaminobenzene and para-aminophenol and 7% increase for aniline degradation were obtained. The removal efficiency was decreased to about 10% after 15 days of continuous loading for each of the above three substrates. In the shock loading test, initially the COD removal rate was decreased in all reactors, but after about 10 days, it has been approached to the previous values. Finally, biodegradability of aromatic amines has been proved by nuclear magnetic resonance system.

  19. Investigation of anti-corrosive properties of poly(aniline-co-2-pyridylamine-co-2,3-xylidine) and its nanocomposite poly(aniline-co-2-pyridylamine-co-2,3-xylidine)/ZnO on mild steel in 0.1 M HCl

    Science.gov (United States)

    Alam, Ruman; Mobin, Mohammad; Aslam, Jeenat

    2016-04-01

    A soluble terpolymer of aniline (AN), 2-pyridylamine (PA) and 2,3-xylidine (XY), poly(AN-co-PA-co-XY) and its nanocomposite with ZnO nanoparticles namely, poly(AN-co-PA-co-XY)/ZnO were synthesized by chemical oxidative polymerization employing ammonium persulfate as an oxidant. Nanocomposites of homopolymers, polyaniline/ZnO, poly(XY)/ZnO and poly(PA)/ZnO were also synthesized by following similar synthesis route. FTIR, XRD and SEM techniques were used to characterize the synthesized compounds. The synthesized compounds were chemically deposited on mild steel specimens by solvent evaporation method using N-methyl-2-pyrrolidone (NMP) as solvent and 10% epoxy resin (by weight) as binder. Anticorrosive properties of homopolymer nanocomposites, terpolymer and its nanocomposite coatings were studied in 0.1 M HCl by subjecting them to various corrosion tests which includes: free corrosion potential measurement (OCP), weight loss measurements, potentiodynamic polarization, and AC impedance technique. The surface morphology of the corroded and uncorroded coated steel specimens was evaluated using SEM. The corrosion protection performance of terpolymer nanocomposite coating was compared to the terpolymer and individual homopolymers nanocomposites coatings after 30 days immersion in corrosive medium.

  20. Study of the growth and pyroelectric properties of TGS crystals doped with aniline-family dipolar molecules

    Science.gov (United States)

    Zhang, Kecong; Song, Jiancheng; Wang, Min; Fang, Changshui; Lu, Mengkai

    1987-04-01

    TGS crystals doped with aniline-family dipolar molecules (aniline, 2-aminobenzoic acid, 3-aminobenzoic acid, 3-aminobenzene-sulphonic acid, 4-aminobenzenesulphonic acid and 4-nitroraniline) have been grown by the slow-cooling solution method. The influence of these dopants on the growth habits, crystal morphology pyroelectric properties, and structure parameters of TGS crystals has been systematically investigated. The effects of the domain structure of the seed crystal on the pyroelectric properties of the doped crystals have been studied. It is found that the spontaneous polarization (P), pyroelectric coefficient (lambda), and internal bias field of the doped crystals are slightly higher than those of the pure TGS, and the larger the dipole moment of the dopant molecule, the higher the P and lambda of the doped TGS crystal.

  1. Volumetric Properties of the Mixture Trichloromethane CHCl3 + C6H7N Aniline (VMSD1211, LB4340_V)

    Science.gov (United States)

    Cibulka, I.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

    This document is part of Subvolume C 'Binary Liquid Systems of Nonelectrolytes III' of Volume 26 'Heats of Mixing, Vapor-Liquid Equilibrium, and Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV 'Physical Chemistry'. It contains the Chapter 'Volumetric Properties of the Mixture Trichloromethane CHCl3 + C6H7N Aniline (VMSD1211, LB4340_V)' providing data from direct low-pressure dilatometric measurement of molar excess volume at variable mole fraction and constant temperature.

  2. Radical cation salts induced domino reaction of anilines with enol ethers: Synthesis of 1,2,3,4-tetrahydroquinoline derivatives

    Institute of Scientific and Technical Information of China (English)

    Xiao Dong Jia; Yan Ren; Cong Dde Huo; Wen Juan Wang; Xiang Ning Chen; Qiong Fu; Xi Cun Wang

    2011-01-01

    A domino reaction of anilines with cyclic and acyclic enol ethers induced by catalytic amounts of TBPA+ (5 mol%) was investigated and a series of 2,4-disubstituted-1,2,3,4-tetrahydroquinolines were synthesized. Different from cyclic enol ethers, when acyclic enol ethers were used in the reaction, they serve as surrogates of acetaldehyde, producing a series of 2-methyl-4-anilino-1,2,3,4-tetrahydroquinolines. A single electron transfer mechanism was proposed to rationalize the products formation.

  3. Iridium- and ruthenium-catalysed synthesis of 2,3-disubstituted indoles from anilines and vicinal diols

    DEFF Research Database (Denmark)

    Tursky, Matyas; Lorentz-Petersen, Linda Luise Reeh; Olsen, L. B.;

    2010-01-01

    A straightforward and atom-economical method is described for the synthesis of 2,3-disubstituted indoles. Anilines and 1,2-diols are condensed under neat conditions with catalytic amounts of either [Cp*IrCl2](2)/MsOH or RuCl3 center dot xH(2)O/phosphine (phosphine = PPh3 or xantphos). The reaction...

  4. STUDIES ON THE INITIATION MECHANISM OF ORGANIC PEROXIDE AND N-METHACRYLOYLOXYETHYL-N-METHYL ANILINE IN METHYL METHACRYLATE POLYMERIZATION

    Institute of Scientific and Technical Information of China (English)

    QIU Kunyuan; GUO Dajie; GUO Xinqiu; FENG Xinde

    1990-01-01

    The initiation mechanism of methyl methacrylate (MMA) polymerization by organic peroxide and polymerizable aromatic tertiary amine such as N-methacryloyloxyethyl-N-methyi aniline (MEMA) binary system has been studied. The kinetics of polymerization of MMA and the ESR spectra of organic peroxide/MEMA system were determined. Based on the ESR study and the end-group analysis by UV spectra of the polymer formed, the initiation mechanism is proposed.

  5. Noncatalytic mono-N-methylation of aniline in supercritical methanol: the kinetics and acid/base effect.

    Science.gov (United States)

    Takebayashi, Yoshihiro; Morita, Yoshinori; Sakai, Hideki; Abe, Masahiko; Yoda, Satoshi; Furuya, Takeshi; Sugeta, Tsutomu; Otake, Katsuto

    2005-08-21

    Aniline is easily N-methylated in supercritical methanol without catalyst at 350 degrees C and 0.237 g cm-3 to give mono-N-methylaniline with high selectivity, and the reaction rate is increased by a small amount of base (LiOH, NaOH, KOH, and CH3ONa), indicating a difference in the reaction mechanism from the ordinary acid-catalyzed one.

  6. Synthesis and characterization of conducting poly (1-aminonaphthalene), poly (2-aminonaphthalene) and poly (aniline-co-1-aminonaphthalene)

    Indian Academy of Sciences (India)

    Bidhan C Roy; Maya Dutta Gupta; Leena Bhowmik; Jayanta K Ray

    2003-10-01

    Poly (1&2)-aminonaphthalene and poly (aniline-co-1-aminonaphthalene) have been synthesized in high yields by chemical oxidative polymerization method. The polymers are soluble in polar solvents such as DMSO, NMP etc. In PNA-2 as head-to-tail coupling cannot occur, the electrical conductivity is lower than PNA-1. The copolymer exhibits distinct morphology, higher viscosity, characteristic exciton peak, appreciable thermal stability and electrical conductivity compared to PNA-1.

  7. Synthesis and Characterization of Polyureas from Aniline Trimer with TDI, MDI and HDI as pH Sensitive Materials

    Institute of Scientific and Technical Information of China (English)

    Liu Siwei; Zhang Yi; Xu Jiarui

    2011-01-01

    A series of polyureas were synthesized through the reaction of aniline trimer with toluene-diisocyanate, di-phenylmethane-4,4'-diisocyanate, and hexamethylene-1,6-diisocyanate, respectively. The chemical structure of these polyureas was characterized and verified by FT-IR, 1H NMR, elemental analysis, UV, XRD and CV. The conductivity of these polyureas ranged from 10-7 to 10-6 S/cm measured by four-point-probe instrument. Com-pared to the standalone aniline trimer, the stability (thermal stability and electrochemical stability), response range and sensitivity of these polyureas are enhanced. The sensitivity of these polyureas DMF solution to pH value is superior to that of the standalone aniline trimer. The color of the polyureas DMF solution is greatly depended on pH value and the color change process is reversible, whenever from base to acid or from acid to base. These enhance-ments may give these polyureas more opportunities in order to be used as sensor materials.

  8. Micellization behavior of mixtures of amphiphilic promazine hydrochloride and cationic aniline hydrochloride in aqueous and electrolyte solutions

    Energy Technology Data Exchange (ETDEWEB)

    Rub, Malik Abdul; Azum, Naved; Asiri, Abdullah M. [King Abdulaziz University, Jeddah (Saudi Arabia); Khan, Farah [Aligarh Muslim University, Aligarh (India); Al-Sehemi, Abdullah G. [Research Center for Advanced Materials Science, King Khalid University, Abha (Saudi Arabia)

    2015-10-15

    We studied the influence of cationic hydrotrope aniline hydrochloride on the micellization behavior of cationic amphiphilic phenothiazine drug promazine hydrochloride in the presence and absence of 50mmol kg{sup -1} NaCl. The experimental critical micelle concentration (CMC) values came out to be lower than ideal CMC (CMCid) values, signifying attractive interactions between the two components in mixed micelles. NaCl further decreases the CMC of pure PMZ and aniline hydrochloride as well as their mixture due to screening of the electrostatic repulsion among the polar head groups. The bulk properties of solution were examined by using different theoretical models for justification and comparison of results. The micellar mole fraction of aniline hydrochloride (X{sup Rub}{sub ,} X{sup M}{sub 1}, X{sup Rod}{sub 1} and X{sup id}{sub 1}) was evaluated by different proposed models, showing greater contribution of hydrotrope in mixed micelle. The negative values of interaction parameter (β) indicate synergistic interactions and negative values of β further decrease by the addition of salt in mixed systems. From the CMC values as a function of temperature, various thermodynamic properties have been evaluated and discussed in detail.

  9. Electrical Conductivity Properties of Newly Synthesized Melamine - Aniline - Formaldehyde Terpolymer and its Polychelate

    Directory of Open Access Journals (Sweden)

    K. P. Dharkar

    2011-01-01

    Full Text Available Terpolymer MAF synthesized by the polycondensation of melamine (M and aniline (A with formaldehyde (F in the presence of an acid catalyst in 1:1:3 molar proportions of the reacting monomers. Polychelates were prepared by using metal acetate, metal salts and MAF ligand in DMF medium. The prepared terpolymer and its polychelates were characterized by using elemental analysis, magnetic studies and spectral analysis. In the present paper, electrical conductivity properties of the terpolymer and its polychelates were studied over a wide range of temperature and is in the order MAF

  10. Evaluation of the aniline chemical oxidation process using multiple simultaneous electrochemical responses

    Energy Technology Data Exchange (ETDEWEB)

    Cristovan, Fernando H. [Laboratorio Interdisciplinar de Eletroquimica e Ceramica, Departamento de Quimica, Universidade Federal de Sao Carlos, CP 676, 13560-970, Sao Carlos, SP (Brazil); Lemos, Sherlan G. [Departamento de Quimica, Universidade Federal da Paraiba, CP 5093, 58051-970, Joao Pessoa, PB (Brazil); Santos, Janaina S.; Trivinho-Strixino, Francisco [Laboratorio Interdisciplinar de Eletroquimica e Ceramica, Departamento de Quimica, Universidade Federal de Sao Carlos, CP 676, 13560-970, Sao Carlos, SP (Brazil); Pereira, Ernesto C., E-mail: decp@power.ufscar.b [Laboratorio Interdisciplinar de Eletroquimica e Ceramica, Departamento de Quimica, Universidade Federal de Sao Carlos, CP 676, 13560-970, Sao Carlos, SP (Brazil); Mattoso, Luiz H.C. [Laboratorio Nacional de Nanotecnologia para o Agronegocio, Embrapa Instrumentacao Agropecuaria, CP 741, CEP 13560-970, Sao Carlos, SP (Brazil); Kulkarni, Rashmi; Manohar, Sanjeev K. [Department of Chemical Engineering, One University Avenue, Room EB 106, University of Massachusetts Lowell, MA 01854 (United States)

    2010-04-30

    In this paper we show the simultaneous evaluation of the electrochemical impedance, the open circuit potential and the mass variation of the polyaniline deposited on a metal substrate during chemical oxidation of aniline. We detected that the final properties of the polymer could be practically defined after the inflection point of the potential profile. Considering a series connection of R and C, impedance Z was decomposed into the resistive and capacitive components. The resistivity and permittivity show a slight change after the inflection point in the potential profile. Impedance data and mass changes during synthesis also contributed to a better definition of the induction period. We described the system as whole, which relates to an electronic transport and to an electronic charge storage process. Although very simple, this model helps us to interpret and correlate different techniques to explain the results. In addition, we demonstrated that the in situ evaluation of the parameters described above offers new insights on the chemical synthesis mechanism of polyaniline.

  11. Resonance Rayleigh scattering method for highly sensitive detection of chitosan using aniline blue as probe

    Science.gov (United States)

    Zhang, Weiai; Ma, Caijuan; Su, Zhengquan; Bai, Yan

    2016-11-01

    This paper describes a highly sensitive and accurate approach using aniline blue (AB) (water soluble) as a probe to determine chitosan (CTS) through Resonance Rayleigh scattering (RRS). Under optimum experimental conditions, the intensities of RRS were linearly proportional to the concentration of CTS in the range from 0.01 to 3.5 μg/mL, and the limit of detection (LOD) was 6.94 ng/mL. Therefore, a new and highly sensitive method based on RRS for the determination of CTS has been developed. Furthermore, the effect of molecular weight of CTS and the effect of the degree of deacetylation of CTS on the accurate quantification of CTS was studied. The experimental data was analyzed by linear regression analysis, which indicated that the molecular weight and the degree of deacetylation of CTS had no statistical significance and this method could be used to determine CTS accurately. Meanwhile, this assay was applied for CTS determination in health products with satisfactory results.

  12. Enzymatic polymerization of aniline in the presence of different inorganic substrates

    Energy Technology Data Exchange (ETDEWEB)

    Flores-Loyola, E. [Centro de Investigacion en Quimica Aplicada, Blvd. Enrique Reyna No. 140, CP 25100 Saltillo, Coah (Mexico); Escuela de Ciencias Biologicas, UA de C. Carr. Torreon-Matamoros Km 7.5, Ciudad Universitaria, CP 27400 Torreon, Coah. (Mexico)], E-mail: erika-flores@mail.uadec.mx; Cruz-Silva, R. [Centro de Investigacion en Ingenieria y Ciencias Aplicadas, UAEM. Av. Universidad 1001, Col. Chamilpa, CP 62210, Cuernavaca Mor. (Mexico); Romero-Garcia, J.; Angulo-Sanchez, J.L. [Centro de Investigacion en Quimica Aplicada, Blvd. Enrique Reyna No. 140, CP 25100 Saltillo, Coah (Mexico); Castillon, F.F.; Farias, M.H. [Centro de Ciencias de la Materia Condensada de la UNAM, Apdo. Postal 2681, CP 22800 Ensenada, B.C. (Mexico)

    2007-09-15

    The effect of different inorganic substrates in the structure of polyaniline synthesized by enzymatic oxidation was studied. The polymer characterization was done by electronic absorption and X-ray photoelectron spectroscopy. The substrates studied were: controlled pore glass, mordenite, zeolite Y, zeolite MCM-41, Wollastonite, silica gel, fuming silica and short glass fibers type E. Polyaniline was synthesized in the presence of the substrates under acidic aqueous conditions, using hydrogen peroxide as oxidizer and HRP or SBP enzymes as catalyst. The composition of the substrates strongly affected the degree of electronic conjugation of the synthesized polyaniline, whereas the pore size and the enzyme type apparently had no effect. The chemical structure of polyaniline enzymatically synthesized was more sensitive to the substrate composition than that chemically synthesized. Apparently substrates containing alkaline ions, such as sodium and calcium, promoted the formation of the branched, non-conductive polyaniline form. The effect of the substrates on the polyaniline structure can be explained considering the local pH effect of the templates surface on the coupling reaction of aniline radicals.

  13. Study on the basic nitrogen compounds from coal-derived oil

    Institute of Scientific and Technical Information of China (English)

    Xiao-hui GU; Xue-feng MAO; Yuan ZHAO; Wen-bo LI; Xiao-jing ZHANG

    2013-01-01

    The distillation range analysis and elemental analysis of fractioned direct liquefied oil were conducted.Each fraction of liquefied oil contains some nitrogen compounds.Using the acid extraction method and gas chromatography/mass spectrometry (GC-MS),the basic nitrogen compounds have been separated and identified.Compared with the nitrogen content of the liquefied oil before and after separation,the basic nitrogen compounds account for more than half of all nitrogen compounds.The basic nitrogen compounds in the light liquefied oil are easily separated,and contain more types of basic nitrogen compounds.The results also show that there are many basic nitrogen compounds in liquefied oil,such as pyrrole,aniline,pyridine,quinoline and so on.However,there are fewer other types of basic nitrogen compounds.

  14. Simulated water-washing of organic compounds from self-heated coal wastes of the Rymer Cones Dump (Upper Silesia Coal Region, Poland)

    Energy Technology Data Exchange (ETDEWEB)

    Skret, U.; Fabianska, M.J.; Misz-Kennan, M. [University of Silesia, Sosnowiec (Poland). Faculty of Earth Science

    2010-09-15

    The products of coal waste self-heating were investigated as potential contaminants of groundwater. Simulated water-washing was carried out to establish the types of compounds leached from coal wastes. The results indicate that it is primarily phenols, hydroxybiphenyls, anilines, quinolines and lower molecular weight (MW) polynuclear aromatic hydrocarbons (PAHs) that are transferred to the water phase. Compounds retaining the molecular structure of a parent-lignin coniferyl unit seem to be good indicators of pyrolysate component leaching.

  15. Rhizobium borbori sp. nov., aniline-degrading bacteria isolated from activated sludge.

    Science.gov (United States)

    Zhang, Guo Xia; Ren, Sui Zhou; Xu, Mei Ying; Zeng, Guo Qu; Luo, Hui Dong; Chen, Jin Lin; Tan, Zhi Yuan; Sun, Guo Ping

    2011-04-01

    Three aniline-degrading bacteria, strains DN316(T), DN316-1 and DN365, were isolated from activated sludge. According to 16S rRNA gene sequence-based phylogenetic analysis, the isolates belonged to the genus Rhizobium, with Rhizobium ( = Agrobacterium) radiobacter LMG 140(T) as the closest relative, with 96.5 % sequence similarity. Phylogenetic analysis of the representative strain DN316(T) using sequences of the glnA, thrC and recA genes and the 16S-23S intergenic spacer region confirmed the phylogenetic arrangement obtained from analysis of the 16S rRNA gene. DNA-DNA relatedness between DN316(T) and R. radiobacter LMG 140(T) was 43.7 %, clearly indicating that the representative strain DN316(T) represents a novel species. Phenotypic and biochemical characterization of the isolates and insertion sequence-PCR fingerprinting patterns showed several distinctive features that differentiated them from closely related species. The major components of the cellular fatty acids were C(18 : 1)ω7c (57.10 %), C(16 : 0) (11.31 %) and C(19 : 0) cyclo ω8c (10.13 %). Based on our taxonomic analysis, the three isolates from activated sludge represent a novel species of the genus Rhizobium, for which the name Rhizobium borbori sp. nov. is proposed. The type strain is DN316(T) ( = CICC 10378(T)  = LMG 23925(T)).

  16. A novel and complete gene cluster involved in the degradation of aniline by Delftia sp.AN3

    Institute of Scientific and Technical Information of China (English)

    ZHANG Tao; ZHANG Jinglei; LIU Shuangjiang; LIU Zhipei

    2008-01-01

    A recombinant strain, Escherichia coli JM109-AN1,was obtained by constructing of a genomic library of the total DNA of Delftia sp.AN3 in E. coli JM109 and screening for catechol 2,3-dioxygenase activity.This recombinant strain could grow on aniline as sole carbou,nitrogen and energy source.Enzymatic assays revealed that the exogenous genes including aniline dioxygenase (AD) and catechol 2,3-dioxygenase (C23O) genes could well express in the recombinant strain with the activities of AD and C23O up to O.31 U/mg wet cell and 1.92 U/mg crude proteins.respectively.The AD or C23O of strain AN3 could only catalyze aniline or catechol but not any other substituted substrates.This recombinant strain contained a recombinant plasmid,pKC505-AN1,in which a 29.7-kb DNA fragment from Delftia sp.AN3 was inserted.Sequencing and open reading frame (orfs) analysis of this 29.7 kb fragment revealed that it contained at least 27 orfs,among them a gene cluster (consisting of at least 16 genes,named danQTAlA2BRDCEFGlHIJKG2) was responsible for the complete metabolism of aniline to TCA-cycle intermediates.This gene cluster could be divided into two main parts,the upper sequences consisted of 7 genes (danQTAlA2BRD) were predicted to encode a multi-component aniline dioxygenase and a LysR-type regulator, and the central genes (danCEFGIHIJKG2) were expected to encode meta-cleavage pathway enzymes for catechol degradation to TCA-cycle intermediates.Unlike clusters tad from Delftia tsuruhatensis AD9 and tdn from Pseudomonas put/da UCC22,in this gene cluster,all the genes were in the Same transcriptional direction.There was only one set of C23O gene (danC) and ferredoxin-like protein gene fdanD).The presence of only one set of these two genes and specificity of AD and C23O might be the reason for strain AN3 could only degrade aniline.The products ofdanQTA1A2BRDC showed 99%-100% identity to those from Delflia acidovorans 7N.and 50%-85% identity to those of tad cluster from D.tsuruhatensis AD9 in

  17. The use of Trametes versicolor laccase for the polymerization of aniline in the presence of vesicles as templates.

    Science.gov (United States)

    Junker, Katja; Kissner, Reinhard; Rakvin, Boris; Guo, Zengwei; Willeke, Martin; Busato, Stephan; Weber, Thomas; Walde, Peter

    2014-02-01

    The enzymatic polymerization of aniline to polyaniline (PANI) with Trametes versicolor laccase (TvL) as catalyst and dioxygen (O₂) as oxidant was investigated in an aqueous medium containing unilamellar vesicles with an average diameter of about 80 nm formed from AOT (=sodium bis(2-ethylhexyl) sulfosuccinate). Compared to the same reaction carried out with horseradish peroxidase isoenzyme C (HRPC) as catalyst and hydrogen peroxide (H₂O₂) as oxidant, notable differences were found in the kinetics of the reaction, as well as in the characteristics of the PANI obtained. Under comparable optimal conditions, which are pH 3.5 for TvL/O₂ and pH 4.3 for HRPC/H₂O₂, the reaction with TvL/O₂ was much slower than with HRPC/H₂O₂, i.e. ≈27 days vs. 1 day reaction time to reach equilibrium with >90% yield at 25 °C. Although in both cases, aniline monomer coupling occurred mainly via the carbon atom in para position of aniline, UV-vis-NIR absorption and EPR measurements indicate that the reaction with TvL/O₂ yielded mainly overoxidized products (with λ(max)=730 nm). These products had a lower amount of unpaired electrons if compared with the products obtained with HRPC/H₂O₂ (with λ(max)≈1000 nm, which is characteristic for the polaron state of PANI-ES, the emeraldine salt form of PANI). Similarly to previous findings with HRPC/H₂O₂, enzyme inactivation occurred during the polymerization also in the case of TvL/O₂. Since the aqueous PANI-vesicle suspensions obtained are of high colloidal stability, they can be used directly as ink in a conventional thermal inkjet printer for printing on paper or on surface treated polyimide films. Printed PANI-ES patterns on paper changed colour from green (emeraldine salt) to blue (emeraldine base) upon exposure to ammonia gas, demonstrating the expected ammonia sensing properties.

  18. Transition metal doped poly(aniline-co-pyrrole)/multi-walled carbon nanotubes nanocomposite for high performance supercapacitor electrode materials

    Energy Technology Data Exchange (ETDEWEB)

    Dhibar, Saptarshi; Bhattacharya, Pallab; Hatui, Goutam; Das, C.K., E-mail: chapal12@yahoo.co.in

    2015-03-15

    Highlights: • The CuCl{sub 2} doped copolymer (PANI and PPy)/MWCNTs nanocomposite was prepared. • The nanocomposite achieved highest specific capacitance of 383 F/g at a 0.5 A/g. • Nanocomposite exhibits better energy density as well as power density. • The nanocomposite also showed better electrical conductivity at room temperature. • The nanocomposite can be used as promising electrode materials for supercapacitor. - Abstract: In this present communication, copolymer of polyaniline (PANI) and polypyrrole (PPy) that is poly(aniline-co-pyrrole) [poly(An-co-Py)], copper chloride (CuCl{sub 2}) doped poly(aniline-co-pyrrole) [poly(An-co-Py) Cu], and CuCl{sub 2} doped poly(aniline-co-pyrrole)/multi walled carbon nanotubes (MWCNTs) [poly(An-co-Py) Cu CNT] nanocomposite have been prepared by a simple and inexpensive in-situ chemical oxidative polymerization method, using ammonium persulfate (APS) as oxidant and hydrochloric acid (HCl) as dopant and investigated as high performance supercapacitor electrode materials. The possible interaction between CuCl{sub 2} with copolymers and MWCNTs was investigated by Fourier transform infrared spectroscopy (FTIR) and UV–visible spectroscopy analysis. The morphological characteristic of all the electrode materials were analyzed by Field emission scanning electron microscopy (FESEM) and Transmission electron microscopy (TEM) study. The electrochemical characterizations of all the electrode materials were carried out by three electrode probe method where, standard calomel electrode and platinum were used as reference and counter electrodes, respectively. Among all the electrode materials, poly(An-co-Py) Cu CNT nanocomposite achieved highest specific capacitance value of 383 F/g at 0.5 A/g scan rate. The nanocomposite showed better electrical conductivity at room temperature and also attained nonlinear current–voltage characteristic. Based on the superior electrochemical as well as other properties the as prepared

  19. Thermal desorption-gas chromatography for the determination of benzene, aniline, nitrobenzene and chlorobenzene in workplace air.

    Science.gov (United States)

    Patil, S F; Lonkar, S T

    1992-05-29

    Sampling on Tenax TA of different mesh sizes followed by thermal desorption and gas chromatography was evaluated as a simple method for the determination of benzene, aniline, nitrobenzene and chlorobenzene in the workplace air. An alternative sampling technique in place of pump sampling was developed. Quantitative recoveries were obtained in the mass range 0.04-10 micrograms. It was found that air humidity had no effect on recovery. The charged tubes can be stored at room temperature for 5 days with no change in recovery. The particle size of Tenax TA has no significant effect on adsorption and desorption.

  20. Kinetic investigation of the oxidation of N-alkyl anilines by peroxomonophosphoric acid in anionic surfactant sodium lauryl sulphate

    Indian Academy of Sciences (India)

    G P Panigrahi; Jagannath Panda

    2000-12-01

    Kinetics of oxidation of N-methyl and N-ethyl aniline by peroxomono-phosphoric acid (PMPA) in aqueous and 5% (v/v) acetonitrile medium respectively have been studied in presence of anionic micelles of sodium lauryl sulphate (SLS) at different H. Oxidation rate of both the substrates increases up to a certain [SLS] much below the critical micellar concentration (cmc) after which the rate is retarded. Kinetic data have been used to compute the binding constants of both substrate and oxidant with the micelle. A scheme explaining the kinetic data has been proposed.

  1. Treatment of aniline by catalytic wet air oxidation: comparative study over CuO/CeO2 and NiO/Al2O3.

    Science.gov (United States)

    Ersöz, Gülin; Atalay, Süheyda

    2012-12-30

    The treatment of aniline by catalytic wet air oxidation (CWAO) was studied in a bubble reactor. The experiments were performed to investigate the effects of catalyst loading, temperature, reaction time, air flow rate, and pressure on aniline removal. The catalytic effects of the prepared nanostructured catalysts, CuO/CeO(2) (10% wt) and NiO/Al(2)O(3) (10% wt), on the CWAO treatment efficiency were also examined and compared. The prepared catalysts seem to be active having an aniline removal of 45.7% with CuO/CeO(2) and 41.9% with NiO/Al(2)O(3). The amount of N(2) formed was approximately the same for both of the catalysts.

  2. Électropolymérisation de l'aniline en milieu neutre : application au dépôt de polyaniline sur acier doux

    Science.gov (United States)

    Camalet, J. L.; Lacroix, J. C.; Aeiyach, S.; Lacaze, P. C.

    1998-06-01

    The use of perchlorate ions allowed to carry out the aniline electropolymerization on Pt and mild steel in neutral aqueous medium and yield conducting, homogenoeus and adhering polyaniline films. Their structure, studied by IR, SEC and MS-MALDI, was characterized by a low degree of polymerization (DP ≈ 9) and a linear structure with chain coupling in 1,4 position of aniline rings. L'utilisation de l'ion perchlorate permet de réaliser l'électropolymé risation de l'aniline sur électrode de Pt et d'acier doux en milieu aqueux neutre (pH = 7). Des films conducteurs, homogènes et adhérents aux substrats sont obtenus. L'analyse par IR, CES et MS-MALDI, révèle un faible degré de polymérisation (DP ≈ 9) et des couplages essentiellement 1-4 des noyaux aromatiques.

  3. Study of the poly-aniline complexed with Li Cl O{sub 4} by Lithium-7 NMR; Estudo da polianilina complexada com Li Cl O{sub 4} por RMN do {sup 7} Li

    Energy Technology Data Exchange (ETDEWEB)

    Giotto, M.V.; Bonagamba, T.J.; Panepucci, H. [Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. de Fisica e Quimica; Mattoso, L.H.C.; Valenciano, G.R. [EMBRAPA, Sao Carlos, SP (Brazil). CNPDIA

    1997-12-31

    This work presents the chemical structure study of poly-aniline. The chemical preparation of the samples is presented. Also studied are the electric conductivity of the complexes of poly-aniline with Lithium. The samples were analysed by NMR. The spectra are presented 3 refs., 11 figs., 3 tabs.

  4. [Development of novel methods for synthesis of heterocyclic compounds catalyzed by transition metals in fluorinated alcohols].

    Science.gov (United States)

    Saito, Akio

    2008-08-01

    New possibilities for catalytic syntheses of lactone derivatives and nitrogen-containing heterocyclic compounds in fluorinated alcohols are described. The cationic Rh(I) catalyst in fluorinated alcohol solvents (hexafluoroisopropanol: HFIP, trifluoroethanol: TFE) brought about not only mild cycloaddition reactions of ester-tethered compounds but also a facile formation of indole derivatives by the aromatic amino-Claisen rearrangement of N-propargyl aniline derivatives. The use of HFIP as an additive exerted a remarkable effect on the Pictet-Spengler reaction catalyzed by the fluorinated surfactant-combined Brønsted acid catalyst in water.

  5. Kinetic study on electrochemical oxidation of catechols in the presence of cycloheptylamine and aniline: Experiments and digital simulation

    Indian Academy of Sciences (India)

    DAVOOD NEMATOLLAHI; FATEMEH GHASEMI; SADEGH KHAZALPOUR; FAHIMEH VARMAGHANI

    2016-12-01

    Oxidative coupling reaction of some catechols has been studied by cyclic voltammetry at the glassy carbon electrode in different experimental conditions. The electrogenerated o-banzoquinone participates in a coupling reaction with anionic and dianionic forms of catechol. Based on EC mechanism, the observed homogenous rate constants of the coupling reaction of catechols were estimated by analyzing the cyclic voltammetric responses using the simulation software DIGIELCH. This paper deals with reaction of o-benzoquinones derived by the oxidation of catechol (CAT), 3-methylcatechol (3-MC), 3-methoxycatechol(3-MOC) and 3,4-dihydroxybenzoic acid (3,4-DHBA) with cycloheptylamine (a primary aliphatic amine) and aniline (a primary aromatic amine) as nucleophiles to gain mechanistic insight. The outcome indicates participation of o-benzoquinone in the Michael addition reaction with the studied primary amines. The best fit of theexperimental and simulated results was obtained for ECE mechanism. The calculated/estimated homogeneous rate constants (kobs) for Michael addition reaction were found to vary in the order CAT>3-MC>3-MOC>3,4- DHBA and CAT>3,4-DHBA>3-MC>3-MOC for cycloheptylamine and aniline, respectively. These data are in agreement with the trend of electronic properties (electron-donating/-withdrawing) of the substitutions on the catechol ring.

  6. A facile synthesis of poly(aniline-co-o-bromoaniline) copolymer: Characterization and application as semiconducting material

    Science.gov (United States)

    Mahudeswaran, A.; Vivekanandan, J.; Vijayanand, P. S.; Kojima, T.; Kato, S.

    2016-01-01

    Poly(aniline-co-o-bromoaniline) (p(an-co-o-BrAn)) copolymer has been synthesized using chemical oxidation method in the hydrochloric acid medium. Copolymerization of aniline with o-bromoaniline of different compositions, such as 1:1, 1:2, 2:1, 1:3 and 3:1 molar ratios were prepared. The synthesized copolymer is soluble in polar solvents like dimethyl sulphoxide (DMSO), dimethyl formamide (DMF), Tetrahydrofuran (THF) and 1-methyl 2-pyrrolidone (NMP). The copolymer is analyzed by various characterization techniques, such as FTIR, UV-Visible (UV-Vis) spectroscopy, X-ray diffraction (XRD), conductivity, Differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). FTIR spectrum confirms the characteristic peaks of the copolymer containing benzenoid and quinoid ring stretching. UV spectrum reveals the formation of π-π∗ transition and n-π∗ transition between the energy levels. XRD peaks reveal that the copolymer possesses amorphous nature. Morphological study reveals that the agglomerated particles form globular structure and size of the each particle is about 100 nm. The electrical conductivity of the copolymers is found in the range of 10-5Scm-1. These organic semiconductor materials can be used to fabricate thinner and cheaper environmental friendly optoelectronic devices that will replace the conventional inorganic semiconductors.

  7. Kinetics of rapid covalent bond formation of aniline with humic acid: ESR investigations with nitroxide spin labels

    Science.gov (United States)

    Glinka, Kevin; Matthies, Michael; Theiling, Marius; Hideg, Kalman; Steinhoff, Heinz-Jürgen

    2016-04-01

    Sulfonamide antibiotics used in livestock farming are distributed to farmland by application of slurry as fertilizer. Previous work suggests rapid covalent binding of the aniline moiety to humic acids found in soil. In the current work, kinetics of this binding were measured in X-band EPR spectroscopy by incubating Leonardite humic acid (LHA) with a paramagnetic aniline spin label (anilino-NO (2,5,5-Trimethyl-2-(3-aminophenyl)pyrrolidin-1-oxyl)). Binding was detected by a pronounced broadening of the spectral lines after incubation of LHA with anilino-NO. The time evolution of the amplitude of this feature was used for determining the reaction kinetics. Single- and double-exponential models were fitted to the data obtained for modelling one or two first-order reactions. Reaction rates of 0.16 min-1 and 0.012 min-1, were found respectively. Addition of laccase peroxidase did not change the kinetics but significantly enhanced the reacting fraction of anilino-NO. This EPR-based method provides a technically simple and effective method for following rapid binding processes of a xenobiotic substance to humic acids.

  8. Preparation of aniline from photocatalytic reduction of nitrobenzene using Pt/Nd{sub 2}O{sub 3} nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, R.M., E-mail: mhmdouf@gmail.com

    2015-11-05

    In this manuscript, a template method was used to synthesis Pt-doped Nd{sub 2}O{sub 3} nanostructures with controlled Pt doping contents. The characterizations illustrated that the obtained samples have ultra high surface area (190 m{sup 2}/g), high crystallinity, small grain size (20 nm) and hollow spherical like morphology. Also, the band gap of the Pt-doped Nd{sub 2}O{sub 3} nanostructures can be controlled by controlling the Pt contents. The photocatalytic activity of the Pt-doped Nd{sub 2}O{sub 3} nanostructures samples was studied by studying the reduction of nitrobenzene into aniline using visible light irradiation. The photocatalytic performance of Nd{sub 2}O{sub 3} was enhanced by Pt doping. This can be attributed to the fact that the trapping effect of the Pt-doped Nd{sub 2}O{sub 3} nanostructures and the red shift of absorption edge. The study result provides an effective method to create different photocatalysts with enhanced visible-light-driven photocatalytic performance. - Highlights: • Pt-doped Nd{sub 2}O{sub 3} hollow sphere was prepared by a template method. • Photocatalytic preparation of aniline under visible light was dependent on wt % of Pt. • Catalyst re-use revealed the present photocatalyst remain effective and active after five cycles.

  9. Aniline-containing guests recognized by α,α’,δ,δ’-tetramethyl-cucurbit[6]uril host

    Science.gov (United States)

    Lin, Rui-Lian; Fang, Guo-Sheng; Sun, Wen-Qi; Liu, Jing-Xin

    2016-12-01

    The host-guest complexation of symmetrical α,α’,δ,δ’-tetramethyl-cucurbit[6]uril (TMeQ[6]) and cucurbit[7]uril (Q[7]) with a series of aniline-containing guests has been investigated by various experimental techniques including NMR, ITC, and X-ray crystallography. Experimental results indicate that both TMeQ[6] and Q[7] hosts can encapsulate aniline-containing guests to form stable inclusion complexes. However, the oval cavity of TMeQ[6] is more complementary in size and shape to the aromatic ring of the guests than the spherical cavity of Q[7]. Shielding and deshielding effects of the aromatic ring on guests lead to the remarkable chemical shifts of the TMeQ[6] host protons. The rotational restriction of the guests in the oval cavity of TMeQ[6] results in the large negative values of entropy. The X-ray crystal structure of the 1:1 inclusion complex between TMeQ[6] and N,N‧-diethyl-benzene-1,4-diamine unambiguously reveals that the aromatic ring of the guest resides in the oval cavity of TMeQ[6].

  10. Electrocatalytic Activity and Electrochemical Impedance Spectroscopy of Poly(Aniline-Co-Ortho-Phenylenediamine Modified Electrode on Ascorbic Acid

    Directory of Open Access Journals (Sweden)

    Ali Parsa

    2016-08-01

    Full Text Available The poly(aniline-co-ortho-phenylenediamine modified composite graphite (poly(Ani–co–oPDA/CG has shown excellent electrocatalytic response towards the oxidation of ascorbic acid (AA. The anodic peak potential (Epa of AA has shifted from +0.48 V (bare CG to +0.17 V (poly(Ani–co–oPDA/CG. The anodic peak currents (Ipa are linearly dependent upon the square root of scan rate indicating a favourable diffusion controlled process. The electro oxidation of AA on poly(Ani–co–oPDA/CG is more feasible in acidic medium than in either neutral or alkaline medium. This is shown by negative shift of Epa. The charge transfer resistance (Rct at the poly(Ani–co–oPDA/CG shows that the rate of the electro oxidation of AA changes with electrode potential. The Rct and diffusion process are dependant not only on applied potential and electrode material but also on the AA. The poly(aniline-co-ortho-phenylenediamine modified composite graphite (CG electrode has shown excellent electrocatalytic response towards the oxidation of ascorbic acid (AA. Charge transfer resistance (Rct at the poly(Ani–co–oPDA/CG shows that the rate of the electro oxidation of AA changes with electrode potential.

  11. [Spectrophotometric determination of aromatic amino compounds with J-acid].

    Science.gov (United States)

    Yin, Xiao-hang; Shi, Wen-jian; Shen, Xin; Ma, Jun-tao; Li, Liang

    2015-01-01

    The problems such as chromogenic reaction selectivity, reaction rate, sensitivity and water-solubility of azo compounds were considered. The molecular structures of coupling components were theoretically designed and screened in the present research The reaction conditions and methods of chromogenic reaction were investigated. J-Acid (2-amino-5-naphthol-7-sulfonic acid) as a coupling reagent to determine aromatic amino compounds was established. In the presence of potassium bromide, at room temperature, nitrite reacted with aromatic amino compounds in the medium of thin hydrochloric acid. Then diazonium salt reacted with J-Acid in the aqueous solution of sodium carbonate, forming coloured azo dye, which had a maximum adsorption at 480 nm. The molar adsorption coeffcients of aniline, 4-aminobenzene sulfonic acid and 1-naphthylamine were 3. 95 X 10(4), 3. 24 X 10(4) and 3. 91 X 10(4) L . mol-1 . cm-1 , respectively. Experimental results showed that common coexisting ions on the surface water did not affect the results of determination. J-Acid of spectrophotometry was used to determine the samples of Shanghai Fu Xing Dao canal. Meanwhile, recovery experiments by standard addition method were done. Experiment results showed that the recoveries of aniline were in the range of 98. 5%-102. 1%, and RSD was 2. 08%. J-Acid is a common organic reagent. It is soluble in water and low volatile, and its toxicity is much lower than N-ethylenediamine. spectrophotometric determination of aromatic amino compounds by J-Acid has the advantage of high sensitivity, good selectivity, simple rapid operation and accurate results, and thus it can be used for the determination of trace aromatic amino compounds in the environmental water.

  12. Determination of Anilines in Water Samplse by Ultrasound-Assisted Ionic Liquid Dispersive Liquid-liquid micro-extraction combined with high performance liquid chromatography%超声辅助离子液体-分散液液微萃取-高效液相色谱法测定水中苯胺类化合物

    Institute of Scientific and Technical Information of China (English)

    马莹; 张奇; 李媛; 张海霞

    2016-01-01

    本研究建立了超声辅助离子液体-分散液液微萃取-高效液相色谱测定环境水样中苯胺( AN)、对氟苯胺(4-FA)、对硝基苯胺(4-NA)、对氯苯胺(4-CA)四种苯胺化合物的方法。以最常用的烷基咪唑六氟磷酸盐类离子液体为萃取剂,通过超声加速萃取剂的分散程度,提高了萃取效率。该方法的检测限达到0.1~73 ng/ml,对黄河水和自来水中的加标回收率均在90.5%~113%之间,回收效果良好。与传统的液液萃取相比,该萃取方法具有绿色、快速、富集效果好、有机溶剂消耗小的优点,可以满足环境水体中苯胺类化合物的测定。%Ultrasound-assisted ionic liquid dispersive liquid -liquid microextraction combined with high performance liquid chromatography ( HPLC) method for preconcentration and determination of trace amounts of anilines in water samples was es -tablished .1-butyl-3-methylmidazolium hexafluoro -phosphate ( [ C4 MIM] [PF 6 ] ) is selected because it can simultane-ously extract aniline compounds from water .The limits of detection is in the range of 0.1~73 ng/ml.The developed method showed high relative recoveries for Aniline (AN),4-Fluoroaniline (4-FA),4-Nitroaniline (4-NA),4-Chloroaniline (4-CA) at different concentrations from 90.5%to 113%,which ensured the accuracy of method using to detect the amount of anilines in environmental water samples .

  13. Synthesis and Properties of Fe3O4-Activated Carbon Magnetic Nanoparticles for Removal of Aniline from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Studies

    Directory of Open Access Journals (Sweden)

    Babak Kakavandi

    2013-02-01

    Full Text Available In this study, powder activated carbon (PAC and magnetic nanoparticles of iron (III oxide were used for synthesis of Fe3O4-activated carbon magnetic nanoparticles (AC-Fe3O4 MNPs as an adsorbent for the removal of aniline. The characteristics of adsorbent were evaluated by SEM, TEM, XRD and BET. Also, the impact of different parameters such as pH, contact time, adsorbent dosage, aniline initials concentration and solution temperature were studied. The experimental data investigated by Langmuir and Freundlich adsorption isotherms and two models kinetically of pseudo first-order and pseudo second-order. The results indicated that the adsorption followed Langmuir and pseudo second-order models with correlation r2 > 0.98 and r2 > 0.99, respectively. The equilibrium time was obtained after 5 h. According to Langmuir model, the maximum adsorption capacity was 90.91 mg/g at pH = 6, and 20°C. The thermodynamic parameters indicated that adsorption of aniline on magnetic activated carbon was exothermic and spontaneous. This synthesized AC-Fe3O4 MNPs due to have advantages such as easy and rapid separation from solution could be applied as an adsorbent effective for removal of pollutants such as aniline from water and wastewater

  14. Synthesis and properties of Fe3O4-activated carbon magnetic nanoparticles for removal of aniline from aqueous solution: equilibrium, kinetic and thermodynamic studies.

    Science.gov (United States)

    Kakavandi, Babak; Jonidi, Ahmad; Rezaei, Roshanak; Nasseri, Simin; Ameri, Ahmad; Esrafily, Ali

    2013-01-01

    In this study, powder activated carbon (PAC) and magnetic nanoparticles of iron (III) oxide were used for synthesis of Fe3O4-activated carbon magnetic nanoparticles (AC-Fe3O4 MNPs) as an adsorbent for the removal of aniline. The characteristics of adsorbent were evaluated by SEM, TEM, XRD and BET. Also, the impact of different parameters such as pH, contact time, adsorbent dosage, aniline initials concentration and solution temperature were studied. The experimental data investigated by Langmuir and Freundlich adsorption isotherms and two models kinetically of pseudo first-order and pseudo second-order. The results indicated that the adsorption followed Langmuir and pseudo second-order models with correlation r(2) > 0.98 and r(2) > 0.99, respectively. The equilibrium time was obtained after 5 h. According to Langmuir model, the maximum adsorption capacity was 90.91 mg/g at pH = 6, and 20°C. The thermodynamic parameters indicated that adsorption of aniline on magnetic activated carbon was exothermic and spontaneous. This synthesized AC-Fe3O4 MNPs due to have advantages such as easy and rapid separation from solution could be applied as an adsorbent effective for removal of pollutants such as aniline from water and wastewater.

  15. Evaluation of Pharmaceutical Quality of Mesalamine Delayed Release Tablets Using a New High Sensitivity Reversed-Phase UPLC Method for its Genotoxic/Aniline Impurity

    Directory of Open Access Journals (Sweden)

    Rakshit Kanubhai Trivedi

    2011-01-01

    Full Text Available A reversed phase ultra performance liquid chromatography (UPLC method was developed and validated for the quantification of aniline in mesalamine delayed-release tablets. The optimization of the experimental condition was carried out considering some important requirements like, detection limit, short run time and reproducibility. In the present study, isocratic reversed-phase UPLC method was developed for determination and separation of aniline from the drug product. The drug and impurity are well separated by using a reversed phase (Reprosil Gold C18-XBD column and mobile phase comprising of buffer pH 6.0 and acetonitrile in the ratio of 90:10 v/v. Other UPLC parameters which were optimised are flow rate, 0.5 mL/min; detection wavelength, 200 nm; column oven temperature, 50 °C and injection volume 7 µL. Stability indicating capability was also established by forced degradation experiments. The method was validated as per ICH guideline. LOQ (limit of quantification concentration (18 ng/mL was found precise with RSD of less than 2%. In essence, the present study provides an improved low detection limit and lower run time for evaluation of pharmaceutical quality of mesalamine delayed-release formulation. Moreover, the developed method was also successfully applied for quantification of aniline in mesalamine delayed-release formulation. The same method can also be used for determination of aniline from drug substances.

  16. A novel magnetic poly(aniline-naphthylamine)-based nanocomposite for micro solid phase extraction of rhodamine B

    Energy Technology Data Exchange (ETDEWEB)

    Bagheri, Habib, E-mail: bagheri@sharif.edu; Daliri, Rasoul; Roostaie, Ali

    2013-09-10

    Graphical abstract: -- Highlights: •A Fe{sub 3}O{sub 4}–aniline-naphthylamine nanocomposite was prepared via a simple route. •The magnetic nanocomposite was applied for isolation of RhB from water. •The nanocomposite applicability was compared with other pristine polymers. •The method was applied for the determination of RhB in different samples. -- Abstract: A novel Fe{sub 3}O{sub 4}–poly(aniline-naphthylamine)-based nanocomposite was synthesized by chemical oxidative polymerization process as a magnetic sorbent for micro solid phase extraction. The scanning electron microscopy images of the synthesized nanocomposite revealed that the copolymer posses a porous structure with diameters less than 50 nm. The extraction efficiency of this sorbent was examined by isolation of rhodamine B, a mutagenic and carcinogenic dye, from aquatic media in dispersion mode. Among different synthesized polymers, Fe{sub 3}O{sub 4}/poly(aniline-naphthylamine) nanocomposite showed a prominent efficiency. Parameters including the desorption solvent, amount of sorbent, desorption time, sample pH, ionic strength, extraction time and stirring rate were optimized. Under the optimum condition, a linear spiked calibration curve in the range of 0.35–5.00 μg L{sup −1} with R{sup 2} = 0.9991 was obtained. The limits of detection (3S{sub b}) and limits of quantification (10S{sub b}) of the method were 0.10 μg L{sup −1} and 0.35 μg L{sup −1} (n = 3), respectively. The relative standard deviation for water sample with 0.5 μg L{sup −1} of RhB was 4.2% (n = 5) and the absolute recovery was 92%. The method was applied for the determination of rhodamine B in dishwashing foam, dishwashing liquid, shampoo, pencil, matches tips and eye shadows samples and the relative recovery percentage were in the range of 94–99%.

  17. Determination of Aniline and Its Derivatives in Environmental Water by Capillary Electrophoresis with On-Line Concentration

    Directory of Open Access Journals (Sweden)

    Jianzhi Sun

    2012-06-01

    Full Text Available This paper describes a simple, sensitive and environmentally benign method for the direct determination of aniline and its derivatives in environmental water samples by capillary zone electrophoresis (CZE with field-enhanced sample injection. The parameters that influenced the enhancement and separation efficiencies were investigated. Surprisingly, under the optimized conditions, two linear ranges for the calibration plot, 1–50 ng/mL and 50–1000 ng/mL (R > 0.998, were obtained. The detection limit was in the range of 0.29–0.43 ng/mL. To eliminate the effect of the real sample matrix on the stacking efficiency, the standard addition method was applied to the analysis of water samples from local rivers.

  18. Dependence of (35)Cl NQR on hydrogen bonding and temperature in dichlorophenol-aniline charge transfer complexes.

    Science.gov (United States)

    Ramananda, D; Ramesh, K P; Uchil, J

    2007-10-01

    The hydrogen-bonded charge transfer complexes of aniline with pi-acceptors (or proton donors) such as 2,5-, 2,6-, 3,4- and 3,5-dichlorophenol were prepared. The (35)Cl nuclear quadrupole resonance (NQR) frequencies of these charge transfer complexes in the temperature range 77-300 K were measured to ascertain the existence or otherwise of a phase transition upon complex formation. Further, the NQR frequency and asymmetry parameter of the electric field gradient at the site of quadrupole nucleus were used to estimate the chemical bond parameters, namely ionic bond, double bond character of the carbon-chlorine(C--Cl) bond and the percentage charge transfer between the donor-acceptor components in charge transfer complexes. The effect of hydrogen bonding and temperature on the charge transfer process is analysed.

  19. Retention behavior of phenols, anilines, and alkylbenzenes in liquid chromatographic separations using subcritical water as the mobile phase.

    Science.gov (United States)

    Yang, Y; Jones, A D; Eaton, C D

    1999-09-01

    The unique characteristic of subcritical water is its widely tunable physical properties. For example, the polarity (measured by dielectric constant) of water is significantly decreased by raising water temperature. At temperatures of 200-250 °C (under moderate pressure to keep water in the liquid state), the polarity of pure water is similar to that of pure methanol or acetonitrile at ambient conditions. Therefore, pure subcritical water may be able to serve as the mobile phase for reversed-phase separations. To investigate the retention behavior in subcritical water separation, the retention factors of BTEX (benzene, toluene, ethylbenzene, and m-xylene), phenol, aniline, and their derivatives have been determined using subcritical water, methanol/water, and acetonitrile/water systems. Subcritical water separations were also performed using alumina, silica-bonded C18, and poly(styrene-divinylbenzene) columns to study the influence of the stationary phase on analyte retention under subcritical water conditions.

  20. Flow Injection Determination of Oxalate Based on Its Catalytic Effect on the Oxidation of p-Chloride Aniline by Dichromate

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    In a sulfuric acid medium, oxalate exhibits a strong catalytic effect on the oxidation of p-chloride aniline (ClBN) by dichromate, and the red oxidation product of ClBN has a maximum absorbancy at 520 nm. Based on this founding, a new FI method for determining oxalate was developed. A calibration curve of oxalate in the range of 0. 40-17.0 tg/mL was obtained. The detection limit was 0. 10 μg/mL. Sampling rate was 103-samples/h. The possible interference by the co-existing substances or ions was examined. This new method was applied to the determination of micro amounts of oxalate in real samples with satisfactory results.

  1. In situ UV-visible spectroelectrochemical studies on the copolymerization of diphenylamine with ortho-methoxy aniline

    Science.gov (United States)

    Santhosh, P.; Gopalan, A.; Vasudevan, T.

    2003-05-01

    UV-visible spectroelectrochemical studies on copolymerization of diphenylamine (DPA) with ortho-methoxy aniline (OMA) were carried out for different feed ratios of DPA and OMA using indium tin oxide (ITO)-coated glass as working electrode. The UV-visible spectra show clear dependencies on the molar feed composition of DPA or OMA used in electropolymerization. Derivative cyclic voltabsorptogram (DCVA) was deduced at the wavelengths corresponding to the absorption by the intermediate species and used to confirm the intermediates generated during the electropolymerization. The composition of DPA and OMA in the copolymer for the copolymers synthesized with different molar feed ratios of DPA and OMA was determined by UV-visible spectroscopy. Reactivity ratios of DPA and OMA were deduced by using Fineman-Ross and Kelen-Tudos methods and correlated with spectroelectrochemical results.

  2. Influence of Solvent on Reaction Path to Synthesis of Methyl N-Phenyl Carbamate from Aniline, CO2 and Methanol

    Institute of Scientific and Technical Information of China (English)

    安华良; 张丽丽; 苑保国; 赵新强; 王延吉

    2014-01-01

    Methyl N-phenyl carbamate (MPC), an important organic chemical, can be synthesized from aniline, CO2 and methanol. Catalyst Cu-Fe/ZrO2-SiO2 was first prepared and its catalytic performance for MPC synthesis was evaluated. Then the influence of solvent on the reaction path of MPC synthesis was investigated. It is found that the reaction intermediate is different with acetonitrile or methanol as a solvent. With acetonitrile as a solvent, the synthesis of MPC follows the reaction path with diphenyl urea as the intermediate, while with methanol as a solvent the reaction occurs via the reaction path with dimethyl carbonate as the intermediate. The catalytic mecha-nism of cooperative catalysis comprising metal sites, Lewis acid sites and Lewis base sites is proposed according to different reaction intermediates.

  3. Beyer's non-linearity parameter (B/A) in benzylidene aniline Schiff base liquid crystalline systems

    Energy Technology Data Exchange (ETDEWEB)

    Nagi Reddy, M.V.V. [Department of Physics, The Hindu College, Machilipatnam 521 001 (India); Pisipati, V.G.K.M., E-mail: venkata_pisipati@hotmail.co [Liquid Crystal Research Centre, Department of Electronics and Communication Engineering, Koneru Lakshmaiah University, Vaddeswaram 522 502 (India); Madhavi Latha, D. [Liquid Crystal Research Centre, Department of Electronics and Communication Engineering, Koneru Lakshmaiah University, Vaddeswaram 522 502 (India); Datta Prasad, P.V. [Department of Physics, The Hindu College, Machilipatnam 521 001 (India)

    2011-02-15

    The non-linearity parameter B/A is estimated for a number of liquid crystal materials of the type N-(p-n-alkoxy benzylidene)-p-n-alkyl anilines, popularly known as nO.m, where n and m are the aliphatic chains on either side of the rigid core, which can be varied from 1 to 18 to realize a number of LC materials with a variety LC phase variants. The B/A values are computed from both density and sound velocity data following standard relations reported in literature. This systematic study in a homologous series provides an opportunity to study how this parameter behaves with (1) either the alkoxy and/or alkyl chain number, (2) with the total chain number (n+m), (3) with increase in molecular weight and (4) whether the linear relations reported in literature either with {alpha}T [thermal expansion coefficient ({alpha}) and temperature (T)] and sound velocity (u) will hold good or not and if so to what extent. The results are discussed with the body of data available in literature on liquids, liquid mixtures and other LC materials. -- Research highlights: {yields} The Bayer's non-linearity parameter (B/A) is estimated for the first time for a number liquid crystal materials of the type N-(p-n-alkoxy benzylidene)-p-nalkyl anilines. {yields} The magnitude of B/A estimated from sound velocity data is higher compared to that estimated thermal expansion data. {yields} The B/A value decreases with increase in molecular weight with an even odd fashion and reaches a minimum value and saturates. {yields} These studies reveal that both the thermal expansion coefficient and sound velocity are the tools to estimate the non-linear parameter B/A in the case of liquid crystals.

  4. A Facile Method for the Synthesis of Oxoketene-N,S- and -N,N-acetals from Reactions of Amino Compounds

    Directory of Open Access Journals (Sweden)

    Annie Mathews

    2010-01-01

    Full Text Available 2-Aroyl-3,3-bis(alkylsulfanylacrylaldehydes reacted with various primary amines, namely, o-phenylenediamine, ethylenediamine, and anilines to produce functionalized oxoketene-N,S-acetals and N,N-acetals in good yields. Imidazolo derivatives synthesized with o-phenylenediamine and ethylenediamine containing a formyl group could act as valuable starting materials for a variety of substituted heterocyclic compounds.

  5. Synthesis and Crystal Structure of Tri(4-(3-hydroxy- 2-ethyl-4-pyridinone-1-yl)-aniline Condensation Salicylaldehydato) Monohydratotricopper(II) Dimethylformamide Monohydrate Solvate

    Institute of Scientific and Technical Information of China (English)

    路再生; 牛德仲; 屠树江; 陈久桐

    2003-01-01

    The title complex [Cu3L3(H2O)]@DMF(H2O (H2L = 4-(3-hydroxy-2-ethyl-4- pyridinone-1-yl)-aniline condensation salicylaldehyde) was obtained. The single-crystal X-ray study shows that it is a trinuclear compound [Cu3(C20H15N2O3)3(H2O)]@DMF@H2O. The coordi- nation sphere about each copper ion in the complex consists of two oxygen atoms from hydroxylpyridinone moiety of one ligand and one oxygen and one nitrogen atoms from salicyladehyde Schiff-base moiety of another ligand arranged in a slightly distorted square planar geometry. Among the three copper ions, one (Cu(2)) is coordinated by the other oxygen atom of water molecule on the fifth coordinate position to form a distorted square pyramid geometry. The crystal is of monoclinic, space group P21/c with a = 12.9202(5), b = 27.197(1), c = 17.0116(7)(A°),β= 100.588(1)°, V = 5875.9(4)(A°)3, Z = 4, C63H57N7O12Cu3, Mr = 1294.78, Dc = 1.464 g/cm3,μ= 1.146 mm-1, F(000) = 2668, R = 0.0784 and wR = 0.1546 for 6926 observed reflections with I > 2σ(I). The differences of coordinate bond lengths are observed between anhydrous and hydrous units: in the former unit, the average bond lengths are 1.978(A°)for Cu-N (azomethine), 1.883(A°) for Cu-O (phenolic) in Schiff-base moiety, 1.959(A°) for Cu-O (keto), and 1.919(A°) for Cu-O (hydroxy) in hydroxypyridinone moiety; while those in the latter are longer with the following corresponding values: 1.985(5), 1.908(5), 1.993(5) and 1.919(4)(A°), respectively. The Cu(2)-O (water) bond length is 2.375(6)(A°).

  6. (Z-2-Methoxy-N-[(5-nitrothiophen-2-ylmethylidene]aniline

    Directory of Open Access Journals (Sweden)

    Nihal Kan Kaynar

    2012-02-01

    Full Text Available The dihedral angle between the benzene and thiophene rings in the title compound, C12H10N2O3S, is 27.94 (13°. An intermolecular C—H...π interaction contributes to the stability of the crystal structure.

  7. Removal of aromatic amines from water by montmorillonite-(cerium or zirconium) phosphate crosslinked compounds

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez-Pradas, E.; Villafranca-Sanchez, M.; Urena-Amate, M.D. (Univ. of Almeria (Spain). Dept. of Inorganic Chemistry); Del Rey-Bueno, F.; Garcia-Rodriguez, A. (Univ. of Granada (Spain). Dept. of Inorganic Chemistry)

    To evaluate the potential use of two montmorillonite-(Ce or Zr) phosphate crosslinked compounds in removing organic pollutants such as aniline, p-toluidine, and p-acetylaniline from water, adsorption experiments were performed under conditions of varied temperature (288 and 308 K). Adsorption on the montmorillonite-Ce-phosphate compound was best described by a hyperbolic (H-type) isotherm, whereas for the montmorillonite-Zr-phosphate compound, S-type isotherms were obtained for p-toluidine and aniline and L-type for p-acetylaniline. Amines adsorption increases with increasing temperature on the cerium crosslinked material, while for the zirconium-crosslinked compound, adsorption decreases as temperature increases from 288 to 308 K, possibly due to a mainly physical process. Fourier-transform infrared (FTIR) spectroscopy indicated that at the pH generated by the adsorbents, the protonated species of these amines plays an important role in the adsorption process. X-ray diffraction analysis showed that the aromatic amines are intercalated into the adsorbents. For any given amine, the cerium-montmorillonite adsorbent shows a higher capacity of adsorption compared with zirconium-montmorillonite adsorbent, so it might be reasonably used in removing aromatic amines from water.

  8. 4-Isopropyl-2,6-bis(1-phenylethyl)aniline 1, an Analogue of KTH-13 Isolated from Cordyceps bassiana, Inhibits the NF-κB-Mediated Inflammatory Response

    Science.gov (United States)

    Yang, Woo Seok; Ratan, Zubair Ahmed; Kim, Gihyeon; Lee, Yunmi; Kim, Mi-Yeon; Kim, Jong-Hoon; Cho, Jae Youl

    2015-01-01

    The Cordyceps species has been a good source of compounds with anticancer and anti-inflammatory activities. Recently, we reported a novel compound (4-isopropyl-2,6-bis(1-phenylethyl)phenol, KTH-13) with anticancer activity isolated from Cordyceps bassiana and created several derivatives to increase its pharmacological activity. In this study, we tested one of the KTH-013 derivatives, 4-isopropyl-2,6-bis(1-phenylethyl)aniline 1 (KTH-13-AD1), with regard to anti-inflammatory activity under macrophage-mediated inflammatory conditions. KTH-13-AD1 clearly suppressed the production of nitric oxide (NO) and reactive oxygen species (ROS) in lipopolysaccharide (LPS) and sodium nitroprusside- (SNP-) treated macrophage-like cells (RAW264.7 cells). Similarly, this compound also reduced mRNA expression of inducible NO synthase (iNOS) and tumor necrosis factor-α (TNF-α), as analyzed by RT-PCR and real-time PCR. Interestingly, KTH-13-AD1 strongly diminished NF-κB-mediated luciferase activities and nuclear translocation of NF-κB family proteins. In accordance, KTH-13-AD1 suppressed the upstream signaling pathway of NF-κB activation, including IκBα, IKKα/β, AKT, p85/PI3K, and Src in a time- and dose-dependent manner. The autophosphorylation of Src and NF-κB observed during the overexpression of Src was also suppressed by KTH-13-AD1. These results strongly suggest that KTH-13-AD1 has strong anti-inflammatory features mediated by suppression of the Src/NF-κB regulatory loop. PMID:26819495

  9. Effects of single bond-ion and single bond-diradical form on the stretching vibration of Cdbnd N bridging bond in 4,4‧-disubstituted benzylidene anilines

    Science.gov (United States)

    Cao, Chao-Tun; Bi, Yakun; Cao, Chenzhong

    2016-06-01

    Fifty-seven samples of model compounds, 4,4‧-disubstituted benzylidene anilines, p-X-ArCH = NAr-p-Y were synthesized. Their infrared absorption spectra were recorded, and the stretching vibration frequencies νCdbnd N of the Cdbnd N bridging bond were determined. New stretching vibration mode was proposed by means of the analysis of the factors affecting νCdbnd N, that is there are mainly three modes in the stretching vibration of Cdbnd N bond: (I) polar double bond form Cdbnd N, (II) single bond-ion form C+-N- and (III) single bond-diradical form Crad -Nrad . The contributions of the forms (I) and (II) to the change of νCdbnd N can be quantified by using Hammett substituent constant (including substituent cross-interaction effects between X and Y groups), whereas the contribution of the form (III) can be quantified by employing the excited-state substituent constant. The most contribution of these three forms is the form (III), the next is the form (II), whose contribution difference was discussed with the viewpoint of energy requirements in vibration with the form (III) and form (II).

  10. Splenic fibrosis and sarcomas in F344 rats fed diets containing aniline hydrochloride, p-chloroaniline, azobenzene, o-toluidine hydrochloride, 4,4'-sulfonyldianiline, or D & C red No. 9.

    Science.gov (United States)

    Goodman, D G; Ward, J M; Reichardt, W D

    1984-07-01

    In six carcinogenicity bioassays, male and female F344 rats were fed diets containing aniline hydrochloride (CAS: 142-04-1; hydrochloride benzenamide), p-chloroaniline (CAS: 106-47-8), azobenzene (CAS: 103-33-3), o-toluidine hydrochloride (CAS: 636-21-5), dapsone (CAS: 80-08-0; 4,4'-sulfonyldianiline), or D & C red No. 9 [CAS: D85500000; 5-chloro-2-[2-hydroxy-1-naphthalenyl)azo)-4-methylbenzenesulfon ic acid, barium salt]. The rats, from 6 weeks to 2 years old, were given the compounds at two dose levels, the estimated maximum tolerated dose and one-half that dose. In all six bioassays, dose-dependent incidences of splenic sarcomas and fibrosis were seen, with the highest incidences in male rats. Fibrosis occurred in the splenic parenchyma and/or the capsule. Fatty infiltration also was seen in the spleen. Sarcomas appeared to arise in the splenic red pulp or splenic capsule, usually in association with areas of parenchymal and capsular fibrosis and pigmentation. Larger tumors metastasized to the peritoneal cavity and abdominal organs. In some rats there was marked osseous metaplasia when the primary tumor metastasized to peritoneal surfaces. Other, less common, splenic neoplasms included hemangiosarcoma and hemangiopericytoma. Some rats had such extensive peritoneal involvement that the site of origin of their sarcoma was difficult to determine.

  11. Polybenzimidazole compounds

    Science.gov (United States)

    Klaehn, John R.; Peterson, Eric S.; Wertsching, Alan K.; Orme, Christopher J.; Luther, Thomas A.; Jones, Michael G.

    2010-08-10

    A PBI compound that includes imidazole nitrogens, at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2--, where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least five equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about fifteen equivalents.

  12. N-(Diphenyl-vinyl-idene)-2,6-diisopropyl-aniline.

    Science.gov (United States)

    Imhof, Wolfgang

    2008-12-06

    The title compound, C(26)H(27)N, was prepared by the elimination of water from N-(2,6-diisopropyl-phen-yl)-2,2-diphenyl-acetamide. The angle at the central C atom of the cumulene measures 172.5 (4)°. Mol-ecules are connected into infinite chains by inter-molecular C-H⋯N inter-actions.

  13. (E-2,4,6-Trimethyl-N-[(1H-pyrrol-2-ylmethylidene]aniline

    Directory of Open Access Journals (Sweden)

    Wolfgang Imhof

    2013-01-01

    Full Text Available The title compound, C14H16N2, is a pyrrole-2-carbaldimine ligand that shows an E conformation at the imine double bond. The dihedral angle between the rings is 78.3 (1°. In the crystal, pairs of molecules form centrosymmetric dimers [graph-set descriptor is presumably R22(10] via N—H...N hydrogen bonds between the pyrrole N—H group and the imine N atom of a neighbouring molecule.

  14. Adsorption of aromatic compounds from the biodegradation of azo dyes on activated carbon

    Science.gov (United States)

    Faria, P. C. C.; Órfão, J. J. M.; Figueiredo, J. L.; Pereira, M. F. R.

    2008-03-01

    The adsorption of three selected aromatic compounds (aniline, sulfanilic acid and benzenesulfonic acid) on activated carbons with different surface chemical properties was investigated at different solution pH. A fairly basic commercial activated carbon was modified by means of chemical treatment with HNO 3, yielding an acid activated carbon. The textural properties of this sample were not significantly changed after the oxidation treatment. Equilibrium isotherms of the selected compounds on the mentioned samples were obtained and the results were discussed in relation to their surface chemistry. The influence of electrostatic and dispersive interactions involved in the uptake of the compounds studied was evaluated. The Freundlich model was used to fit the experimental data. Higher uptakes are attained when the compounds are present in their molecular form. In general, adsorption was disfavoured by the introduction of oxygen-containing groups on the surface of the activated carbon.

  15. Isotopic Constraints on the Sources and Associations of Organic Compounds in Marine Sediments

    Science.gov (United States)

    2006-02-01

    992. Peacock, E. E., Nelson, R. K., Solow , A. R., Warren, J. D., Baker, J. L., Reddy, C. M. 2005. The West Falmouth oil spill: 100 kg of oil found to...Protection Agency, Washington, DC, 1985. Peacock, E.E., Nelson, R.K., Solow , A.R., Warren, J.D., Baker, J.L., Reddy, C.M. 2005. The West Falmouth oil spill...towards OM, and it has been demonstrated in soils that phenolic and aniline compounds have the greatest tendency to form bound residues ( Roberts , 1984

  16. Determination of the solid surface critical exponent β1 from contact-angle variation on approach to a wetting transition: Cyclohexane/aniline/quartz

    Science.gov (United States)

    Pallas, Norman R.

    2016-03-01

    The three-phase contact angle (θ) for the system cyclohexane/aniline/quartz has been measured from drop shapes as a function of temperature on approach to the cyclohexane/aniline upper consolute solution temperature Tc. The experiments employed exacting criteria previously established for thermodynamic-quality measurements at fluid interfaces. A first-order wetting transition from partial wetting to complete wetting was observed at a temperature Tw, 2.12 K below Tc. The contact angle vanishes at Tw, scaling as cos θ ˜ |T - Tc|β1-μ for T system. These results are in marked contrast to previous measurements on this system from measurements of capillary rise and meniscus curvature.

  17. Effect of maleic anhydride-aniline derivative buffer layer on the properties of flexible substrate heterostructures: Indium tin oxide/nucleic acid base/metal

    Energy Technology Data Exchange (ETDEWEB)

    Stanculescu, A., E-mail: sanca@infim.ro [National Institute of Materials Physics, 105 bis Atomistilor Street, P.O. Box MG-7, 077125, Bucharest-Magurele (Romania); Socol, M. [National Institute of Materials Physics, 105 bis Atomistilor Street, P.O. Box MG-7, 077125, Bucharest-Magurele (Romania); Socol, G.; Mihailescu, I.N. [National Institute for Laser, Plasma and Radiation Physics, P.O. Box MG-36, 077125, Bucharest-Magurele (Romania); Girtan, M. [Laboratoire de Photonique d' Angers, Universite d' Angers, 2, Bd. Lavoisier, 49045, Angers (France); Preda, N. [National Institute of Materials Physics, 105 bis Atomistilor Street, P.O. Box MG-7, 077125, Bucharest-Magurele (Romania); Albu, A.-M. [Department of Polymer Science, University ' Politehnica' of Bucharest, Bucharest (Romania); Stanculescu, F. [University of Bucharest, Faculty of Physics, Str. Atomistilor nr.405, P.O. Box MG-11, Bucharest-Magurele, 077125 (Romania)

    2011-12-01

    This paper presents some investigations on the properties of guanine (G) and cytosine (C) based heterostructures deposited on flexible substrates. The effects of two types of maleic anhydride-aniline derivatives (maleic anhydride-cyano aniline or maleic anhydride-2,4 dinitroaniline) buffer layer, deposited between indium tin oxide and (G) or (C) layer, on the optical and electrical properties of the heterostructures have been identified. The heterostructures containing a film of maleic anhydride-2,4 dinitroaniline have shown a good transparency and low photoluminescence in visible range. This buffer layer has determined an increase in the conductance only in the heterostructures based on (G) and (C) deposited on biaxially-oriented polyethylene terephthalate substrate.

  18. A comparison of the ion chemistry for mono-substituted toluenes and anilines by three methods of atmospheric pressure ionization with ion mobility spectrometry.

    Science.gov (United States)

    Borsdorf, H; Neitsch, K; Eiceman, G A; Stone, J A

    2009-06-15

    Ion mobility spectra for a series of mono-substituted toluenes and a series of mono-substituted anilines were obtained using three different methods of atmospheric pressure ionization including photoionization, chemical ionization from a (63)Ni source, and chemical ionization from a corona discharge source. The product ion peak intensities were measured as functions of analyte concentration at 323 K in a purified air atmosphere. Two, and sometimes three, product ion peaks were observed in spectra from chemical ionization with the (63)Ni source and it is suggested that the major peak, due to the protonated molecule, arose in both series by proton transfer from H3O+(H2O)n. The second peak with diminished intensity and longer drift time than the protonated molecule can be seen with the toluenes and was understood to be the NO+ adduct, formed from the reactant ion NO+(H2O)n. Electron transfer from the anilines to the latter ion yields the molecular ions, identified by having the same reduced mobility coefficients as the molecular ions produced by photoionization. The structure of these product ions was determined by investigations using the coupling of ion mobility spectrometry with atmospheric pressure photoionization and mass spectrometry (APPI-IMS-MS). The relative abundances of both the NO+ adducts with the toluenes and the molecular ions with the anilines are enhanced with a corona discharge source where relatively more NO+(H2O)n is produced than in a (63)Ni source. Ab initio calculations show that only the protonated anilines of all the product ions are significantly hydrated with 1 ppm(v) of moisture in the supporting atmosphere of the ion mobility spectrometer.

  19. Mechanistic insights into acetophenone transfer hydrogenation catalyzed by half-sandwich ruthenium(II) complexes containing 2-(diphenylphosphanyl)aniline - a combined experimental and theoretical study

    NARCIS (Netherlands)

    A. Bacchi; M. Balordi; R. Cammi; L. Elviri; C. Pelizzi; F. Picchioni; V. Verdolino; K. Goubitz; R. Peschar; P. Pelagatti

    2008-01-01

    Several new half-sandwich ruthenium(II) complexes containing 2-(diphenyphosphanyl)aniline (PNH2) of formula {Ru[(kappa P-2,N)PNH2](p-cymene)Cl}Y [Y = Cl (1a), PF6 (1b), BF4 (1c), BPh4 (1d), TfO (1e)] were synthesized and fully characterized both in solution (H-1 NMR and P-31{H-1) NMR spectroscopy) a

  20. Copper(II), cobalt(II), nickel(II) and zinc(II) complexes of Schiff base derived from benzil-2,4-dinitrophenylhydrazone with aniline

    Indian Academy of Sciences (India)

    N Raman; S Ravichandran; C Thangaraja

    2004-06-01

    New Schiff base chelates of Cu(II), Co(II), Ni(II) and Zn(II) derived from benzil-2,4-dinitrophenylhydrazone with aniline have been synthesised. Microanalytical data, molar conductance, and magnetic susceptibility values have been obtained, and IR, 1H NMR, 13C NMR, UV-Vis, CV and EPR spectral studies have been carried out to suggest tentative structures for the complexes.

  1. Condensation Reaction of 5, 6-Dihydro-6-methyl-6-piperonyl-2H- pyran-2,4-dione, Ethyl Orthoformate and Substituted Anilines

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Piperonyl methyl ketone was obtained by oxidizing isosafrole with hydrogen peroxide and formic acid. Dianion of ethyl acetoacetate reacted with piperonyl methyl ketone and 5, 6-dihydro-6-methyl-6-piperonyl-2H-pyran-2, 4-dione was prepared, which reacted with substituted anilines in the presence of ethyl orthoformate to obtain 3-anilinomethylene-5, 6- dihydro- 6-methyl-6-piperonyl-2H-pyran-2, 4-diones. Their structures were confirmed by 1HNMR and elemental analysis.

  2. Electrochemical synthesis of novel polymer based on (4-(2,3-dihydrothieno[3,4-6][1,4][dioxin-5-yl) aniline) in aqueous solution: Characterization and application

    Energy Technology Data Exchange (ETDEWEB)

    Shahhosseini, Leyla [Chemistry Department, Kerman Branch, Islamic Azad University, Kerman (Iran, Islamic Republic of); Nateghi, Mohammad Reza, E-mail: mnateghi@iauyazd.ac.ir [Chemistry Department, Yazd Branch, Islamic Azad University, Yazd (Iran, Islamic Republic of); Kazemipour, Maryam [Chemistry Department, Kerman Branch, Islamic Azad University, Kerman (Iran, Islamic Republic of); Borhani Zarandi, Mahmoud [Department of Physics, Yazd University, P.O. Box 97175/615, Yazd (Iran, Islamic Republic of)

    2016-07-01

    4-(2,3-dihydrothieno[3,4-6][1,4][dioxin-5-yl) aniline, an interesting novel monomer was successfully synthesized in which α-carbon on ethylenedioxythiophene was linked to aniline at para position. The structure of the monomer was approved by infrared (IR), gas chromatography-mass spectrometry (GC-MS) and {sup 1}H nuclear magnetic resonance ({sup 1}H NMR) spectroscopies. Poly (4-(2,3-dihydrothieno[3,4-6][1,4][dioxin-5-yl) aniline) and its composite with graphene were electrochemically synthesized in aqueous solution by cyclic potential sweep method. The Polymer was characterized by IR and UV–vis spectroscopies, scanning electron microscopy, cyclic voltammetry, and electrochemical impedance spectroscopy techniques. Electrochemical synthesis conditions were optimized to prepare high conducting and porous polymer so it can be efficiently used as a counter electrode in fabrication of dye sensitized solar cells. Photovoltaic experiments revealed that energy conversion efficiency of the solar cell fabricated using polymer composite (7.52%) is 21% greater than that prepared by Pt counter electrode (6.19%). - Highlights: • A Novel monomer comprising aniline and EDOT was synthesized by a simple process. • Poly (ANI-EDOT) was synthesized and characterized by cyclic potential sweep method. • The copolymer changes from yellow at −0.9 V to dark green color at +0.9 V reversibly. • Poly (ANI-EDOT)/graphene is porous with electrocatalytic effect on I{sub 3}{sup −} reduction.

  3. 4-Fluoro-N-[(E-3,4,5-trimethoxybenzylidene]aniline

    Directory of Open Access Journals (Sweden)

    Jiban Podder

    2013-08-01

    Full Text Available The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258 (2 Å]. The central methoxy O atom deviates from the plane of the attached benzene ring by 0.0911 (14 Å. The dihedral angle between the aromatic rings is 47.58 (11°. The crystal structure features C—H...N and C—H...O interactions.

  4. (E-4-Chloro-N-[(E-2-methyl-3-phenylallylidene]aniline

    Directory of Open Access Journals (Sweden)

    Jim Simpson

    2009-02-01

    Full Text Available The title Schiff base compound, C16H14ClN, adopts E configurations with respect to both the C=C and C=N bonds. The dihedral angle between the two aromatic rings is 53.27 (4°, while the plane through the C=C—C=N system is inclined at 9.06 (8° to the benzene ring and 44.92 (5° to the chlorobenzene ring. In the crystal structure, weak C—H...Cl and C—H...N hydrogen bonds stack the molecules down the a axis.

  5. HYDROGENATION OF NITROBENZENE TO FORM ANILINE IN LIQUID PHASE AT ATMOSPHERIC PRESSURE

    Institute of Scientific and Technical Information of China (English)

    YINJingbo; ZhubanovK.A; 等

    2001-01-01

    Aromatic amine compounds and their derivatives are important intermediates of fine chemicals like dye and medicine.The former hydrogenation catalyst has many problems,such as environment pollution caused by old technology,strict reaction condtion,complicated equipment,bad property of catalyst and so on.Holy [1] firstly reported the hydrogenation of nitrobenzene on modified polystyrene Pd catalyst.But how to improve the activity,selectivity and stability of the polymer suppoorter catalyst needs to studyfurther.We prepared a series of polymer supported catalysts by the methods of adsorption and mechanical mixting ,selected a high active catalyst Pd-Ah-1 by observing the hydrogenation of nitrobenzene.

  6. HYDROGENATION OF NITROBENZENE TO FORM ANILINE IN LIQUID PHASE AT ATMOSPHERIC PRESSURE

    Institute of Scientific and Technical Information of China (English)

    YIN Jingbo; YANG Yana; Zhubanov K.A; Bizhanowa N.B

    2001-01-01

    Aromatic amine compounds and their derivatives are important intermediates of fine chemicals like dye and medicine. The former hydrogenation catalyst has many problems, such as environment pollution caused by old technology, strict reaction condition, complicated equipment,bad property of catalyst and so on. Holy [1] firstly reported the hydrogenation of nitrobenzene on modified polystyrene Pd catalyst. But how to improve the activity, selectivity and stability of the polymer supporter catalyst needs to studyfurther. We prepared a seriesof polymer supported catalysts by the methods of adsorption and mechanical mixting, selected a high active catalyst Pd-AH-1 by observing the hydrogenation of nitrobenzene.

  7. In-situ synthesis of SiO2@MOF composites for high-efficiency removal of aniline from aqueous solution

    Science.gov (United States)

    Han, Tongtong; Li, Caifeng; Guo, Xiangyu; Huang, Hongliang; Liu, Dahuan; Zhong, Chongli

    2016-12-01

    A series of SiO2@aluminum-MOF(MIL-68) composites with different SiO2 loadings have been synthesized by a simple and mild compositing strategy for high-efficiency removal of aniline. As evidenced from SEM and TEM images as well as the particle size distribution, the incorporation of SiO2 can improve the dispersity of MIL-68(Al) in composites, and result in the smaller particle size than that of pristine MIL-68(Al). Besides, the adsorption of aniline over SiO2, MIL-68(Al), the physical mixture of these two materials, and SiO2@MIL-68(Al) composites was investigated comparatively, demonstrating a relatively high adsorption capacity (531.9 mg g-1) of 7% SiO2@MIL-68(Al) towards aniline. Combining the ultrafast adsorption dynamics (reaching equilibrium within 40 s) and great reusability, 7% SiO2@MIL-68(Al) shows excellent adsorption performance. This indicates that the SiO2@MIL-68(Al) composites possess great potential applications as a kind of fascinating adsorbent in water pollution protection.

  8. Effect of the intercalated cation-exchanged on the properties of nanocomposites prepared by 2-aminobenzene sulfonic acid with aniline and montmorillonite

    Energy Technology Data Exchange (ETDEWEB)

    Toumi, I. [Laboratoire de Chimie Organique, Macromoleculaire et des Materiaux, Universite de Mascara, Bp 763 Mascara 29000 (Algeria); Benyoucef, A., E-mail: ghani29000@yahoo.fr [Laboratoire de Chimie Organique, Macromoleculaire et des Materiaux, Universite de Mascara, Bp 763 Mascara 29000 (Algeria); Yahiaoui, A. [Laboratoire de Chimie Organique, Macromoleculaire et des Materiaux, Universite de Mascara, Bp 763 Mascara 29000 (Algeria); Quijada, C. [Departamento de Ingenieria Textil y Papelera, Universidad Politecnica de Valencia, Pza Ferrandiz i Carbonel, E-03801 Alcoy, Alicante (Spain); Morallon, E. [Departamento de Quimica Fisica e Instituto Universitario de Materiales, Universidad de Alicante, Apartado 99, E-03080 Alicante (Spain)

    2013-02-25

    Polymer/montmorillonite nanocomposites were prepared. Intercalation of 2-aminobenzene sulfonic acid with aniline monomers into montmorillonite modified by cation was followed by subsequent oxidative polymerization of monomers in the interlayer spacing. The clay was prepared by cation exchange process between sodium cation in (M-Na) and copper cation (M-Cu). XRD analyses show the manifestation of a basal spacing (d-spacing) for M-Cu changes depending on the inorganic cation and the polymer intercalated in the M-Cu structure. TGA analyses reveal that polymer/M-Cu composites is less stable than M-Cu. The conductivity of the composites is found to be 10{sup 3} times higher than that for M-Cu. The microscopic examinations including TEM picture of the nanocomposite demonstrated an entirely different and more compatible morphology. Remarkable differences in the properties of the polymers have also been observed by UV-Vis and FTIR, suggesting that the polymer produced with presence of aniline has a higher degree of branching. The electrochemical behavior of the polymers extracted from the nanocomposites has been studied by cyclic voltammetry which indicates the electroactive effect of nanocomposite gradually increased with aniline in the polymer chain.

  9. Synthesis of diphenylamine from aniline- phenol by liquid phase condensation%苯胺—苯酚液相催化合成二苯胺

    Institute of Scientific and Technical Information of China (English)

    王新平; 罗财红; 贺民; 蔡天锡

    2000-01-01

    The synthesis of diphenylamine from aniline-phenol by liquid phase condensation in the presence of Pd/C catalyst was studied. The effects of organic promoter, catalyst amount, reaction temperature and time on the synthesis were investigated. In the conditions of cyclohexylamine: aniline: phenol was 0.2:1:1 (mole ratio), catalyst amount was 0.2% of total reactants(mass) ,at 523 K for 2 h ,the conversion of aniline and the selectivity of catalyst was 81% and 80% ,respectively.%研究了在Pd/C催化剂存在下,通过液/固催化缩合反应由苯胺和苯酚合成二苯胺的方法。考察了有机助剂、催化剂用量、反应温度、反应时间等因素对反应的影响。在n(环己胺):n(苯胺):n(苯酚)=0.2:1:1、催化剂用量为0.2%(ω)、反应温度523 K及反应时间为2 h的条件下,苯胺的转化率和苯胺生成二苯胺的选择性分别为81%和80%。

  10. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  11. Hybrid nanocomposite from aniline and CeO2 nanoparticles: Surface protective performance on mild steel in acidic environment

    Science.gov (United States)

    Sasikumar, Y.; Kumar, A. Madhan; Gasem, Zuhair M.; Ebenso, Eno E.

    2015-03-01

    This present work contributes to the development of a new generation of active corrosion inhibitors composed of CeO2 nanoparticles covered with polyaniline that are able to release entrapped nanoparticles in acidic medium. Nanocomposites of aniline and CeO2 nanoparticles have been chemically synthesized by in-situ polymerization. The structural evolutions and morphological characteristics of PANI/CeO2 nanocomposite (PCN) have performed using various techniques such as XRD, IR, XPS, SEM and TEM analysis. It was illustrated from SEM and TEM observation that the PCN has globular particle with core-shell structure. The inhibition properties of synthesized PCN on mild steel (MS) corrosion in 0.5 M HCl were estimated using weight loss and electrochemical techniques. Potentiodynamic polarization results revealed PCN to be a mixed-type inhibitor, while impedance results indicate the adsorption of the PCN film on the MS surface. The inhibition efficiency of PCN was found to increase almost linearly with concentration. Moreover, an increase in the water contact-angle with PCN indicated its adsorption at the MS surface, and ATR-IR, SEM/EDAX and AFM visualization confirmed the formation of a protective film adsorbed on a MS surface. Finally, it was concluded that the PCN is a potential inhibitor for mild steel in HCl medium.

  12. Inhibitive Effect of Hydrofluoric Acid Doped Poly Aniline (HFPANI on Corrosion of Iron in 1N Phosphoric Acid Solution

    Directory of Open Access Journals (Sweden)

    G.Maheswari

    2015-03-01

    Full Text Available The inhibition effect of Hydrofluoric acid doped poly aniline HF-PANI on mild steel corrosion in 1N phosphoric acid has been studied by mass loss and polarization techniques and AC impedance measurements methods between 303 K and 333K.The inhibition efficiency increased with increase in concentration of HF PANI. The corrosion rate increased with increase in temperature and decreased with increase in concentration of inhibitor compared to blank. Potentiostatic polarization results revealed that HF-PANI act as mixed type inhibitor. The inhibitor of HF-PANI was chemically adsorbed and spontaneous adsorption on the mild steel surface .The values of activation energy (Ea, free energy of adsorption (ΔGads, heat of adsorption (Qads, enthalpy of adsorption (ΔH and entropy of adsorption (ΔS were calculated. The adsorption of inhibitor on mild steel surface has been found to obey Temkin’s adsorption isotherm. SEM analysis was agreed to establish the mechanism of corrosion inhibitor on mild steel corrosion in phosphoric acid medium.

  13. ITO/Poly(Aniline/Sol-Gel Glass: An Optically Transparent, pH-Responsive Substrate for Supported Lipid Bilayers

    Directory of Open Access Journals (Sweden)

    Ahmed Al-Obeidi

    2013-01-01

    Full Text Available Described here is fabrication of a pH-sensitive, optically transparent transducer composed of a planar indium-tin oxide (ITO electrode overcoated with a poly(aniline (PANI thin film and a porous sol-gel layer. Adsorption of the PANI film renders the ITO electrode sensitive to pH, whereas the sol-gel spin-coated layer makes the upper surface compatible with fusion of phospholipid vesicles to form a planar supported lipid bilayer (PSLB. The response to changes in the pH of the buffer contacting the sol-gel/PANI/ITO electrode is pseudo-Nernstian with a slope of 52 mV/pH over a pH range of 4–9. Vesicle fusion forms a laterally continuous PSLB on the upper sol-gel surface that is fluid with a lateral lipid diffusion coefficient of 2.2 μm2/s measured by fluorescence recovery after photobleaching. Due to its lateral continuity and lack of defects, the PSLB blocks the pH response of the underlying electrode to changes in the pH of the overlying buffer. This architecture is simpler to fabricate than previously reported ITO electrodes derivatized for PSLB formation and should be useful for optical monitoring of proton transport across supported membranes derivatized with ionophores and ion channels.

  14. ITO/poly(aniline)/sol-gel glass: An optically transparent, pH-responsive substrate for supported lipid bilayers.

    Science.gov (United States)

    Al-Obeidi, Ahmed; Ge, Chenhao; Orosz, Kristina S; Saavedra, S Scott

    2013-01-01

    Described here is fabrication of a pH-sensitive, optically transparent transducer composed of a planar indium-tin oxide (ITO) electrode overcoated with a a poly(aniline) (PANI) thin film and a porous sol-gel layer. Adsorption of the PANI film renders the ITO electrode sensitive to pH, whereas the sol-gel spin-coated layer makes the upper surface compatible with fusion of phospholipid vesicles to form a planar supported lipid bilayer (PSLB). The response to changes in the pH of the buffer contacting the sol-gel/PANI/ITO electrode is pseudo-Nernstian with a slope of 52 mV/pH over a pH range of 4-9. Vesicle fusion forms a laterally continuous PSLB on the upper sol-gel surface that is fluid with a lateral lipid diffusion coefficient of 2.2 μm(2)/s measured by fluorescence recovery after photobleaching. Due to its lateral continuity and lack of defects, the PSLB blocks the pH response of the underlying electrode to changes in the pH of the overlying buffer. This architecture is simpler to fabricate than previously reported ITO electrodes derivatized for PSLB formation, and should be useful for optical monitoring of proton transport across supported membranes derivatized with ionophores and ion channels.

  15. Screening and structural elucidation of the zwitterionic cocrystal o-picolinic acid with p-nitro aniline

    Science.gov (United States)

    Mekala, R.; Jagdish, P.; Mathammal, R.; Sangeetha, K.

    2017-04-01

    The cocrystal was screened by solvent drop grinding method and the crystals were grown by slow evaporation method at ambient conditions. The cocrystal formation of o-picolinic acid with p-nitro aniline was initially analysed by powder X-ray diffraction. Further the structural properties of the grown crystal were confirmed by the single X-ray diffraction which indicates that the cocrystal were connected by the strong N+sbnd H-⋯O hydrogen bond interaction. The cell parameters of the grown crystal were a = 14.2144(5) Å, b = 5.7558(2) Å, c = 16.0539(6) Å. The functional groups were identified using Fourier transform infrared and Raman spectral analysis. The excitation and emission state of the sample was analysed by the UV-Visible and Fluorescence studies. The red emission was observed from the Fluorescence studies. NMR studies revealed the chemical shift of the cocrystal. Thermal stability and its melting behaviour were studied by TGA and DSC analytical techniques. Electrical behaviour was studied using the dielectric studies. The intermolecular charge transfer within the molecule were analysed using HOMO- LUMO plots.

  16. 3D Printing of Aniline Tetramer-Grafted-Polyethylenimine and Pluronic F127 Composites for Electroactive Scaffolds.

    Science.gov (United States)

    Dong, Shi-Lei; Han, Lu; Du, Cai-Xia; Wang, Xiao-Yu; Li, Lu-Hai; Wei, Yen

    2017-02-01

    Electroactive hydrogel scaffolds are fabricated by the 3D-printing technique using composites of 30% Pluronic F127 and aniline tetramer-grafted-polyethylenimine (AT-PEI) copolymers with various contents from 2.5% to 10%. The synthesized AT-PEI copolymers can self-assemble into nanoparticles with the diameter of ≈50 nm and display excellent electroactivity due to AT conjugation. The copolymers are then homogeneously distributed into 30% Pluronic F127 solution by virtue of the thermosensitivity of F127, denoted as F/AT-PEI composites. Macroscopic photographs of latticed scaffolds elucidate their excellent printability of F/AT-PEI hydrogels for the 3D-printing technique. The conductivities of the printed F/AT-PEI scaffolds are all higher than 2.0 × 10(-3) S cm(-1) , which are significantly improved compared with that of F127 scaffold with only 0.94 × 10(-3) S cm(-1) . Thus, the F/AT-PEI scaffolds can be considered as candidates for application in electrical stimulation of tissue regeneration such as repair of muscle and cardiac nerve tissue.

  17. Coupling of bio-PRB and enclosed in-well aeration system for remediation of nitrobenzene and aniline in groundwater.

    Science.gov (United States)

    Liu, Na; Ding, Feng; Wang, Liu; Liu, Peng; Yu, Xiaolong; Ye, Kang

    2016-05-01

    A laboratory-scale bio-permeable reactive barrier (bio-PRB) was constructed and combined with enclosed in-well aeration system to treat nitrobenzene (NB) and aniline (AN) in groundwater. Batch-style experiments were first conducted to evaluate the effectiveness of NB and AN degradation, using suspension (free cells) of degrading consortium and immobilized consortium by a mixture of perlite and peat. The NB and AN were completely degraded in 4 mg L(-1) when the aeration system was applied into the bio-PRB system. The NB and AN were effectively removed when the aeration system was functional in the bio-PRB. The removal efficiency decreased when the aeration system malfunctioned for 20 days, thus indicating that DO was an important factor for the degradation of NB and AN. The regain of NB and AN removal after the malfunction indicates the robustness of degradation consortium. No original organics and new formed by-products were observed in the effluent. The results indicate that NB and AN in groundwater can be completely mineralized in a bio-PRB equipped with enclosed in-well aeration system and filled with perlite and peat attached with degrading consortium.

  18. Modeling studies: Adsorption of aniline blue by using Prosopis Juliflora carbon/Ca/alginate polymer composite beads.

    Science.gov (United States)

    Kumar, M; Tamilarasan, R

    2013-02-15

    The research article describes the experimental and modeling study for the adsorptive removal of aniline blue dye (AB dye) from aqueous matrices using a Prosopis Juliflora modified carbon/Ca/alginate polymer bead as a low cost and eco-friendly adsorbent. The rate of adsorption was investigated under various experimental parameters such as contact time, adsorbent dose, dye concentration, pH and temperature. The kinetics, equilibrium and thermodynamic studies were assessed to find out the efficiency of the adsorption process. The equilibrium uptake capacity of the adsorption process was found with Freundlich and Langmuir adsorption isotherm equations and it was evaluated by dimensionless separation factor (R(L)). The dynamics of adsorption was predicted by pseudo-first order, pseudo-second order Lagergren's equation and intra particle diffusion model. Adsorption feasibility was assessed with thermodynamic parameters such as isosteric heat of adsorption (ΔH°), standard entropy (ΔS°) and Gibbs free energy (ΔG°) using VantHoff plot. The alginate bead was characterized with FTIR spectroscopy and Scanning Electron Microscopy (SEM).

  19. Influence of solvent polarity on the structure of drop-cast electroactive tetra(aniline)-surfactant thin films.

    Science.gov (United States)

    Dane, Thomas G; Bartenstein, Julia E; Sironi, Beatrice; Mills, Benjamin M; Alexander Bell, O; Emyr Macdonald, J; Arnold, Thomas; Faul, Charl F J; Briscoe, Wuge H

    2016-09-21

    The influence of processing conditions on the thin film microstructure is a fundamental question that must be understood to improve the performance of solution-processed organic electronic materials. Using grazing-incidence X-ray diffraction, we have studied the structure of thin films of a tetra(aniline)-surfactant complex prepared by drop-casting from five solvents (hexane, chloroform, tetrahydrofuran, dichloromethane and ethanol), selected to cover a range of polarities. We found that the structure, level of order and degree of orientation relative to the substrate were extremely sensitive to the solvent used. We have attempted to correlate such solvent sensitivity with a variety of solvent physical parameters. Of particular significance is the observation of a sharp structural transition in the thin films cast from more polar solvents; such films presented significantly greater crystallinity as measured by the coherence length and paracrystalline disorder parameter. We attribute this higher structural order to enhanced dissociation of the acid surfactant in the more polar solvents, which in turn promotes complex formation. Furthermore, the more polar solvents provide more effective screening of (i) the attractive ionic interaction between oppositely charged molecules, providing greater opportunity for dynamic reorganisation of the supramolecular aggregates into more perfect structures; and (ii) the repulsive interaction between the positively charged blocks permitting a solvophobic-driven aggregation of the aromatic surfaces during solvent evaporation.

  20. Beyer’s non-linearity parameter ( B/ A) in benzylidene aniline Schiff base liquid crystalline systems

    Science.gov (United States)

    Nagi Reddy, M. V. V.; Pisipati, V. G. K. M.; Madhavi Latha, D.; Datta Prasad, P. V.

    2011-02-01

    The non-linearity parameter B/ A is estimated for a number of liquid crystal materials of the type N-(p-n-alkoxy benzylidene)-p-n-alkyl anilines, popularly known as nO. m, where n and m are the aliphatic chains on either side of the rigid core, which can be varied from 1 to 18 to realize a number of LC materials with a variety LC phase variants. The B/ A values are computed from both density and sound velocity data following standard relations reported in literature. This systematic study in a homologous series provides an opportunity to study how this parameter behaves with (1) either the alkoxy and/or alkyl chain number, (2) with the total chain number ( n+ m), (3) with increase in molecular weight and (4) whether the linear relations reported in literature either with αT [thermal expansion coefficient ( α) and temperature ( T)] and sound velocity ( u) will hold good or not and if so to what extent. The results are discussed with the body of data available in literature on liquids, liquid mixtures and other LC materials.

  1. Scavenging of free-radical metabolites of aniline xenobiotics and drugs by amino acid derivatives: toxicological implications of radical-transfer reactions.

    Science.gov (United States)

    Michail, Karim; Baghdasarian, Argishti; Narwaley, Malyaj; Aljuhani, Naif; Siraki, Arno G

    2013-12-16

    We investigated a novel scavenging mechanism of arylamine free radicals by poly- and monoaminocarboxylates. Free radicals of arylamine xenobiotics and drugs did not react with oxygen in peroxidase-catalyzed reactions; however, they showed marked oxygen uptake in the presence of an aminocarboxylate. These free-radical intermediates were identified using the spin trap 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) and electron paramagnetic resonance (EPR) spectrometry. Diethylenetriaminepentaacetic acid (DTPA), a polyaminocarboxylate, caused a concentration-dependent attenuation of N-centered radicals produced by the peroxidative metabolism of arylamines with the subsequent formation of secondary aliphatic carbon-centered radicals stemming from the cosubstrate molecule. Analogously, N,N-dimethylglycine (DMG) and N-methyliminodiacetate (MIDA), but not iminodiacetic acid (IDA), demonstrated a similar scavenging effect of arylamine-derived free radicals in a horseradish peroxidase/H2O2 system. Using human promyelocytic leukemia (HL-60) cell lysate as a model of human neutrophils, DTPA, MIDA, and DMG readily reduced anilinium cation radicals derived from the arylamines and gave rise to the corresponding carbon radicals. The rate of peroxidase-triggered polymerization of aniline was studied as a measure of nitrogen-radical scavenging. Although, IDA had no effect on the rate of aniline polymerization, this was almost nullified in the presence of DTPA and MIDA at half of the molar concentration of the aniline substrate, whereas a 20 molar excess of DMPO caused only a partial inhibition. Furthermore, the yield of formaldehyde, a specific reaction endproduct of the oxidation of aminocarboxylates by aniline free-radical metabolites, was quantitatively determined. Azobenzene, a specific reaction product of peroxidase-catalyzed free-radical dimerization of aniline, was fully abrogated in the presence of DTPA, as confirmed by GC/MS. Under aerobic conditions, a radical-transfer reaction

  2. Intermetallic Compounds

    Science.gov (United States)

    Takagiwa, Y.; Matsuura, Y.; Kimura, K.

    2014-06-01

    We have focused on the binary narrow-bandgap intermetallic compounds FeGa3 and RuGa3 as thermoelectric materials. Their crystal structure is FeGa3-type (tetragonal, P42/ mnm) with 16 atoms per unit cell. Despite their simple crystal structure, their room temperature thermal conductivity is in the range 4-5-W-m-1-K-1. Both compounds have narrow-bandgaps of approximately 0.3-eV near the Fermi level. Because their Seebeck coefficients are quite large negative values in the range 350-FeGa3 and RuGa3 as n and p-type materials. The dimensionless figure of merit, ZT, was significantly improved by substitution of Sn for Ga in FeGa3 (electron-doping) and by substitution of Zn for Ga in RuGa3 (hole-doping), mainly as a result of optimization of the electronic part, S 2 σ.

  3. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  4. Organic Compounds

    Science.gov (United States)

    Shankland, Kenneth

    For many years, powder X-ray diffraction was used primarily as a fingerprinting method for phase identification in the context of molecular organic materials. In the early 1990s, with only a few notable exceptions, structures of even moderate complexity were not solvable from PXRD data alone. Global optimisation methods and highly-modified direct methods have transformed this situation by specifically exploiting some well-known properties of molecular compounds. This chapter will consider some of these properties.

  5. Chemical behavior of organic compounds in the interface ofwater/dual-cation organobentonite

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The sorption behavior of polar or ionizable organiccompounds, such as p-nitrophenol, phenol and aniline, in thewater/organobentonite systems is investigated. Both adsorption andpartition occur to the sorption of organic compounds to dual-cationorganobentonites. The separate contributions of adsorption andpartition to the total sorption of organic compounds to dual-cationorganobentonites are analyzed mathematically in the first time. The factors to the contributions are also discussed. The results indicated that the contribution of adsorption and partition is related to the composition and ratio of dual-cation surfactants exchanging onto the bentonite. The sorption of organic compounds to dual-cation organobentonite is dominated by adsorption at low concentrations and by partition at high concentrations, making the organobentonites powerful sorbents for organic contaminants over wide range of concentrations.

  6. Simulataneous analysis of reactivity of anilines in the hydrogen-isotope exchange reaction

    Institute of Scientific and Technical Information of China (English)

    ZHAO Dong-Yu; IMAIZUMI Hiroshi; LEI Qing-Quan; ZHAO Dong-Mei

    2005-01-01

    In order to reveal the reactivity of a functional group in an aromatic compound having two substituents in the aromatic ring, the hydrogen-isotope exchange reaction (T-H exchange reaction) between tritiated water vapor (HTO vapor) and 4-amino-2-methylbenzenesulfonic acid (and 5-amino-2-methylphenol) were dynamically observed at 50℃ (and 70℃) in a gas-solid system. Consequently, the fact that the specific activity of the acid increased with time was obtained, and the T-for-H exchange reaction occurred. By applying the A "-McKay plot method to the data observed, the rate constant of each functional group for the reaction was obtained. After the additive property of the Hammett's rule was applied to this work, the new substituent constants were obtained. From the above-mentioned,the following four items have been confirmed: (1) the reactivity of the functional groups can be dynamically analyzed,and the A"-McKay plot method is useful to analyze the reactivity; (2) the additive property of the Hammett's rule is applicable to quantitative comparison of the reactivity of the functional groups; (3) the reactivity of the functional groups can be simultaneously analyzed by using the A"-McKay plot method in the T-H exchange reaction; and (4) the method used in this work is also useful for analyzing the reactivity of a certain material having some kinds of functional groups.

  7. (E-N,N-Diethyl-2,6-diisopropyl-4-[2-(4-nitrophenylethenyl]aniline

    Directory of Open Access Journals (Sweden)

    Heiner Detert

    2013-12-01

    Full Text Available The title compound, C24H32N2O2, was prepared by Horner olefination of 4-diethylamino-3,5-diisopropylbenzaldehyde and diethyl p-nitrobenzylphosphonate. There are two independent molecules (A and B in the asymmetric unit. Their main axes, defined by the line connecting the N atoms of the nitro and amino groups, open an angle of 79.42 (3°. Steric hindrance around the amino group is reflected in a long aryl C—N bond [1.434 (3 Å for molecule A and 1.440 (3 Å for molecule B], a pyramidal geometry [angle sum = 350.0 (2° for molecule A and 349.6 (2° for molecule B], and dihedral angles between the phenylene group and the plane defined by the CH2—N—CH2 unit of 86.9 (3° for molecule A and 88.3 (3° for molecule B. This gives structural support for the electronic decoupling of the amino group from the nearly planar nitrostilbene moiety (r.m.s. deviation for C, N and O atoms = 0.097 for molecule A and 0.107 Å for molecule B.

  8. Antidegradation and reinforcement effects of phenyltrimethoxysilane- or N-[3-(trimethoxysilyl)propyl]aniline-modified silica particles in natural rubber composites

    Energy Technology Data Exchange (ETDEWEB)

    Tunlert, Apinya [Program in Petrochemistry and Polymer Science, Chulalongkorn University, Bangkok 10330 (Thailand); Prasassarakich, Pattarapan [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Poompradub, Sirilux, E-mail: sirilux.p@chula.ac.th [Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330 (Thailand); Center for Petroleum, Petrochemical and Advanced Material, Chulalongkorn University Bangkok 10330 (Thailand)

    2016-04-15

    The modification of silica particles with phenyltrimethoxysilane or N-[3-(trimethoxysilyl)propyl]aniline via a sol–gel reaction was performed in order to improve the dispersion of silica and antidegradation in natural rubber (NR). The functional groups on the modified silica surface were characterized by Fourier transform infrared spectroscopy, while the morphology was evaluated by scanning and transmission electron microscopy. The surface properties and antioxidant activity of the modified silica particles were determined by the water contact angle and 2, 2-diphenyl-1-picrylhydrazyl assay, respectively. The modified silica particles exhibited a higher hydrophobicity and a decreased interfacial adhesion energy compared with the unmodified silica particles. The modified silica particles were then incorporated into NR. The better dispersion of the modified silica particles than the unmodified ones in the NR matrix resulted in improved mechanical properties in terms of the modulus at 300% elongation (2.9 ± 0.02 MPa), hardness (52.5 ± 0.2 Shore A), abrasion resistance (241 ± 8 mm{sup 3}) and compression set (20.2 ± 0.6%). In addition, the inclusion of the modified silica particles in the NR matrix gave a high initial temperature of decomposition and retarded the ozone-induced degradation compared with the NR filled with unmodified silica particles. - Highlights: • Silica was surface modified with PhTMS or ATMS via a sol–gel reaction. • Modified silica showed a decreased interfacial adhesion energy. • Modified silica showed an enhanced free radical scavenging activity. • Modified silica improved the mechanical properties, thermal stability and ozone resistance in NR vulcanizates.

  9. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2012-01-01

    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  10. Combustion synthesis by reaction and characterization of nano ferrites: study of fuel aniline, citric and its mixture; Sintese por reacao de combustao e caracterizacao de nanoferritas Ni-Zn: estudo dos combustiveis anilina, acido citrico e sua mistura

    Energy Technology Data Exchange (ETDEWEB)

    Silva, M.C. da; Coutinho, J.P.; Costa, A.C.F.M., E-mail: normanda@ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Unidade Academica de Engenharia de Materiais; Kiminami, R.H.G.A. [Universidade Federal de Sao Carlos (UFSCar), SP (Brazil). Departamento de Engenharia de Materiais; Freitas, N.L. de [Universidade Federal de Campina Grande (UFCG), PB (Brazil). Unidade Academica de Tecnologia do Desenvolvimento

    2012-07-01

    The present study aims to evaluate the influence of aniline and citric acid used alone and combined in a ratio of 50% each in the characterization of NiZn ferrite synthesized by combustion reaction method in a muffle furnace. Measurements were made of temperature and reaction time. The nano-powders were characterized by XRD, EDX, textural analysis and SEM. The highest temperature was achieved by the reaction using the mixture of fuel and increased reaction time using citric acid. The nano ferrites using different fuels, and the mixture changed phases, the crystallite size and decreased surface area of the samples with aniline, citric acid and a mixture of both, respectively. The powder morphology ranged from presenting the formation of irregular blocks for the use of citric agglomerated in the form of skeins with aniline and a mixture to agglomerate larger particles. (author)

  11. Removal of organic pollutants by surfactant modified zeolite: comparison between ionizable phenolic compounds and non-ionizable organic compounds.

    Science.gov (United States)

    Xie, Jie; Meng, Wenna; Wu, Deyi; Zhang, Zhenjia; Kong, Hainan

    2012-09-15

    The aim of this study was to examine the adsorption capability and mechanism of hexadecyltrimethylammonium modified zeolite, which was synthesized from coal fly ash, for the removal of ionizable phenolic compounds (phenol, p-chlorophenol and bisphenol A, with different pK(a)) and non-ionizable organic compounds (aniline, nitrobenzene, and naphthalene, with different hydrophobicity). The obtained zeolite was identified as type Na-P1 (Na(6)Al(6)Si(10)O(32)·12H(2)O, JCPDS code 39-0219), which is classified into the gismondine group with a pore size of 3.1 Å × 4.5 Å [100] and 2.8 Å × 4.8 Å [101]. The adsorption of the two kinds of organic compounds was due to loaded surfactant bilayer because modified zeolite showed great ability for the removal of organic chemicals while little adsorption by zeolite was observed. The isotherm data of ionizable compounds fitted well to the Langmuir model but those of non-ionizable chemicals followed a linear equation. Uptake of ionizable compounds depended greatly on pH, increasing at alkaline pH conditions. In contrary, adsorption of non-ionizable chemicals was essentially the same at all pH levels studied. The adsorption of both kinds of organic compounds correlated well to k(ow) value, suggesting that more hydrophobic organic contaminants are more easily retained by modified zeolite. Based on the different adsorption behavior, the uptake of non-ionizable pollutants was thought to be a single partitioning process into the surfactant bilayer. For ionizable compounds, however, interaction of the phenol group(s) with the positively charged "head" of surfactant additionally functions.

  12. 苯酚苯胺共聚物在304不锈钢电极表面的电化学合成及成膜微观结构分析%Electrochemical Synthesis of Phenol-aniline Copolymerization Coating on 304 Stainless Steel Anodes and Coating Microstructure Analysis

    Institute of Scientific and Technical Information of China (English)

    鲍立垠; 熊蓉春; 张雯; 魏刚

    2011-01-01

    Electrochemical copolymerization of phenol and aniline was achieved on 304 stainless steel anodes in neutral water solution with an electrolyte of Na2SO4O4. Compared with pit corrosion potential of different copolymer coatings, the best solution composition was 0.09 mol/L phenol and 0.01 mol/L aniline. Through infrared spectrum analysis, polyaniline structure was proved in phenol-aniline copolymer, as well as more side chains. Scanning electron microscope was used to analyze microstructure of copolymer coating, taking advantage of part solubility of phenol-aniline copolymer in tetrahydrofuran, the bifurcate network structure was observed. The copolymer coating microstructure was summarized, compared with the performance of polyphenol coatings, the reasons of corrosion resistance enhancement with the addition of aniline in electropolymerization reaction was assumed as well.

  13. Green Synthesis of Ag and Pd Nanospheres, Nanowires, and Nanorods Using Vitamin B2: Catalytic Polymerisation of Aniline and Pyrrole

    Directory of Open Access Journals (Sweden)

    Mallikarjuna N. Nadagouda

    2008-01-01

    Full Text Available For the first time, we report green chemistry approach using vitamin B2 in the synthesis of silver (Ag and palladium (Pd, nanospheres, nanowires, and nanorods at room temperature without using any harmful reducing agents, such as sodium borohydride (NaBH4 or hydroxylamine hydrochloride and any special capping or dispersing agent. Vitamin B2 was used as reducing agent as well as capping agent due to its high-water solubility, biodegradability, and low-toxicity compared with other reducing agents. The average particle size of nanoprticle was found to be Ag (average size 6.1±0.1 nm and Pd (average size 4.1±0.1 nm nanoparticles in ethylene glycol and Ag (average size 5.9±0.1 nm, and average size 6.1±0.1 nanoparticles in acetic acid and NMP, respectively. The formation of noble multiple shape nanostructures and their self assembly were dependent on the solvent employed for the preparation. When water was used as solvent media, Ag and Pd nanoparticles started to self-assemble into rod-like structures and in isopropanol Ag and Pd nanoparticles yielded wire-like structures with a thickness in the range of 10 to 20 nm and several hundred microns in length. In acetone and acetonitrile medium, the Ag and Pd nanoparticles are self-assembled into a regular pattern making nanorod structures with thicknesses ranging from 100 to 200 nm and lengths of a few microns. The so-synthesized nanostructures were characterized using scanning electron microscopy (SEM, transmission electron microscopy (TEM, energy dispersive X-ray (EDX analysis, and UV spectroscopy. The ensuing Ag and Pd nanoparticles catalyzed the reactions of aniline and pyrrole to generate polyaniline and polypyrrole nanofibers and may find various technological and biological applications. This single-step greener approach is general and can be extended to other noble metals and transition metal oxides.

  14. Atomic-Level Organization of Vicinal Acid-Base Pairs through the Chemisorption of Aniline and Derivatives onto Mesoporous SBA15

    KAUST Repository

    Basset, Jean-Marie

    2016-06-09

    The design of novel heterogeneous catalysts with multiple adjacent functionalities is of high interest for heterogeneous catalysis. Herein, we report a method to obtain a majority bifunctional acid-base pairs on SBA15. Aniline reacts with SBA15 by opening siloxane bridges leading to N-phenylsilanamine-silanol pairs. In contrast with ammonia treated surfaces, the material is stable under air/moisture. Advanced solid state MAS NMR: 2D ¹H-¹H double-quantum, ¹H-¹³C HETCOR experiments and dynamic nuclear polarization enhanced ²⁹Si and ¹⁵N spectra demonstrate both the close proximity between the two moieties and the formation of a covalent Si-N surface bond and confirm the design of vicinal acid-base pairs. This approach was successfully applied to the design of a series of aniline derivatives bifunctional SBA15. A correlation of the substituents effects on the aromatic ring (Hammet parameters) on the kinetics of the model reaction of Knoevenagel is observed.

  15. A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.

    Science.gov (United States)

    Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A; Xing, Dong; Hu, Wen-Hao

    2016-11-02

    A simple and effective method for the synthesis of 3-aryl-3-substituted oxindole derivatives via a [Rh]-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates is developed. This transformation is proposed to proceed through an intermolecular aldol-type trapping of zwitterionic intermediates.

  16. Water as a Direct Hydrogen Donor in Supercritical Carbon Di-oxide: A Novel and Efficient Zn-H2O-CO2 System for Chemo selective Reduction of Nitrobenzenes to Anilines

    Institute of Scientific and Technical Information of China (English)

    JIANG Huan-Feng; DONG Yao-Sen

    2008-01-01

    An eco-friendly and cheap Zn-H2O-CO2 system was presented for chemoselective reduction of nitrobenzenes to anilines with high yields (80%-97% isolated yields) in supercritical carbon dioxide. This process brings together the very important green chemistry technologies--the use of carbon dioxide as a solvent and the use of water as a hydrogen donor.

  17. 碳纳米管-苯胺电荷转移复合物中的胺荧光淬灭效应%Quenching Effects of Amine on Fluorescence of Carbon Nanotube-Aniline Charge Transfer Complex

    Institute of Scientific and Technical Information of China (English)

    SUN Xu-feng; WANG Yu; JIN Wei-jun

    2005-01-01

    Under refluxing, carbon nanotube (CNT) and aniline (An) can form the charge transfer complex (CTC) of CNT-An.The corresponding fluorescence emission peaks lied at 564nm and 606nm, respectively, with the excitation wavelength of 516nm in the acetone solution. The quenching effects of various amines on CNT- An CTC fluorescence were investigated in detail.

  18. Synthesis, antimicrobial screening and structure-activity relationship of some novel 2-hydroxy-5-(nitro-substituted phenylazo benzylidine anilines

    Directory of Open Access Journals (Sweden)

    Halve A

    2006-01-01

    Full Text Available The title compounds were synthesized by the condensation of nitro-substituted 2-hydroxy-5- (nitro-substituted phenylazo benzaldehyde (3 with different aromatic amines in presence of ethanol in good yield. The chemical structures were confirmed by IR, 1H NMR and elemental analysis. All the synthesized compounds (4a-j have been evaluated for their in vitro antimicrobial activity against S. aureus , P. aeruginosa , E. coli , A. fumigatus , A. niger and C. neoformans .

  19. A Research into Aniline in Oxidizing Water Electrolyzed by PbO2 Electrode with CNT Interlayer%含CNT夹层的PbO2电极电催化氧化水中苯胺的研究

    Institute of Scientific and Technical Information of China (English)

    段小月; 赵雪松; 郑勤莹; 赵爽; 王嘉琦; 夏宁雨

    2016-01-01

    In this study,the PbO2 electrode with carbon nanotube (CNT)is prepared by electro-phoresis and electric deposition.The images from the scanning electron microscopy show that the PbO2 electrode with large specific surface area of CNT containing many small Beta PbO2 grains can be obtained in the 10 min beta PbO2 electrodeposed active layer on the surface of CNT.The CNT PbO2 electrode is applied to electrocatalyse,oxidize and degrade aniline in water so as to study the effect of current density,aniline initial concentration,temperature,electrolyte concen-tration on the degradation rate of aniline.The results show that the aniline degradation ratio in-creases with the rise of applied current density,that the greater the aniline initial concentration is, the lower the aniline degradation ratio is and that in the experimental range,the temperature and the concentration of the supporting electrolyte has little influence on the electrocatalytic oxidation and degradation of aniline.%结合电泳法和电沉积法制备了含碳纳米管(CNT)夹层的 PbO2电极(CNT-PbO2),扫描电子显微镜图像表明,在CNT夹层表面电沉积10 minβ-PbO2活性层可获得β-PbO2晶粒较多、晶粒尺寸较小、比表面积较大的CNT-PbO2电极。利用 CNT-PbO2电极电催化氧化降解水中苯胺,研究电流密度、苯胺初始浓度、温度、支持电解质浓度对苯胺降解率的影响。实验结果表明:随着电流密度的增加,苯胺的降解率升高;苯胺初始浓度越高,苯胺的降解率越低;在实验范围内,温度和支持电解质浓度对电催化氧化降解苯胺过程影响较小。

  20. Degradation of aromatic compounds in plants grown under aseptic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Mithaishvili, T.; Ugrekhelidze, D.; Tsereteli, B.; Sadunishvili, T.; Kvesitadze, G. [Durmishidze Inst. of Biochemistry and Biotechnology, Academy of Sciences of Georgia, Tbilisi (Georgia); Scalla, R. [Lab. des Xenobiotiques, INRA, Toulouse (France)

    2005-02-01

    The aim of the work is to investigate the ability of higher plants to absorb and detoxify environmental pollutants - aromatic compounds via aromatic ring cleavage. Transformation of {sup 14}C specifically labelled benzene derivatives, [1-6-{sup 14}C]-nitrobenzene, [1-6-{sup 14}C]-aniline, [1-{sup 14}C]- and [7-{sup 14}C]-benzoic acid, in axenic seedlings of maize (Zea mays L.), kidney bean (Phaseolus vulgaris L.), pea (Pisum sativum L.) and pumpkin (Cucurbita pepo L.) were studied. After penetration in plants, the above xenobiotics are transformed by oxidative or reductive reactions, conjugation with cell endogenous compounds, and binding to biopolymers. The initial stage of oxidative degradation consists in hydroxylation reactions. The aromatic ring can then be cleaved and degraded into organic acids of the Krebs cycle. Ring cleavage is accompanied by {sup 14}CO{sub 2} evolution. Aromatic ring cleavage in plants has thus been demonstrated for different xenobiotics carrying different substitutions on their benzene ring. Conjugation with low molecular peptides is the main pathway of aromatic xenobiotics detoxification. Peptide conjugates are formed both by the initial xenobiotics (except nitrobenzene) and by intermediate transformation products. The chemical nature of the radioactive fragment and the amino acid composition of peptides participating in conjugation were identified. (orig.)

  1. Sub micrometric fibrillar structures of codoped poly aniline obtained by co-oxidation using the NaCl O/ammonium peroxydisulfate system: synthesis and characterization

    Energy Technology Data Exchange (ETDEWEB)

    Osorio F, J. E.; Gomez Y, C.; Hernandez P, M. A.; Corea T, M. L., E-mail: josorio@ipn.mx [IPN, Escuela Superior de Ingenieria Quimica e Industrias Extractivas, U. P. Adolfo Lopez Mateos, Av. Instituto Politecnico Nacional s/n, Col. San Pedro Zacatenco, 07738 Mexico D. F. (Mexico)

    2013-07-01

    A mixture of ammonium peroxydisulfate and sodium hypochlorite (NaCl O) (co-oxi dating system) were used to obtain poly aniline (PANi) doped with HCl and camphorsulfonic acid (CsA) (co-doping). The effect of HCl/CsA ratio added during polymerization structure, morphology and electrical conductivity of the conducting polymer was investigated. When NaCl O is used, the polymerization rate is substantially increased and the morphology changes from micrometric granular to nano metric fibrillar. CsA was used as complementary dopant but also to improve the solubility of PANi in common solvents. However, results suggest that quinone-like heterocycles containing carbonyl radicals as well as phenazine-type aromatic rings might be impeding an efficient doping in detriment of the conductivity. For the characterization X-Ray diffraction analysis, UV visible spectroscopy and scanning electron microscopy were used. (Author)

  2. 基于Pickering乳液介质萃取苯胺的研究%Study on the Aniline Extraction Process Based on Pickering Emulsion Medium

    Institute of Scientific and Technical Information of China (English)

    刘登卫; 贺拥军; 郭晓滨; 张超; 李紫萱; 高绮

    2012-01-01

    The static and dynamic extraction of aniline from aqueous solution was carried out with the Pickering emulsions as extraction media. The effects of the volume amount of emulsions, the amount of MgO particles and the extraction stages on the static extraction efficiency were investigated. The influences of the influent rate, the inlet concentration of aniline, and the amount of emulsion on the efficiency of the dynamic extraction were also investigated. The results show that the static extraction efficiency of single-stage is 70%, while that of three-stages exceeds 98%. With the increase of the volume amount of the Pickering emulsions and the extraction stages, the static extraction efficiency increases. With increasing the amount of MgO particles, the static extraction efficiency raises at first and then decreases. The dynamic extraction behavior of aniline from aqueous solution is similar to that of adsorption procedure in fixed bed. With the increase of the volume amount of Pickering emulsions, and the decrease of inlet rate and initial aniline concentration, the dynamic extraction efficiency increases. The extraction procedure based on Pickering emulsions provides a potential way for many industrial processes, such as sewage treatment and the extraction of the active ingredients of traditional Chinese medicines.%以Pickering乳液为介质,研究了苯胺的静态和动态萃取过程.考察了乳液用量、氧化镁粒子用量和萃取级数对静态萃取效率的影响作用,以及苯胺进水浓度、乳液用量和进水流速对动态萃取过程的影响作用.结果表明,在静态条件下,乳液单级萃取苯胺的效率为70%,三级萃取效率超过98%.随着Pickering乳液的用量和萃取级数的增加,静态萃取效率提高:随着MgO粒子用量的增大,静态萃取效率呈现先提高后减小的变化趋势.苯胺的动态萃取行为与固定床吸附过程类似,随着乳液用量增加、进水流速减小和进水浓度的减

  3. Synthesis and characterization of poly(2,5-dimethoxyaniline) and poly(aniline-Co-2,5-dimethoxyaniline): The processable conducting polymers

    Indian Academy of Sciences (India)

    Bidhan C Roy; Maya Dutta Gupta; Leena Bhowmik; Jayanta K Ray

    2001-08-01

    Poly(2,5-dimethoxyaniline) (PDMOA) and its copolymers with aniline (PADMOA), which exhibit remarkably improved solubility in common organic solvents, were obtained by chemical polymerization, and characterized by a host of physical techniques. The lowering of the quinoid absorption in the IR spectra and the upshifting of the 1s envelope in the XPS spectra indicate residual doping in the XPS polymers and thermal characteristic of the polymers provide evidence for hydrogen bonding, which appear to enhance the thermal stability of the homopolymer. These polymers are highly planar and conjugated, with well-developed polaronic features, shown by the XRD, ESR and UV-spectral data. The conductivity, however, is not high and apparently may be due to localization of polaronic charges at the hydrogen-bonding sites and the increased proportion of the insulating methoxy component in the polymer matrix.

  4. Removal of organic micro-pollutants (phenol, aniline and nitrobenzene) via forward osmosis (FO) process: Evaluation of FO as an alternative method to reverse osmosis (RO).

    Science.gov (United States)

    Cui, Yue; Liu, Xiang-Yang; Chung, Tai-Shung; Weber, Martin; Staudt, Claudia; Maletzko, Christian

    2016-03-15

    In this study, we have explored and compared the effectiveness of using (1) lab-fabricated forward osmosis (FO) membranes under both FO and reverse osmosis (RO) modes and (2) commercially available RO membranes under the RO mode for the removal of organic micro-pollutants. The lab-fabricated FO membranes are thin film composite (TFC) membranes consisting of a polyamide layer and a porous substrate cast from three different materials; namely, Matrimid, polyethersulfone (PESU) and sulfonated polyphenylene sulfone (sPPSU). The results show that the FO mode is superior to the RO mode in the removal of phenol, aniline and nitrobenzene from wastewater. The rejections of all three TFC membranes to all the three organic micro-pollutants under the FO processes are higher than 72% and can be even higher than 90% for aniline when a 1000 ppm aromatic aqueous solution and 1 M NaCl are employed as feeds. These performances outperform the results obtained from themselves and commercially available RO membranes under the RO mode. In addition, the rejection can be maintained even when treating a more concentrated feed solution (2000 ppm). The removal performance can be further enhanced by using a more concentrated draw solution (2 M). The water flux is almost doubled, and the rejection increment can reach up to 17%. Moreover, it was observed that annealing as a post-treatment would help compact the membrane selective layer and further enhance the separating efficiency. The obtained organic micro-pollutant rejections and water fluxes under various feasible operating conditions indicate that the FO process has potential to be a viable treatment for wastewater containing organic micro-pollutants.

  5. Removal of organic micro-pollutants (phenol, aniline and nitrobenzene) via forward osmosis (FO) process: Evaluation of FO as an alternative method to reverse osmosis (RO)

    KAUST Repository

    Cui, Yue

    2016-01-05

    In this study, we have explored and compared the effectiveness of using (1) lab-fabricated forward osmosis (FO) membranes under both FO and reverse osmosis (RO) modes and (2) commercially available RO membranes under the RO mode for the removal of organic micro-pollutants. The lab-fabricated FO membranes are thin film composite (TFC) membranes consisting of a polyamide layer and a porous substrate cast from three different materials; namely, Matrimid, polyethersulfone (PESU) and sulfonated polyphenylene sulfone (sPPSU). The results show that the FO mode is superior to the RO mode in the removal of phenol, aniline and nitrobenzene from wastewater. The rejections of all three TFC membranes to all the three organic micro-pollutants under the FO processes are higher than 72% and can be even higher than 90% for aniline when a 1000 ppm aromatic aqueous solution and 1 M NaCl are employed as feeds. These performances outperform the results obtained from themselves and commercially available RO membranes under the RO mode. In addition, the rejection can be maintained even when treating a more concentrated feed solution (2000 ppm). The removal performance can be further enhanced by using a more concentrated draw solution (2 M). The water flux is almost doubled, and the rejection increment can reach up to 17%. Moreover, it was observed that annealing as a post-treatment would help compact the membrane selective layer and further enhance the separating efficiency. The obtained organic micro-pollutant rejections and water fluxes under various feasible operating conditions indicate that the FO process has potential to be a viable treatment for wastewater containing organic micro-pollutants.

  6. Ultrafast forward and backward electron transfer dynamics of coumarin 337 in hydrogen-bonded anilines as studied with femtosecond UV-pump/IR-probe spectroscopy.

    Science.gov (United States)

    Ghosh, Hirendra N; Verma, Sandeep; Nibbering, Erik T J

    2011-02-10

    Femtosecond infrared spectroscopy is used to study both forward and backward electron transfer (ET) dynamics between coumarin 337 (C337) and the aromatic amine solvents aniline (AN), N-methylaniline (MAN), and N,N-dimethylaniline (DMAN), where all the aniline solvents can donate an electron but only AN and MAN can form hydrogen bonds with C337. The formation of a hydrogen bond with AN and MAN is confirmed with steady state FT-IR spectroscopy, where the C═O stretching vibration is a direct marker mode for hydrogen bond formation. Transient IR absorption measurements in all solvents show an absorption band at 2166 cm(-1), which has been attributed to the C≡N stretching vibration of the C337 radical anion formed after ET. Forward electron transfer dynamics is found to be biexponential with time constants τ(ET)(1) = 500 fs, τ(ET)(2) = 7 ps in all solvents. Despite the presence of hydrogen bonds of C337 with the solvents AN and MAN, no effect has been found on the forward electron transfer step. Because of the absence of an H/D isotope effect on the forward electron transfer reaction of C337 in AN, hydrogen bonds are understood to play a minor role in mediating electron transfer. In contrast, direct π-orbital overlap between C337 and the aromatic amine solvents causes ultrafast forward electron transfer dynamics. Backward electron transfer dynamics, in contrast, is dependent on the solvent used. Standard Marcus theory explains the observed backward electron transfer rates.

  7. Correlations and adsorption mechanisms of aromatic compounds on a high heat temperature treated bamboo biochar.

    Science.gov (United States)

    Yang, Kun; Yang, Jingjing; Jiang, Yuan; Wu, Wenhao; Lin, Daohui

    2016-03-01

    Adsorption of aromatic compounds, including polycyclic aromatic hydrocarbons, nitrobenzenes, phenols, and anilines, on a bamboo biochar produced at 700 °C (Ba700) was investigated with the mechanism discussion by isotherm fitting using the Polanyi-theory based Dubinin-Ashtakhov (DA) model. Correlations of adsorption capacity (Q(0)) of organic compounds with their molecular sizes and melting points, as well as correlations of adsorption affinity (E) with their solvatochromic parameters (i.e., π* and αm), on the biochar, were developed and indicating that adsorption is captured by the pore filling mechanism and derived from the hydrophobic effects of organic compounds and the forming of π-π electron donor-acceptor (EDA) interactions and hydrogen bonding interactions of organic molecules with surface sites of the biochar. The effects of organic molecular sizes and melting points on adsorption capacity are ascribed to the molecular sieving effect and the packing efficiency of the organic molecules in the biochar pores, respectively. These correlations can be used to quantitatively estimate the adsorption of organic compounds on biochars from their commonly physicochemical properties including solvatochromic parameters, melting points and molecular cross-sectional area. The prediction using these correlations is important for assessing the unknown adsorption behaviors of new organic compounds and also helpful to guide the surface modification of biochars and make targeted selection in the environmental applications of biochars as adsorbents.

  8. Study of the rearrangement of N-alkylanilines to P-aminoalkylbencene. III. N-n-propil-l-14{sup C} aniline; Estudio de la transposicion de N-Alquilanilinas a p-Aminoalquibenceno mediante 14{sup C}. III. N-n Propilanilina

    Energy Technology Data Exchange (ETDEWEB)

    Molera, J. M.; Gamboa, J. M.; Val del Cob, M.; Ortin, N.

    1964-07-01

    The rearrangement of N-n-propyl aniline to p-amino propylbenzene has been studied at 250 degree centigrade using several catalysts: CoCl{sub 2}, ZnCl{sub 2} and HBr. N-propyl-1-14{sup C}-aniline has been synthesized from sodium propionate-1-14{sup C} through conversion to n-propyl-1-14{sup C}-iodide and further reaction with aniline. After the rearrangement and among the reaction products both p-aminopropylbenzene and p-aminoisopropylbencene were found. To determine the 14{sup C} position in both the starting aniline and reaction products two degradation schemes are followed. In the light of experimental evidence a mechanism is set forth based on the assumption of an organic cation as intermediate. (Author) 13 refs.

  9. Removal of organic pollutants by surfactant modified zeolite: Comparison between ionizable phenolic compounds and non-ionizable organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Jie; Meng, Wenna [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China); Wu, Deyi, E-mail: dywu@sjtu.edu.cn [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China); Zhang, Zhenjia; Kong, Hainan [School of Environmental Science and Engineering, Shanghai Jiao Tong University, No. 800, Dongchuan Rd., Shanghai 200240 (China)

    2012-09-15

    Highlights: Black-Right-Pointing-Pointer Surfactant modified zeolite could greatly retain organic pollutants. Black-Right-Pointing-Pointer Uptake of organic compounds was due to the loaded surfactant. Black-Right-Pointing-Pointer k{sub ow} is crucial for the uptake of both ionizable and non-ionizable organic solutes. Black-Right-Pointing-Pointer pK{sub a} is another factor affecting adsorption process of ionizable organic pollutants. Black-Right-Pointing-Pointer Adsorption mechanisms of the two kinds of organic pollutants were proposed. - Abstract: The aim of this study was to examine the adsorption capability and mechanism of hexadecyltrimethylammonium modified zeolite, which was synthesized from coal fly ash, for the removal of ionizable phenolic compounds (phenol, p-chlorophenol and bisphenol A, with different pK{sub a}) and non-ionizable organic compounds (aniline, nitrobenzene, and naphthalene, with different hydrophobicity). The obtained zeolite was identified as type Na-P1 (Na{sub 6}Al{sub 6}Si{sub 10}O{sub 32}{center_dot}12H{sub 2}O, JCPDS code 39-0219), which is classified into the gismondine group with a pore size of 3.1 Angstrom-Sign Multiplication-Sign 4.5 Angstrom-Sign [1 0 0] and 2.8 Angstrom-Sign Multiplication-Sign 4.8 Angstrom-Sign [1 0 1]. The adsorption of the two kinds of organic compounds was due to loaded surfactant bilayer because modified zeolite showed great ability for the removal of organic chemicals while little adsorption by zeolite was observed. The isotherm data of ionizable compounds fitted well to the Langmuir model but those of non-ionizable chemicals followed a linear equation. Uptake of ionizable compounds depended greatly on pH, increasing at alkaline pH conditions. In contrary, adsorption of non-ionizable chemicals was essentially the same at all pH levels studied. The adsorption of both kinds of organic compounds correlated well to k{sub ow} value, suggesting that more hydrophobic organic contaminants are more easily retained

  10. 羟基氧化铁催化臭氧氧化降解苯胺废水%Degradation of aniline Wastewater by hydroxyl iron oxide catalytic ozone oxidation

    Institute of Scientific and Technical Information of China (English)

    林继辉; 蒋联规; 曾飞虎; 黄先锋

    2012-01-01

    以实验室制备的羟基氧化铁(FeOOH)为催化剂催化臭氧氧化处理苯胺废水,对比催化臭氧氧化与单独臭氧降解苯胺的效率,实验结果表明,FeOOH催化臭氧氧化能加快对苯胺的降解速率,并且矿化程度高.说明FeOOH对臭氧氧化水中的苯胺具有明显的催化作用.探讨了氧气的进气流量、苯胺的初始浓度、水溶液的pH、催化剂的投加量等因素对催化氧化苯胺的影响.研究表明:氧气的进气流量为30L/h、初始浓度300mg/L时、pH值7.3、催化剂的投加量为2g/L、反应15min后,苯胺的去除率可达98.2%,COD的去除率可达70%.在催化体系中加入自由基捕获剂叔丁醇后,催化臭氧氧化反应明显受到抑制,间接证明了FeOOH催化臭氧氧化苯胺遵循自由基反应机理.%By the laboratory preparation of hydroxyl ferric oxide (FeOOH) as catalyst 03 catalytic oxidation wastewater treatment aniline, the contrast of 03 catalytic and individual ozone of aniline degradation efficiency is made. The experimental results show that FeOOH 03 catalytic can accelerate the degradation rate of aniline, and a high degree of mineralization. It also proves that the FeOOH to ozone oxidation of aniline in water has the obvious catalytic activity. The paper discusses the oxygen intake flow, aniline initial concentration, the solution of the catalyst pH and the dosing quantity of factors catalytic oxidation of aniline influence. Research shows that: oxygen intake flow for 30 L/h, initial concentration 300 mg/L, pH value of 7.3, catalyst dosing quantity for 2 g/L, reaction after 15 min to the removal rate of aniline can reach 98.2%. The COD removal rate can amount to 70%. Through the process of free radicals in catalytic to capture agent after uncle butanol, it showed significant inhibitory catalytic oxidation reaction ozone, which indirectly proves that the FeOOH 03 catalytic oxidation aniline follows the free radicals reaction mechanism.

  11. Tandem beta-enamino ester formation and cyclization with o-alkynyl anilines catalyzed by InBr3: efficient synthesis of beta-(N-indolyl)-alpha,beta-unsaturated esters.

    Science.gov (United States)

    Murai, Kenichi; Hayashi, Shoko; Takaichi, Nobuhiro; Kita, Yasuyuki; Fujioka, Hiromichi

    2009-02-06

    A tandem reaction providing beta-(N-indolyl)-alpha,beta-unsaturated esters from beta-keto esters and o-alkynyl anilines was developed. Z-Alkenes were selectively formed due to the stability of the beta-enamino ester as an intermediate of the reaction. This reaction includes the intermolecular beta-enamino ester formation and intramolecular cyclization catalyzed by InBr(3).

  12. (E)-2,4,6-Trimethyl-N-[(1H-pyrrol-2-yl)methyl-idene]aniline.

    Science.gov (United States)

    Imhof, Wolfgang

    2013-01-01

    The title compound, C14H16N2, is a pyrrole-2-carbaldimine ligand that shows an E conformation at the imine double bond. The dihedral angle between the rings is 78.3 (1)°. In the crystal, pairs of mol-ecules form centrosymmetric dimers [graph-set descriptor is presumably R(2)2(10)] via N-H⋯N hydrogen bonds between the pyrrole N-H group and the imine N atom of a neighbouring mol-ecule.

  13. Novel amphiphilic polymeric ionic liquid-solid phase micro-extraction membrane for the preconcentration of aniline as degradation product of azo dye Orange G under sonication by liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Cai, Mei-Qiang; Wei, Xiao-Qing; Du, Chun-Hui; Ma, Xu-Ming; Jin, Mi-Cong

    2014-07-04

    A novel amphiphilic polymeric ionic liquid membrane containing a hydrophilic bromide anion and a hydrophobic carbonyl group was synthesized in dimethylformamide (DMF) systems using the ionic liquid 1-butyl-3-vinylimidazolium bromide (BVImBr) and the methylmethacrylate (MMA) as monomers. The prepared amphiphilic ploy-methylmethacrylate-1-butyl-3-vinylimidazolium bromide (MMA-BVImBr) was characterized by a scanning electron microscope and an infrared spectrum instrument. The results of solid-phase micro-extraction membrane (SPMM) experiments showed that the adsorption capacity of membrane was about 0.76μgμg(-1) for aniline. Based on this, a sensitive method for the determination of trace aniline, as a degradation product of azo dye Orange G under sonication, was developed by liquid chromatography-tandem mass spectrometry (LC-MS/MS). The calibration curve showed a good linearity ranging from 0.5 to 10.0μgL(-1) with a correlation coefficient value of 0.9998. The limit of quantification was 0.5μgL(-1). The recoveries ranged from 90.6% to 96.1%. The intra- and inter-day relative standard deviations were less than 8.3% and 10.9%. The developed SPMM-LC-MS/MS method was used successfully for preconcentration of trace aniline produced during the sonication of Orange G solution.

  14. Gradient measurement technique to identify phase transitions in nano-dispersed liquid crystalline compounds

    Science.gov (United States)

    Pardhasaradhi, P.; Madhav, B. T. P.; Venugopala Rao, M.; Manepalli, R. K. N. R.; Pisipati, V. G. K. M.

    2016-09-01

    Characterization and phase transitions in pure and 0.5% BaTiO3 nano-dispersed liquid crystalline (LC) N-(p-n-heptyloxybenzylidene)-p-n-nonyloxy aniline, 7O.O9, com-pounds are carried out using a polarizing microscope attached with hot stage and camera. We observed that when any of these images are distorted, different local structures suffer from various degradations in a gradient magnitude. So, we examined the pixel-wise gradient magnitude similarity between the reference and distorted images combined with a novel pooling strategy - the standard deviation of the GMS map - to determine the overall phase transition variations. In this regard, MATLAB software is used for gradient measurement technique to identify the phase transitions and transition temperature of the pure and nano-dispersed LC compounds. The image analysis of this method proposed is in good agreement with the standard methods like polarizing microscope (POM) and differential scanning calorimeter (DSC). 0.5% BaTiO3 nano-dispersed 7O.O9 compound induces cholesteric phase quenching the nematic phase, which the pure compound exhibits.

  15. Volatile Organic Compounds (VOCs)

    Science.gov (United States)

    ... Share Facebook Twitter Google+ Pinterest Contact Us Volatile Organic Compounds' Impact on Indoor Air Quality On this ... Exposure Standards or Guidelines Additional Resources Introduction Volatile organic compounds (VOCs) are emitted as gases from certain ...

  16. Reissert compound of bisbenzimidazole

    OpenAIRE

    1989-01-01

    A Reissert compound of bisbenzimidazole can be formed by first reacting benzimidazole with an aliphatic diacid chloride to form bisbenzimidazole and then reacting the bisbenzimidazole with an aliphatic acid chloride and cyanide to form the Reissert compound thereof.

  17. Photocatalytic Degradation of Eosin Yellow Using Poly(pyrrole-co-aniline-Coated TiO2/Nanocellulose Composite under Solar Light Irradiation

    Directory of Open Access Journals (Sweden)

    T. S. Anirudhan

    2015-01-01

    Full Text Available The present study describes the feasibility of a novel adsorbent cum photocatalyst, poly(pyrrole-co-aniline-coated TiO2/nanocellulose composite (P(Py-co-An-TiO2/NCC, to remove eosin yellow (EY from aqueous solutions. The removal of EY was investigated by batch adsorption followed by photocatalysis. The effect of various adsorption parameters like adsorbent dose, pH, contact time, initial concentration, and ionic strength has been optimized for treating effluents from the dye industry. Adsorption of EY reached maximum at pH 4.5 and complete removal of dye was achieved using 3.5 g/L of P(Py-co-An-TiO2/NCC. Adsorption equilibrium data were fitted with Langmuir and Fritz-Schlunder isotherm models and the kinetics of adsorption follows a second-order mechanism. The adsorption capacity of P(Py-co-An-TiO2/NCC was found to be 3.39 × 10−5 mol/g and reached equilibrium within 90 min. The photocatalytic degradation of adsorbed dye under sunlight was possible and about 92.3% of dye was degraded within 90 min. The reusability of P(Py-co-An-TiO2/NCC was also investigated. The results indicate that P(Py-co-An-TiO2/NCC is the best material for the wiping out of EY from aqueous solutions.

  18. Fe-N-C electrocatalysts for oxygen reduction reaction synthesized by using aniline salt and Fe3+/H2O2 catalytic system

    KAUST Repository

    Bukola, Saheed

    2014-11-01

    Non-precious metal (NPM) catalysts are synthesized by polymerizing aniline salt using an aqueous Fe3+/H2O2 coupled catalytic system on a carbon matrix with a porous creating agent. The sulfur containing compunds such as ammonium peroxydisulfate, are eliminated in this method resulting in a much simpler process. The catalysts\\' porous structures are enhanced with ammonium carbonate as a sacrificial material that yields voids when decomposed during the heat treatment at 900 °C in N2 atmosphere. Two catalysts Fe-N-C/Vu and Fe-N-C/KB (Vu = Vulcan and KB = Ketjen black) were synthesized and characterized. Their oxygen reduction reaction (ORR) activities were investigated using a rotating ring-disk electrode (RRDE) in both 0.1 M KOH and 0.1 M HClO4. The catalysts show improved ORR activities close to that of Pt-based catalysts, low H2O2 formation and also demonstrated a remarkable tolerance towards methanol oxidation.

  19. Complex of 2-(methylthio)aniline with palladium(II) as an efficient catalyst for Suzuki–Miyaura C-C coupling in eco-friendly water

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Gyandshwar K.; Kumar, Arun; Bhunia, Mrinal; Singh, Mahabir P.; Singh, Ajai Kumar, E-mail: aksingh@chemistry.iitd.ac.in

    2014-03-01

    Graphical abstract: - Highlights: • Synthesis of palladium complex of a bidentate ligand of (N, S) type. • Determination of single crystal structure of the complex. • Complex showed excellent activity for Suzuki–Miyaura coupling reactions in water. • TON values up to 93,000 were achieved. - Abstract: 2-(Methylthio)aniline (L1), a bidentate (S,N) ligand synthesized by the reaction of o-aminothiophenol with methyl iodide, on reacting with Na{sub 2}PdCl{sub 4} in acetone and water gives a complex [PdL1Cl{sub 2}] (1). Single crystal X-ray diffraction studies have revealed that the geometry of palladium in 1 is nearly square-planar and the ligand L1 is bound to the palladium through S and N in a bidentate coordination mode forming a five membered chelate ring. This complex functions as a thermally and air stable catalyst of high efficiency for Suzuki–Miyaura C-C coupling reactions in water. It catalyzes C-C coupling between various aryl bromides and phenylboronic acid under mild reaction conditions in water. TON value up to 93,000 has been obtained.

  20. Poly(aniline) nanowires in sol-gel coated ITO: a pH-responsive substrate for planar supported lipid bilayers.

    Science.gov (United States)

    Ge, Chenhao; Orosz, Kristina S; Armstrong, Neal R; Saavedra, S Scott

    2011-07-01

    Facilitated ion transport across an artificial lipid bilayer coupled to a solid substrate is a function common to several types of bioelectronic devices based on supported membranes, including biomimetic fuel cells and ion channel biosensors. Described here is fabrication of a pH-sensitive transducer composed of a porous sol-gel layer derivatized with poly(aniline) (PANI) nanowires grown from an underlying planar indium-tin oxide (ITO) electrode. The upper sol-gel surface is hydrophilic, smooth, and compatible with deposition of a planar supported lipid bilayer (PSLB) formed via vesicle fusion. Conducting tip AFM was used to show that the PANI wires are connected to the ITO, which convert this electrode into a potentiometric pH sensor. The response to changes in the pH of the buffer contacting the PANI nanowire/sol-gel/ITO electrode is blocked by the very low ion permeability of the overlying fluid PSLB. The feasibility of using this assembly to monitor facilitated proton transport across the PSLB was demonstrated by doping the membrane with lipophilic ionophores that respond to a transmembrane pH gradient, which produced an apparent proton permeability several orders of magnitude greater than values measured for undoped lipid bilayers.

  1. Enhancement of corrosion protection efficiency of iron by poly(aniline-co-amino-naphthol-sulphonic acid) nanowires coating in highly acidic medium

    Energy Technology Data Exchange (ETDEWEB)

    Bhandari, Hema [Polymeric and Soft Materials Section National Physical Laboratory (CSIR) Dr. K. S. Krishnan, Road New Delhi, 110 012 (India); Centre for Polymer Science and Engineering, Indian Institute of Technology New Delhi, 110, 016 (India); Srivastav, Ritu [Polymeric and Soft Materials Section National Physical Laboratory (CSIR) Dr. K. S. Krishnan, Road New Delhi, 110 012 (India); Choudhary, Veena [Centre for Polymer Science and Engineering, Indian Institute of Technology New Delhi, 110, 016 (India); Dhawan, S.K., E-mail: skdhawan@mail.nplindia.ernet.i [Polymeric and Soft Materials Section National Physical Laboratory (CSIR) Dr. K. S. Krishnan, Road New Delhi, 110 012 (India)

    2010-11-30

    Nanowires of copolymers film based on aniline and 1-amino-2-naphthol-4-sulphonic acid were electrochemically synthesized on the iron electrode by cyclic voltammetry using oxalic acid as a supporting electrolyte. Protective properties of copolymer film on the iron surface in 1.0 M HCl solution was investigated by chronoamperometry, potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results showed that the copolymer film showed the significant shifting in the corrosion potential and greater charge transfer resistance. Moreover, the copolymer showed the larger degree of surface coverage onto the iron surface, reflecting the higher protection for corrosion of the iron in acidic medium. In addition, the film constitutes a physical as well as a chemical barrier layer due to the presence of -OH and -NH groups in ANSA unit, which provides passivity protection in polymer coatings. The mechanism of corrosion protection of iron by these copolymers was investigated by surface morphology and EIS techniques. In addition, by using scanning electron microscopy, the effect of morphology of copolymer on corrosion protection of metal was investigated.

  2. Treatment of Wastewater Containing Nitrobenzene and Aniline by Biofilter with Immobilized Microorganisms%固定化微生物强化生物滤池处理硝基苯和苯胺废水

    Institute of Scientific and Technical Information of China (English)

    申运栓; 王中友; 叶正芳; 唐鹏; 许晓峰; 曲绍业; 曲建菊; 张戈; 郭玉凤

    2009-01-01

    利用复合微生物菌群BCP35,对自制的大孔功能化载体FPU进行微生物的固定化,并与厌氧生物滤池和好氧生物滤池联用处理含高浓度硝基苯和苯胺的废水,研究了固定化微生物强化生物滤池处理污染物的运行效果、硝基苯和苯胺的降解特征,比较了固定化微生物和游离态微生物的除污性能,同时分析了载体上微生物的状态和生物量.结果表明,固定化微生物强化生物滤池工艺对硝基苯、苯胺具有很好的去除效果,对硝基苯和苯胺的降解率可分别达到99.8%和99.9%;同时生物滤池还对污染物浓度变化具有较强的抗冲击负荷能力;与游离态微生物相比,固定化微生物在去除COD、硝基苯、苯胺等方面更具优势;生物滤池内的微生物浓度较高,可达到38g/L.%The carrier FPU was immobilized with composite microorganisms BCP35 and was adopted to treat wastewater containing high concentration nitrobenzene and aniline in the anaerobic biofilter and aerobic biofiher. The operation effect of the biofilters with the immobilized microorganisms and the degradation of nitrobenzene and aniline were investigated. The pollutant removal efficiency of the immobilized microorganisms and the free microorganisms was compared, and the morphology and biomass of microorganisms on the cartier were analyzed. The results show that the biofilters with the immobilized microorganisms are effective in nitrobenzene and aniline removal. The removal rates of nitrobenzene and aniline are 99.8% and 99.9% respectively. The biofiters have strong resistance to shock loading. The immobilized microorganisms are more dominant in COD, nitrobenzene and aniline removal than the free microorganisms. The concentration of microorganisms in the biofiters is high, reaching 38 g/L.

  3. Investigation on modes of toxic action to rats based on aliphatic and aromatic compounds and comparison with fish toxicity based on exposure routes.

    Science.gov (United States)

    He, Jia; Li, Jin J; Wen, Yang; Tai, Hong W; Yu, Yang; Qin, Wei C; Su, Li M; Zhao, Yuan H

    2015-06-01

    The modes of toxic action (MOAs) play an important role in the assessment of the ecotoxicity of organic pollutants. However, few studies have been reported on the MOAs in rat toxicity. In this paper, the toxic contributions of functional groups in 1255 aromatic compounds were calculated from regression and were then compared with the toxic contributions in aliphatic compounds. The results show that some functional groups have same toxic contributions both in aromatic and aliphatic compounds, but some have not. To investigate the MOAs in rat toxicity, the distribution of toxic ratio (TR) was examined for well-known baseline and less inert compounds and thresholds of log TR=0.3 and 0.5 were used to classify baseline, less inert and reactive compounds. The results showed that some compounds identified as baseline compounds in fish toxicity were also classified as baseline compounds in rat toxicity. Except for phenols and anilines which were identified as less inert compounds in fish toxicity, aromatic compounds with functional groups such as ether, nitrile, nitrophenol, isocyanatoe and chloro were identified as less inert chemicals in rat toxicity. Reactive compounds identified in fish toxicity exhibit greater toxicity to rats. These compounds can undergo nucleophilic substitution, acylation and Schiff base formation with biological macromolecules. The critical body residues (CBRs) calculated from absorption and bioconcentration show that log 1/CBRs in rat toxicity are not equal to that in fish for some compounds. It suggests that the exposure route can affect the identification of MOAs between these two species for these compounds.

  4. Ecotoxicology of organofluorous compounds.

    Science.gov (United States)

    Murphy, Margaret B; Loi, Eva I H; Kwok, Karen Y; Lam, Paul K S

    2012-01-01

    Organofluorous compounds have been developed for myriad purposes in a variety of fields, including manufacturing, industry, agriculture, and medicine. The widespread use and application of these compounds has led to increasing concern about their potential ecological toxicity, particularly because of the stability of the C-F bond, which can result in chemical persistence in the environment. This chapter reviews the chemical properties and ecotoxicology of four groups of organofluorous compounds: fluorinated refrigerants and propellants, per- and polyfluorinated compounds (PFCs), fluorinated pesticides, and fluoroquinolone antibiotics. These groups vary in their environmental fate and partitioning, but each raises concern in terms of ecological risk on both the regional and global scale, particularly those compounds with long environmental half-lives. Further research on the occurrence and toxicities of many of these compounds is needed for a more comprehensive understanding of their ecological effects.

  5. Visible-light-induced, Ir-catalyzed reactions of N-methyl-N-((trimethylsilylmethylaniline with cyclic α,β-unsaturated carbonyl compounds

    Directory of Open Access Journals (Sweden)

    Dominik Lenhart

    2014-04-01

    Full Text Available N-Methyl-N-((trimethylsilylmethylaniline was employed as reagent in visible-light-induced, iridium-catalyzed addition reactions to cyclic α,β-unsaturated carbonyl compounds. Typical reaction conditions included the use of one equivalent of the reaction substrate, 1.5 equivalents of the aniline and 2.5 mol % (in MeOH or 1.0 mol % (in CH2Cl2 [Ir(ppy2(dtbbpy]BF4 as the catalyst. Two major reaction products were obtained in combined yields of 30–67%. One product resulted from aminomethyl radical addition, the other product was a tricyclic compound, which is likely formed by attack of the intermediately formed α-carbonyl radical at the phenyl ring. For five-membered α,β-unsaturated lactone and lactam substrates, the latter products were the only products isolated. For the six-membered lactones and lactams and for cyclopentenone the simple addition products prevailed.

  6. Tris(bis(trimethylsilyl)amido)uranium: Compounds with tri-, tetra-, and penta-valent uranium

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, J.L.

    1988-04-01

    This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U(N(SiMe/sub 3/)/sub 2/)/sub 3/ with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me/sub 2/-C/sub 6/H/sub 3/NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe/sub 3/)/sub 2/ bond length with increase in oxidation state is not observed. Reaction of ClU(N(SiMe/sub 3/)/sub 2/)/sub 3/and Li(NH(p-tolyl)) yields the uranium (IV) dimer, U/sub 2/(N(SiMe/sub 3/)/sub 2/)/sub 4/(..mu..-N(p-tolyl))/sub 2/. Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu/sub 3/CO/sup /minus//, t-Bu/sub 2/CHO/sup /minus//, and t-Bu/sub 3/SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox)/sub 3/ with alkyllithium reagents leads to isolation of RU(tritox)/sub 3/. The reaction of U(ditox)/sub 4/ with MeLi affords the addition product U(ditox)/sub 4/(Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs.

  7. Determination of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Chao, G.K.J.; Suatoni, J.C.

    1982-01-01

    Details are given of a procedure for separation and identification of phenolic compounds in aqueous solution by high-performance liquid chromatography. It can also be applied to non-aqueous samples after preliminary isolation of a polar fraction containing the phenolic compounds.

  8. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    D. A. Konovalov

    2014-01-01

    Full Text Available Polyacetylenes (polyynes are compounds which contain two or more triple bonds in its structure. About 2 000 different polyacetylenes and biogenetically related substances were identified in 24 families of higher plants. However, most of these compounds were found in seven families of flowering plants: Apiaceae (Umbelliferae, Araliaceae, Asteraceae (Compositae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae. Polyacetylenes are relatively unstable, chemically and biologically active compounds, and present in fungi, microorganisms, marine invertebrates and other organisms except for plants. Acetylenes form distinct specialized group of chemically active natural compounds, which are biosynthesized in plants of unsaturated fatty acids. In addition to widespread aliphatic polyacetylenes thiophenes dithiacyclohexadienes (thiarubrines, thioethers, sulphoxides, sulphones, alkamides, chlorohydrins, lactones, spiroacetal enol ethers, furans, pyrans, tetrahydropyrans, isocoumarins, aromatic acetylenes were also found in plant species. Polyacetylenes are localized in different plant organs, and can be found both individually and as a compound with carbohydrates, terpene, phenolic and other compounds. Many polyacetylenes are found in the composition of the essential oils of plants and it confirms their strongly marked ecological functions. From biological point of view these compounds are often synthesized by plants as toxic or bitter antifeedants, allelopathic compounds, phytoalexins or broadly antibiotic components. Polyynes are strong photosensitizers. They exhibit anti-inflammatory, anti-coagulant, anti-bacterial, antituberculosis, anti-fungal, anti-viral, neuroprotective and neurotoxic activity. Immunostimulatory influence associated with certain allergenicity of some of these substances was established. Therefore, without a doubt polyacetylenes are of interest for the modern pharmacy and medicine.

  9. 聚苯胺膜电极在苯胺单体聚合反应中的电催化性能%Study on Electrocatalytic Performance of Polyaniline Film Electrode in Polymerization of Aniline Monomer

    Institute of Scientific and Technical Information of China (English)

    李星玮; 李晓宣; 居明; 赵宝昌

    2001-01-01

    Polyaniline film electrode was prepared by constant potential electrolysis. Effe cts of sweep rate, monomer concentration and temperature on its electrocatalytic performance for polymerization of aniline monomer were studied. Compared with t he blank platinum electrode, the potential of the oxidation polymerization of an iline monomer on the polyaniline film electrode shifted negatively. It is showed that the polyaniline film has obvious catalytic action in the polymerization. I n addition, the redox peak current on polyaniline film electrode linearly depend s on the square root of the potential sweep rate. It is indicated that the elect rode reaction on polyaniline film is controlled by diffusion process.

  10. Study of the rearrangement of N-alkylaniline to p-aminoalkylbencene. I. N-ethyl-l-{sup 1}4C-aniline; Estudio de la transposicion de N-alquilanilinas A p-Aminoalquilbenceno mediante {sup 1}4C

    Energy Technology Data Exchange (ETDEWEB)

    Molera, M. J.; Gamboa, J. M.; Val Cob, M. del

    1961-07-01

    The rearrangement of N-ethylaniline to p-aminoethylbenzene has been studied over the temperature range 200-300 degree centigrade using different catalysts: Cl{sub 2}Co, Cl{sub 2}Zn, Cl{sub 2}Ni, Cl{sub 3}Al, Cl{sub 2}Cd and Br H.N-ethyl-1-{sup 1}4C-aniline has been synthesized from ethyl-1-{sup 1}4C-iodide and aniline and its rearrangement to p-aminoethyl-benzene proves that the ethyl group does not rearrange itself during the reaction. A scheme for the degradation of both the N-ethyl-1-{sup 1}4C aniline and the p-aminoethylbenzene produces is described. (Author) 14 refs.

  11. Performance of the wet oxidation unit of the HPLC isotope ratio mass spectrometry system for halogenated compounds.

    Science.gov (United States)

    Gilevska, Tetyana; Gehre, Matthias; Richnow, Hans Hermann

    2014-08-05

    The performance of liquid chromatography-isotope ratio mass spectrometry (LC-IRMS) for polar halogenated compounds was evaluated. Oxidation capacity of the system was tested with halogenated acetic acids and halogenated aromatic compounds. Acetic acid (AA) was selected as a reference compound for complete oxidation and compared on the molar basis to the oxidation of other analytes. The isotope values were proofed with calibrated δ(13)C values obtained with an elemental analyzer (EA). Correct isotope values were obtained for mono- and dichlorinated, fluorinated, and tribrominated acetic acids and also for aniline, phenol, benzene, bromobenzene, chlorobenzene, 1,2-dichlorobenzene, 2,4,6-trichlorophenol, pentafluorophenol, and nitrobenzene. Incomplete oxidation of trichloroacetic acid (TCA) and trifluoroacetic acid (TFA) resulted in lower recovery compared to AA (37% and 24%, respectively) and in isotopic shift compared to values obtained with EA (TCA Δδ(13)C(EA/LC-IRMS) = 8.8‰, TFA Δδ(13)C(EA/LC-IRMS) = 6.0‰). Improvement of oxidation by longer reaction time in the reactor and increase in the concentration of sulfate radicals did not lead to complete combustion of TCA and TFA needed for δ(13)C analysis. To the best of our knowledge, this is the first time such highly chlorinated compounds were studied with the LC-IRMS system. This work provides information for method development of LC-IRMS methods for halogenated contaminants that are known as potential threats to public health and the environment.

  12. Heart testing compound

    Science.gov (United States)

    Knapp, F.F. Jr.; Goodman, M.M.

    1983-06-29

    The compound 15-(p-(/sup 125/I)-iodophenyl)-6-tellurapentadecanoic acid is disclosed as a myocardial imaging agent having rapid and pronounced uptake, prolonged myocardial retention, and low in vivo deiodination.

  13. Compound Semiconductor Radiation Detectors

    CERN Document Server

    Owens, Alan

    2012-01-01

    Although elemental semiconductors such as silicon and germanium are standard for energy dispersive spectroscopy in the laboratory, their use for an increasing range of applications is becoming marginalized by their physical limitations, namely the need for ancillary cooling, their modest stopping powers, and radiation intolerance. Compound semiconductors, on the other hand, encompass such a wide range of physical and electronic properties that they have become viable competitors in a number of applications. Compound Semiconductor Radiation Detectors is a consolidated source of information on all aspects of the use of compound semiconductors for radiation detection and measurement. Serious Competitors to Germanium and Silicon Radiation Detectors Wide-gap compound semiconductors offer the ability to operate in a range of hostile thermal and radiation environments while still maintaining sub-keV spectral resolution at X-ray wavelengths. Narrow-gap materials offer the potential of exceeding the spectral resolutio...

  14. Compound composite odontoma.

    Science.gov (United States)

    Girish, G; Bavle, Radhika M; Singh, Manish Kumar; Prasad, Sahana N

    2016-01-01

    The term odontoma has been used as a descriptor for any tumor of odontogenic origin. It is a growth in which both epithelial and mesenchymal cells exhibits complete differentiation. Odontomas are considered as hamartomas rather than true neoplasm. They are usually discovered on routine radiographic examination. Odontomas, according to the World Health Organization, are classified into complex odontoma and compound odontomas. The present paper reports a case of compound composite odontomas.

  15. Compound composite odontoma

    Directory of Open Access Journals (Sweden)

    G Girish

    2016-01-01

    Full Text Available The term odontoma has been used as a descriptor for any tumor of odontogenic origin. It is a growth in which both epithelial and mesenchymal cells exhibits complete differentiation. Odontomas are considered as hamartomas rather than true neoplasm. They are usually discovered on routine radiographic examination. Odontomas, according to the World Health Organization, are classified into complex odontoma and compound odontomas. The present paper reports a case of compound composite odontomas.

  16. Chemistry of peroxide compounds

    Science.gov (United States)

    Volnov, I. I.

    1981-01-01

    The history of Soviet research from 1866 to 1967 on peroxide compounds is reviewed. This research dealt mainly with peroxide kinetics, reactivity and characteristics, peroxide production processes, and more recently with superoxides and ozonides and emphasis on the higher oxides of group 1 and 2 elements. Solid state fluidized bed synthesis and production of high purity products based on the relative solubilities of the initial, intermediate, and final compounds and elements in liquid ammonia are discussed.

  17. Phenolic Molding Compounds

    Science.gov (United States)

    Koizumi, Koji; Charles, Ted; de Keyser, Hendrik

    Phenolic Molding Compounds continue to exhibit well balanced properties such as heat resistance, chemical resistance, dimensional stability, and creep resistance. They are widely applied in electrical, appliance, small engine, commutator, and automotive applications. As the focus of the automotive industry is weight reduction for greater fuel efficiency, phenolic molding compounds become appealing alternatives to metals. Current market volumes and trends, formulation components and its impact on properties, and a review of common manufacturing methods are presented. Molding processes as well as unique advanced techniques such as high temperature molding, live sprue, and injection/compression technique provide additional benefits in improving the performance characterisitics of phenolic molding compounds. Of special interest are descriptions of some of the latest innovations in automotive components, such as the phenolic intake manifold and valve block for dual clutch transmissions. The chapter also characterizes the most recent developments in new materials, including long glass phenolic molding compounds and carbon fiber reinforced phenolic molding compounds exhibiting a 10-20-fold increase in Charpy impact strength when compared to short fiber filled materials. The role of fatigue testing and fatigue fracture behavior presents some insight into long-term reliability and durability of glass-filled phenolic molding compounds. A section on new technology outlines the important factors to consider in modeling phenolic parts by finite element analysis and flow simulation.

  18. Assessing Aquatic Ecological Risk of Aniline by Species Sensitivity Distributions%应用物种敏感性分布评估苯胺的水生生态风险

    Institute of Scientific and Technical Information of China (English)

    胡习邦; 曾东; 王俊能; 贺德春; 许振成

    2016-01-01

    Species sensitivity distributions (SSD) method was used to assess the ecological risk of aniline for freshwater organisms. The hazardous concentration for 5% of the species (HC5) was calculated, and the distinguished character of hazardous concentrations of aniline to different species was analyzed. The acute ecological risks of the aniline and the sensitivity of different freshwater species were assessed in the different surface water body in China, including environmental accident water. The results showed that different organisms have different tolerance range of aniline. That was in the order of Molluscas < Arthropod < Algae < Crustacean < Amphibia < Worms < Fishes < Ciliophora < Annelida. The wider tolerance range of aniline for organisms indicated that the increasing trend of ecological risk would slow down when the aniline’s concentration increased. The HC5 for all the species from low to high was in the order of Crustacean < Worms < Fishes < Molluscas < Arthropod < Algae < Amphibia < Ciliophora < Algae < Annelida < Arthropod < Molluscas < Amphibia. The lower HC5 is, the higher ecological risk of aniline for species is. Crustacean was the most sensitive specie among all the freshwater species with the HC5 of 2.29μg·L-1. Meanwhile, the HC5 for all of the freshwater species came up to 4.72μg·L-1. The value of Potential affected fraction (PAF) reflected the different damage degree in different pollution scenario. There was very low aquatic ecological riskby using SSD to assess the acute ecological risk assessment of aniline from several surface water body in China, which the PAF value was close to 0. It was obviously posed ecological damage to crustacean and worms during the aniline spilling accident in Shanxi Province.%应用物种敏感性分布(Species Sensitivity Distribution,SSD)方法构建了淡水生物对苯胺(Aniline)的敏感性分布曲线,计算了苯胺对不同生物的5%危害浓度(HC5),分析比较不同类别生物

  19. Changes in the structure of doped poly aniline (Pani-HCL) due to the process of de-doped;Alteracos na estrutura da polianilina dopada (PAni-HCL) devido ao processo de desdopagem

    Energy Technology Data Exchange (ETDEWEB)

    Gomes, Everton Carlos; Oliveira, Maria Auxiliadora Silva de, E-mail: evertonquimica@gmail.co [Instituto Tecnologico da Aeronautica (ITA), Sao Jose dos Campos, SP (Brazil). Dept. de Engenharia Mecanica e Aeronautica. Lab. de Estudos de Corrosao

    2009-07-01

    The poly aniline (PAni) is much studied, partly due to its relatively ease chemical or electrochemical synthesis, thermal stability in air and redox behavior. The chemical synthesis of poly aniline (PAni) was performed in a medium containing hydrochloric acid (HCl) as a doping agent. After that, the obtained polymer was de-doped in alkaline medium (NH4OH). Thermogravimetric analysis (TG) showed that the doped polymer, PAni-HCl, shows better thermal stability in comparison with the de-doped polymer (PAni-NH4OH). Differential scanning calorimetry (DSC) analyses show that the number of processes occurring during the heating of the polymer, as well as the complexity of them, is much higher in the PAni-HCl than the in the PAni-NH4OH. Through the spectra of FTIR and Raman could conclude that dedoping PAni-HCl was not complete, but the degree of doping of PAni-NH4OH decreased by treatment with ammonium hydroxide. XRD analysis pointed out that as the PAni-HCl as the PAni-NH4OH are partially crystalline. (author)

  20. Study on HPLC and aniline process method in determination of xylan in beer%HPLC与苯胺法测定啤酒中木聚糖的研究

    Institute of Scientific and Technical Information of China (English)

    彭维; 杨幼慧

    2012-01-01

    High performance liquid chromatography(HPLC) and aniline process method were used to determinate concentration of xylan in beer.The recoveries of the standard xylose in beer were 93.36% and 87.85% respectively,and RSD were 1.73% and 2.46% respectively.Experimental results showed that HPLC method had more accurate result than aniline colorimetric method for analyzing the content of xylan in beer.%研究了高效液相色谱法和苯胺法测定啤酒中的木聚糖。色谱法和苯胺法检测啤酒中的木聚糖加标回收率分别为93.36%和87.85%,相对标准偏差RSD值为1.73%和2.46%。结果显示液相色谱法可以准确分析啤酒中木聚糖的含量,优于苯胺比色法。

  1. Highly trifluoromethylated platinum compounds.

    Science.gov (United States)

    Martínez-Salvador, Sonia; Forniés, Juan; Martín, Antonio; Menjón, Babil

    2011-07-11

    The homoleptic, square-planar organoplatinum(II) compound [NBu(4)](2) [Pt(CF(3))(4)] (1) undergoes oxidative addition of CF(3) I under mild conditions to give rise to the octahedral organoplatinum(IV) complex [NBu(4)](2) [Pt(CF(3))(5)I] (2). This highly trifluoromethylated species reacts with Ag(+) salts of weakly coordinating anions in Me(2)CO under a wet-air stream to afford the aquo derivative [NBu(4)][Pt(CF(3))(5) (OH(2))] (4) in around 75% yield. When the reaction of 2 with the same Ag(+) salts is carried out in MeCN, the solvento compound [NBu(4) ][Pt(CF(3))(5)(NCMe)] (5) is obtained in around 80% yield. The aquo ligand in 4 as well as the MeCN ligand in 5 are labile and can be cleanly replaced by neutral and anionic ligands to furnish a series of pentakis(trifluoromethyl)platinate(IV) compounds with formulae [NBu(4)][Pt(CF(3))(5) (L)] (L=CO (6), pyridine (py; 7), tetrahydrothiophene (tht; 8)) and [NBu(4)](2) [Pt(CF(3))(5)X] (X=Cl (9), Br (10)). The unusual carbonyl-platinum(IV) derivative [NBu(4)][Pt(CF(3))(5) (CO)] (6) is thermally stable and has a ν(CO) of 2194 cm(-1). The crystal structures of 2⋅CH(2)Cl(2), 5, [PPh(4) ][Pt(CF(3))(5)(CO)] (6'), and 7 have been established by X-ray diffraction methods. Compound 2 has shown itself to be a convenient entry to the chemistry of highly trifluoromethylated platinum compounds. To the best of our knowledge, compounds 2 and 4-10 are the organoelement compounds with the highest CF(3) content to have been isolated and adequately characterized to date.

  2. 以苯胺为溶剂间歇萃取精馏分离甲醇-乙腈%Separation of methanol-acetonitrile by batch extractive distillation with aniline as solvent

    Institute of Scientific and Technical Information of China (English)

    于洋; 白鹏; 李广忠; 尹琨; 庄琼红

    2012-01-01

    提出和研究了以苯胺作为溶剂的甲醇-乙腈间歇萃取精馏分离工艺。根据溶剂极性相似相溶原理,结合ChemCAD软件模拟汽液平衡和汽液平衡实验确定苯胺为合适的溶剂。结果表明,不仅苯胺能够消除甲醇-乙腈物系的共沸现象,效果优于N,N-二甲基甲酰胺(DMF),而且可以采用Wilson模型对苯胺作为溶剂的甲醇-乙腈共沸物系汽液平衡进行模拟。通过实验考察了间歇萃取精馏的分离效果。采用有33块理论板的填料塔进行间歇萃取精馏甲醇-乙腈共沸混合物分离实验,其中净化回收段填料层3块理论板,萃取精馏段填料层30块理论板,回流比为4,苯胺作为溶剂,溶剂质量比为2.5∶1时,在塔顶得到产品甲醇质量分数为98.97%,高于DMF作为溶剂时的95.76%;表明苯胺更加适合作为萃取精馏分离甲醇-乙腈共沸物系的溶剂。%In this paper,aniline was proposed as the solvent for the separation of the azeotrope methanol-acetonitrile by batch extractive distillation and the process was studied.Aniline was selected as the suitable solvent on the basis of the law of similarity and dissolvability,combined with VLE simulation by ChemCAD software and the VLE experiments.The results show that aniline as the solvent could break the azeotrope and the effects of aniline were better than N,N-dimethylformamide(DMF).The Wilson model was used in VLE simulation.The experiment on the separation of the azeotrope methanol and acetonitrile by batch extractive distillation was carried out with a packed column with 33 theoretical plates among which 3 theoretical plates are in rectifying and recovery section and 30 theoretical plates in extractive distillation section.With the reflux ratio of 4,and the solvent mass ratio of 2.5∶1,the product purity of methanol reaches 98.97%,which is higher than the value of 95.76% when DMF was used as the solvent.It indicates that the extractive distillation with aniline as

  3. Compound semiconductor device physics

    CERN Document Server

    Tiwari, Sandip

    2013-01-01

    This book provides one of the most rigorous treatments of compound semiconductor device physics yet published. A complete understanding of modern devices requires a working knowledge of low-dimensional physics, the use of statistical methods, and the use of one-, two-, and three-dimensional analytical and numerical analysis techniques. With its systematic and detailed**discussion of these topics, this book is ideal for both the researcher and the student. Although the emphasis of this text is on compound semiconductor devices, many of the principles discussed will also be useful to those inter

  4. Removal of organic compounds from water via cloud-point extraction with permethyl hydroxypropyl-[beta]-cyclodextrin

    Energy Technology Data Exchange (ETDEWEB)

    Warner-Schmid, D.; Hoshi, Suwaru; Armstrong, D.W. (Univ. of Missouri, Rolla (United States))

    1993-03-01

    Aqueous solutions of nonionic surfactants are known to undergo phase separations at elevated temperatures. This phenomenon is known as clouding,' and the temperature at which it occurs is refereed to as the cloud point. Permethylhydroxypropyl-[beta]-cyclodextrin (PMHP-[beta]-CD) was synthesized and aqueous solutions containing it were found to undergo similar cloud-point behavior. Factors that affect the phase separation of PMHP-[beta]-CD were investigated. Subsequently, the cloud-point extractions of several aromatic compounds (i.e., acetanilide, aniline, 2,2[prime]-dihydroxybiphenyl, N-methylaniline, 2-naphthol, o-nitroaniline, m-nitroaniline, p-nitroaniline, nitrobenzene, o-nitrophenol, m-nitrophenol, p-nitrophenol, 4-phenazophenol, 3-phenylphenol, and 2-phenylbenzimidazole) from dilute aqueous solution were evaluated. Although the extraction efficiency of the compounds varied, most can be quantitatively extracted if sufficient PMHP-[beta]-CD is used. For those few compounds that are not extracted (e.g., o-nitroacetanilide), the cloud-point procedure may be an effective one-step isolation or purification method. 18 refs., 2 figs., 3 tabs.

  5. Fun with Ionic Compounds

    Science.gov (United States)

    Logerwell, Mollianne G.; Sterling, Donna R.

    2007-01-01

    Ionic bonding is a fundamental topic in high school chemistry, yet it continues to be a concept that students struggle to understand. Even if they understand atomic structure and ion formation, it can be difficult for students to visualize how ions fit together to form compounds. This article describes several engaging activities that help…

  6. Computing compound distributions faster

    NARCIS (Netherlands)

    P. den Iseger; M.A.J. Smith; R. Dekker (Rommert)

    1997-01-01

    textabstractThe use of Panjer's algorithm has meanwhile become a widespread standard technique for actuaries (Kuon et al., 1955). Panjer's recursion formula is used for the evaluation of compound distributions and can be applied to life and general insurance problems. The discrete version of Panjer'

  7. Aminopropyl thiophene compounds

    Science.gov (United States)

    Goodman, Mark M.; Knapp, Jr., Furn F.

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  8. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    A. M. Nasukhova

    2014-01-01

    Full Text Available In article the review of the initial stage of researches of natural polyacetylene compounds is resulted. The high reactionary ability leading to fast oxidation and degradation of these compounds, especially at influence of Uf-light, oxygen of air, pH and other factors, has caused the serious difficulties connected with an establishment of structure and studying of their physical and chemical properties. Therefore the greatest quantity of works of this stage is connected with studying of essential oils of plants from families Apiaceae, Araliaceae, Asteraceae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae where have been found out, basically, diacetylene compounds. About development of physical and chemical methods of the analysis of possibility of similar researches have considerably extended. More than 2000 polyacetylenes are known today, from them more than 1100 are found out in plants fam. Asteraceae. Revolution in the field of molecular biology has allowed to study processes of biosynthesis of these compounds intensively.

  9. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    Fungi produce a variety of volatile organic compounds (VOCs) during their primary or secondary metabolism and with a wide range of functions. The main focus of this research work has been put on flavour molecules that are produced during fermentation processes, mainly esters and alcohols derived...

  10. Toxicity of dipyridyl compounds and related compounds.

    Science.gov (United States)

    Li, Shenggang; Crooks, Peter A; Wei, Xiaochen; de Leon, Jose

    2004-01-01

    Five dipyridyl isomers, 2,2'-, 2,3'-, 2,4'-, 3,3'-, and 4,4'-dipyridyl, are products resulting from the pyrolytic degradation of tobacco products and degradation of the herbicide paraquat, and therefore may be present in the environment. In this article, the toxicological properties of these dipyridyl isomers in humans and animals are reviewed. Epidemiological studies suggest that cancerous skin lesions in workers involved in the manufacturing of paraquat may be associated with exposure to dipyridyl compounds. Experimental animal studies suggest that dipyridyl isomers may have several toxicological effects. Three of the dipyridyl isomers (the 2,2', 2,4', and 4,4' isomers) appear to be inducers of some metabolic enzymes. The 2,2'-dipyridyl isomer, an iron chelator, appears to influence vasospasm in primate models of stroke. The cytotoxic effects of 2,2'-dipyridyl on several leukemia cell lines have been reported, and a potent teratogenic effect of 2,2'-dipyridyl has been observed in rats. Based on the results of paraquat studies in experimental animal models, it has been proposed that paraquat may have deleterious effects on dopaminergic neurons. These findings support the epidemiological evidence that paraquat exposure may be associated with the development of Parkinson's disease. Studies designed to determine an association between paraquat exposure and Parkinson's disease are complicated by the possibility that metabolic changes may influence the neurotoxicity of paraquat and/or its metabolites. Preliminary unpublished data in mice show that 300-mg/kg doses of 2,2'-dipyridyl are neurotoxic, and 300-mg/kg doses of 2,4'- and 4,4'-dipyridyls are lethal. These results are consistent with earlier studies in Sherman rats using high 2,2'- and 4,4'-dipyridyl doses. New studies are needed to further explore the toxicological properties of dipyridyls and their potential public health impact.

  11. Compound semiconductor device modelling

    CERN Document Server

    Miles, Robert

    1993-01-01

    Compound semiconductor devices form the foundation of solid-state microwave and optoelectronic technologies used in many modern communication systems. In common with their low frequency counterparts, these devices are often represented using equivalent circuit models, but it is often necessary to resort to physical models in order to gain insight into the detailed operation of compound semiconductor devices. Many of the earliest physical models were indeed developed to understand the 'unusual' phenomena which occur at high frequencies. Such was the case with the Gunn and IMPATI diodes, which led to an increased interest in using numerical simulation methods. Contemporary devices often have feature sizes so small that they no longer operate within the familiar traditional framework, and hot electron or even quantum­ mechanical models are required. The need for accurate and efficient models suitable for computer aided design has increased with the demand for a wider range of integrated devices for operation at...

  12. Erupted compound odontome

    Directory of Open Access Journals (Sweden)

    Shekar S

    2009-01-01

    Full Text Available Odontomas are considered to be hamartomas rather than a true neoplasm. They consist chiefly of enamel and dentin, with variable amount of pulp and cementum when fully developed. They are generally asymptomatic and are included under the benign calcified odontogenic tumors. They are usually discovered on routine radiographic examination. Eruption of an odontoma in the oral cavity is rare. Peripheral compound odontomas arise extraosseously and have a tendency to exfoliate. In this article we are reporting a case of a 15-year-old girl with peripheral compound odontoma, with a single rudimentary tooth-like structure in the mandibular right second molar region, which is about to be exfoliated. Its eruption in the oral cavity and location in the mandibular posterior region is associated with aplasia of the mandibular right second molar, making it an interesting case for reporting.

  13. Process for compound transformation

    KAUST Repository

    Basset, Jean-Marie

    2016-12-29

    Embodiments of the present disclosure provide for methods of using a catalytic system to chemically transform a compound (e.g., a hydrocarbon). In an embodiment, the method does not employ grafting the catalyst prior to catalysis. In particular, embodiments of the present disclosure provide for a process of hydrocarbon (e.g., C1 to C20 hydrocarbon) metathesis (e.g., alkane, olefin, or alkyne metathesis) transformation, where the process can be conducted without employing grafting prior to catalysis.

  14. atmospheric volatile organic compounds

    Directory of Open Access Journals (Sweden)

    A. R. Koss

    2016-07-01

    organic compounds (VOCs that cannot be ionized with H3O+ ions (e.g., in a PTR-MS or H3O+ CIMS instrument. Here we describe the adaptation of a high-resolution time-of-flight H3O+ CIMS instrument to use NO+ primary ion chemistry. We evaluate the NO+ technique with respect to compound specificity, sensitivity, and VOC species measured compared to H3O+. The evaluation is established by a series of experiments including laboratory investigation using a gas-chromatography (GC interface, in situ measurement of urban air using a GC interface, and direct in situ measurement of urban air. The main findings are that (1 NO+ is useful for isomerically resolved measurements of carbonyl species; (2 NO+ can achieve sensitive detection of small (C4–C8 branched alkanes but is not unambiguous for most; and (3 compound-specific measurement of some alkanes, especially isopentane, methylpentane, and high-mass (C12–C15 n-alkanes, is possible with NO+. We also demonstrate fast in situ chemically specific measurements of C12 to C15 alkanes in ambient air.

  15. Toxicity of platinum compounds.

    Science.gov (United States)

    Hartmann, Jörg Thomas; Lipp, Hans-Peter

    2003-06-01

    Since the introduction of platinum-based combination chemotherapy, particularly cisplatin, the outcome of the treatment of many solid tumours has changed. The leading platinum compounds in cancer chemotherapy are cisplatin, carboplatin and oxaliplatin. They share some structural similarities; however, there are marked differences between them in therapeutic use, pharmacokinetics and adverse effects profiles [1-4]. Compared to cisplatin, carboplatin has inferior efficacy in germ-cell tumour, head and neck cancer and bladder and oesophageal carcinoma, whereas both drugs seem to have comparable efficacy in advanced non-small cell and small cell lung cancer as well as ovarian cancer [5-7]. Oxaliplatin belongs to the group of diaminocyclohexane platinum compounds. It is the first platinum-based drug that has marked efficacy in colorectal cancer when given in combination with 5-fluorouracil and folinic acid [8,9]. Other platinum compounds such as oral JM216, ZD0473, BBR3464 and SPI-77, which is a pegylated liposomal formulation of cisplatin, are still under investigation [10-13], whereas nedaplatin has been approved in Japan for the treatment of non-small cell lung cancer and other solid tumours. This review focuses on cisplatin, carboplatin and oxaliplatin.

  16. Antifungal compounds from cyanobacteria.

    Science.gov (United States)

    Shishido, Tânia K; Humisto, Anu; Jokela, Jouni; Liu, Liwei; Wahlsten, Matti; Tamrakar, Anisha; Fewer, David P; Permi, Perttu; Andreote, Ana P D; Fiore, Marli F; Sivonen, Kaarina

    2015-04-13

    Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  17. Toxic compounds in honey.

    Science.gov (United States)

    Islam, Md Nazmul; Khalil, Md Ibrahim; Islam, Md Asiful; Gan, Siew Hua

    2014-07-01

    There is a wealth of information about the nutritional and medicinal properties of honey. However, honey may contain compounds that may lead to toxicity. A compound not naturally present in honey, named 5-hydroxymethylfurfural (HMF), may be formed during the heating or preservation processes of honey. HMF has gained much interest, as it is commonly detected in honey samples, especially samples that have been stored for a long time. HMF is a compound that may be mutagenic, carcinogenic and cytotoxic. It has also been reported that honey can be contaminated with heavy metals such as lead, arsenic, mercury and cadmium. Honey produced from the nectar of Rhododendron ponticum contains alkaloids that can be poisonous to humans, while honey collected from Andromeda flowers contains grayanotoxins, which can cause paralysis of limbs in humans and eventually leads to death. In addition, Melicope ternata and Coriaria arborea from New Zealand produce toxic honey that can be fatal. There are reports that honey is not safe to be consumed when it is collected from Datura plants (from Mexico and Hungary), belladonna flowers and Hyoscamus niger plants (from Hungary), Serjania lethalis (from Brazil), Gelsemium sempervirens (from the American Southwest), Kalmia latifolia, Tripetalia paniculata and Ledum palustre. Although the symptoms of poisoning due to honey consumption may differ depending on the source of toxins, most common symptoms generally include dizziness, nausea, vomiting, convulsions, headache, palpitations or even death. It has been suggested that honey should not be considered a completely safe food.

  18. Light metal compound casting

    Institute of Scientific and Technical Information of China (English)

    Konrad; J.; M.; PAPIS; Joerg; F.; LOEFFLER; Peter; J.; UGGOWITZER

    2009-01-01

    Compound casting’simplifies joining processes by directly casting a metallic melt onto a solid metal substrate. A continuously metallurgic transition is very important for industrial applications, such as joint structures of spaceframe constructions in transport industry. In this project, ‘compound casting’ of light metals is investigated, aiming at weight-saving. The substrate used is a wrought aluminium alloy of type AA5xxx, containing magnesium as main alloying element. The melts are aluminium alloys, containing various alloying elements (Cu, Si, Zn), and magnesium. By replacing the natural oxygen layer with a zinc layer, the inherent wetting difficulties were avoided, and compounds with flawless interfaces were successfully produced (no contraction defects, cracks or oxides). Electron microscopy and EDX investigations as well as optical micrographs of the interfacial areas revealed their continu- ously metallic constitution. Diffusion of alloying elements leads to heat-treatable microstructures in the vicinity of the joining interfaces in Al-Al couples. This permits significant variability of mechanical properties. Without significantly cutting down on wettability, the formation of low-melting intermetallic phases (Al3Mg2 and Al12Mg17 IMPs) at the interface of Al-Mg couples was avoided by applying a protective coating to the substrate.

  19. Light metal compound casting

    Institute of Scientific and Technical Information of China (English)

    Konrad J.M.PAPIS; Joerg F.LOEFFLER; Peter J.UGGOWITZER

    2009-01-01

    'Compound casting'simplifies joining processes by directly casting a metallic melt onto a solid metal substrate. A continuously metallurgic transition is very important for industrial applications, such as joint structures of spaceframe constructions in transport industry. In this project, 'compound casting' of light metals is investigated, aiming at weight-saving. The substrate used is a wrought aluminium alloy of type AA5xxx, containing magnesium as main alloying element. The melts are aluminium alloys, containing various alloying elements (Cu, Si, Zn), and magnesium. By replacing the natural oxygen layer with a zinc layer, the inherent wetting difficulties were avoided, and compounds with flawless interfaces were successfully produced (no contraction defects, cracks or oxides). Electron microscopy and EDX investigations as well as optical micrographs of the interfacial areas revealed their continu-ously metallic constitution. Diffusion of alloying elements leads to heat-treatable microstructures in the vicinity of the joining interfaces in Al-Al couples. This permits significant variability of mechanical properties. Without significantly cutting down on wettability, the formation of low-melting intermetallic phases (Al3Mg2 and AI12Mg17 IMPs) at the interface of Al-Mg couples was avoided by applying a protec-tive coating to the substrate.

  20. Degradation of aniline by electrocatalytic process with combinated anode and gas diffusion cathode%组合阳极联合气体扩散阴极电催化降解苯胺

    Institute of Scientific and Technical Information of China (English)

    褚衍洋; 王瑶; 张冬梅

    2012-01-01

    采用气体扩散电极为阴极,钛基氧化物(Ti/SnO2-Sb2O5-IrO2)和金属铁构成组合阳极,构建了新型电化学氧化体系用于降解有机污染物。利用该氧化体系,在不同实验条件下考察了苯胺降解的效果与降解过程的相关规律。结果表明,阴极电位、铁阳极通电时间以及苯胺初始浓度均显著影响苯胺的降解效果。当阴极电位为-0.7V,pH3.0,铁阳极通电时间20min时,电化学处理200mg/L苯胺480min,TOC的去除效率达到80.4%,矿化电流效率(MCE)为8.6%,显示了该氧化体系具有良好的有机物降解能力。此外,苯胺降解过程中氨氮和硝态氮浓度的变化表明,苯胺分子中的氮主要转化为NH4和NO3^-。%A novel electrochemical oxidation system using gas diffusion electrode as the cathode, Ti/SnO2- Sb205-IrO2 and Fe as the combinated anode was constructed for the degradation of organic pollutants. The effi- ciency of aniline degradation and the related degradation behaviors were investigated under different experimental conditions by this oxidation system. The results show that the cathodic potential, the time of current passing through Fe anode and the initial concentration of aniline have obvious effects on aniline degradation. Under the conditions of - 0.7 V cathodic potential, pH 3.0 and 20 min for current passing through Fe anode, TOC remov- al rate was 80.4% by the treatment of 480 min for 200 mg/L aniline solution and a mineralization current effi- ciency of 8.6% could be obtained, which indicated that the oxidation system had a fine ability for organics deg- radation. In addition, the variation of ammonium and nitrate nitrogen concentration revealed that the original ni- trogen was mainly transformed into NH4 and NO3-.

  1. 微波/CIO《,2》体系降解水中苯胺的研究%Study on Decomposition of Aniline in Water by Microwave/Chlorine Dioxide

    Institute of Scientific and Technical Information of China (English)

    曹福; 顾海英

    2011-01-01

    以苯胺为研究对象,对微波/CIO体系降解苯胺的过程进行了研究,分别考察了微波功率、微波辐照时间、CIO投加量、初始pH和CIO反应时间对苯胺降解的影响规律.结果表明,微波/CIO体系适宜处理苯胺浓度较低的废水,在微波功率500 W、辐照时间10min、CIO:投加量180 mg/L,初始pH 5时效果较优.微波/CIO体系降解水中苯胺具有协同作用,出水满足(GB8978-1996)中3级标准.%Taking aniline as study object,degradation of aniline in water by microwave/chlorine dioxide system was explored. The effect of microwave power, irradiation time of microwave, CIO2 dose, initial pH value and reaction time of CIO2 on the degradation efficiency were studied.The results indicated that degradation efficiency was found to be the largest when microwave power was 500 W, irradiation time of microwave was 10min,CIO2 was 180 mg/L and initial pH value was 5. The synergistic effects existed between microwave and CIO2. The effluent quality met the third grade criteria of integrated wastewater discharge standard (GB8978 - 1996).

  2. Complete doping in solid-state by silica-supported perchloric acid as dopant solid acid: Synthesis and characterization of the novel chiral composite of poly [(±)-2-(sec-butyl) aniline

    Energy Technology Data Exchange (ETDEWEB)

    Farrokhzadeh, Abdolkarim; Modarresi-Alam, Ali Reza, E-mail: modaresi@chem.usb.ac.ir

    2016-05-15

    Poly [(±)-2-(sec-butyl) aniline]/silica-supported perchloric acid composites were synthesized by combination of poly[(±)-2-sec-butylaniline] base (PSBA) and the silica-supported perchloric acid (SSPA) as dopant solid acid in solid-state. The X-ray photoelectron spectroscopy (XPS) and CHNS results confirm nigraniline oxidation state and complete doping for composites (about 75%) and non-complete for the PSBA·HCl salt (about 49%). The conductivity of samples was (≈0.07 S/cm) in agreement with the percent of doping obtained of the XPS analysis. Also, contact resistance was determined by circular-TLM measurement. The morphology of samples by the scanning electron microscopy (SEM) and their coating were investigated by XPS, SEM-map and energy-dispersive X-ray spectroscopy (EDX). The key benefits of this work are the preparation of conductive chiral composite with the delocalized polaron structure under green chemistry and solid-state condition, the improvement of the processability by inclusion of the 2-sec-butyl group and the use of dopant solid acid (SSPA) as dopant. - Highlights: • The solid-state synthesis of the novel chiral composites of poly[(±)-2-(sec-butyl)aniline] (PSBA) and silica-supported perchloric acid (SSPA). • It takes 120 h for complete deprotonation of PSBA.HCl salt. • Use of SSPA as dopant solid acid for the first time to attain the complete doping of PSBA. • The coating of silica surface with PSBA.

  3. Impacts of three different hypersaline aniline-containing waste water compositions on the bacterial community structure%三种高盐苯胺废水对细菌群落结构的影响

    Institute of Scientific and Technical Information of China (English)

    余彬彬; 李钧敏; 金则新

    2009-01-01

    In order to reveal the molecular mechanism of how high-salinity aniline-containing waste water affects the bacterial community structure, the PCR-DGGE technique was used to analyse the change of the bacterial community structure acclimated to three different hypersaline aniline-containing waste waters, with different content of chemical oxygen demand (COD), salts, phosphorus, nitrogen, chloride and aniline. The results were as follows. During acclimation to No. 2 waste water, the bacterial community diversity indices decreased when the concentration of waste water increased. During acclimation to No. 1 waste water, bacterial diversity was the highest in 5% waste water, while those in 20% and 40% were the lowest. During acclimation to No. 3 waste water, diversities in 0% and 5% of waste water were the highest, while those in 20% were the lowest. The different waste water compositions had different effects on the bacterial community diversity, indicating that adaptation and mutation might play important roles in the relationship between bacteria and their environment. The bacterial community diversity indices correlated negatively with the concentration of COD and salinity, but not with the concentration of chloride and aniline. The genetic variation of bacteria acclimated to three different high-salinity aniline-containing waste waters was very high: the percentage of polymorphic bands, Shannon′s informative index and Nei′s gene diversity index of bacteria acclimated to No. 3 waste water was the highest, while those of bacteria acclimated to No. 1 waste water took second place and those of bacteria acclimated to No. 2 waste water was the lowest. The genetic diversity indices were not significantly correlated with the concentration of COD, salinity, chloride or aniline. This suggested that the change of the bacterial community diversity might not due to a single factor rather to the integrated effects of all the contaminants in the waste water. The pairwise

  4. EGFR inhibitors identified as a potential treatment for chordoma in a focused compound screen.

    Science.gov (United States)

    Scheipl, Susanne; Barnard, Michelle; Cottone, Lucia; Jorgensen, Mette; Drewry, David H; Zuercher, William J; Turlais, Fabrice; Ye, Hongtao; Leite, Ana P; Smith, James A; Leithner, Andreas; Möller, Peter; Brüderlein, Silke; Guppy, Naomi; Amary, Fernanda; Tirabosco, Roberto; Strauss, Sandra J; Pillay, Nischalan; Flanagan, Adrienne M

    2016-07-01

    Chordoma is a rare malignant bone tumour with a poor prognosis and limited therapeutic options. We undertook a focused compound screen (FCS) against 1097 compounds on three well-characterized chordoma cell lines; 154 compounds were selected from the single concentration screen (1 µm), based on their growth-inhibitory effect. Their half-maximal effective concentration (EC50 ) values were determined in chordoma cells and normal fibroblasts. Twenty-seven of these compounds displayed chordoma selective cell kill and 21/27 (78%) were found to be EGFR/ERBB family inhibitors. EGFR inhibitors in clinical development were then studied on an extended cell line panel of seven chordoma cell lines, four of which were sensitive to EGFR inhibition. Sapitinib (AstraZeneca) emerged as the lead compound, followed by gefitinib (AstraZeneca) and erlotinib (Roche/Genentech). The compounds were shown to induce apoptosis in the sensitive cell lines and suppressed phospho-EGFR and its downstream pathways in a dose-dependent manner. Analysis of substituent patterns suggested that EGFR-inhibitors with small aniline substituents in the 4-position of the quinazoline ring were more effective than inhibitors with large substituents in that position. Sapitinib showed significantly reduced tumour growth in two xenograft mouse models (U-CH1 xenograft and a patient-derived xenograft, SF8894). One of the resistant cell lines (U-CH2) was shown to express high levels of phospho-MET, a known bypass signalling pathway to EGFR. Neither amplifications (EGFR, ERBB2, MET) nor mutations in EGFR, ERBB2, ERBB4, PIK3CA, BRAF, NRAS, KRAS, PTEN, MET or other cancer gene hotspots were detected in the cell lines. Our findings are consistent with the reported (p-)EGFR expression in the majority of clinical samples, and provide evidence for exploring the efficacy of EGFR inhibitors in the treatment of patients with chordoma and studying possible resistance mechanisms to these compounds in vitro and in vivo. © 2016

  5. Offset Compound Gear Drive

    Science.gov (United States)

    Stevens, Mark A.; Handschuh, Robert F.; Lewicki, David G.

    2010-01-01

    The Offset Compound Gear Drive is an in-line, discrete, two-speed device utilizing a special offset compound gear that has both an internal tooth configuration on the input end and external tooth configuration on the output end, thus allowing it to mesh in series, simultaneously, with both a smaller external tooth input gear and a larger internal tooth output gear. This unique geometry and offset axis permits the compound gear to mesh with the smaller diameter input gear and the larger diameter output gear, both of which are on the same central, or primary, centerline. This configuration results in a compact in-line reduction gear set consisting of fewer gears and bearings than a conventional planetary gear train. Switching between the two output ratios is accomplished through a main control clutch and sprag. Power flow to the above is transmitted through concentric power paths. Low-speed operation is accomplished in two meshes. For the purpose of illustrating the low-speed output operation, the following example pitch diameters are given. A 5.0 pitch diameter (PD) input gear to 7.50 PD (internal tooth) intermediate gear (0.667 reduction mesh), and a 7.50 PD (external tooth) intermediate gear to a 10.00 PD output gear (0.750 reduction mesh). Note that it is not required that the intermediate gears on the offset axis be of the same diameter. For this example, the resultant low-speed ratio is 2:1 (output speed = 0.500; product of stage one 0.667 reduction and stage two 0.750 stage reduction). The design is not restricted to the example pitch diameters, or output ratio. From the output gear, power is transmitted through a hollow drive shaft, which, in turn, drives a sprag during which time the main clutch is disengaged.

  6. Oligosilanylated Antimony Compounds

    Science.gov (United States)

    2015-01-01

    By reactions of magnesium oligosilanides with SbCl3, a number of oligosilanylated antimony compounds were obtained. When oligosilanyl dianions were used, either the expected cyclic disilylated halostibine was obtained or alternatively the formation of a distibine was observed. Deliberate formation of the distibine from the disilylated halostibine was achieved by reductive coupling with C8K. Computational studies of Sb–Sb bond energies, barriers of pyramidal inversion at Sb, and the conformational behavior of distibines provided insight for the understanding of the spectroscopic properties. PMID:25937691

  7. Special Risks of Pharmacy Compounding

    Science.gov (United States)

    ... Consumer Updates RSS Feed The Special Risks of Pharmacy Compounding Get Consumer Updates by E-mail Consumer ... page: A Troubling Trend What You Can Do Pharmacy compounding is a practice in which a licensed ...

  8. 含氮化合物碱性强弱的量子力学研究%Quantum mechanical studies on basieity of nitrogen-containing compounds

    Institute of Scientific and Technical Information of China (English)

    王丽新; 沈喜洲; 周涵; 代振宇

    2009-01-01

    -spectively. It suggests that aliphatic amines and nonaromatic heterocycles are more basic than pyridines or aromatic amines, and all these compounds are more basic than pyrroles. The protonation energies of N-alkyl anilines are reduced from -595 kJ/mol to -610 k J/tool with carbon atoms in alkyl chain from zero to six to indicate that the basicity of N-alkyl anilines increase with length of alkyl. While the length continues increasing, the protonation energies of N-alkyl anilines change little, so their basicities are hardly affected by alkyl chain. The fusion of the aromatic rings may differently influence the basicities of 5- and 6-membered aromatic heterocyclic compounds. The base difference among the various nitrogen-containing compounds is perhaps attributed to their structures, especially the distribution of electron density. The electron delocalization may shift the basicity greatly.

  9. High temperature superconducting compounds

    Science.gov (United States)

    Goldman, Allen M.

    1992-11-01

    The major accomplishment of this grant has been to develop techniques for the in situ preparation of high-Tc superconducting films involving the use of ozone-assisted molecular beam epitaxy. The techniques are generalizable to the growth of trilayer and multilayer structures. Films of both the DyBa2Cu3O(7-x) and YBa2Cu3O(7-x) compounds as well as the La(2-x)Sr(x)CuO4 compound have been grown on the usual substrates, SrTiO3, YSZ, MgO, and LaAlO3, as well as on Si substrates without any buffer layer. A bolometer has been fabricated on a thermally isolated SiN substrate coated with YSZ, an effort carried out in collaboration with Honeywell Inc. The deposition process facilitates the fabrication of very thin and transparent films creating new opportunities for the study of superconductor-insulator transitions and the investigation of photo-doping with carriers of high temperature superconductors. In addition to a thin film technology, a patterning technology has been developed. Trilayer structures have been developed for FET devices and tunneling junctions. Other work includes the measurement of the magnetic properties of bulk single crystal high temperature superconductors, and in collaboration with Argonne National Laboratory, measurement of electric transport properties of T1-based high-Tc films.

  10. Optimizing Synthetic Aperture Compound Imaging

    DEFF Research Database (Denmark)

    Hansen, Jens Munk; Jensen, Jørgen Arendt

    2012-01-01

    Spatial compound images are constructed from synthetic aperture data acquired using a linear phased-array transducer. Compound images of wires, tissue, and cysts are created using a method, which allows both transmit and receive compounding without any loss in temporal resolution. Similarly to co...

  11. Xenobiotic organic compounds in wastewater

    DEFF Research Database (Denmark)

    Eriksson, Eva; Baun, Anders; Henze, Mogens

    2002-01-01

    Information regarding the contents of xenobiotic organic compounds (XOCs) in wastewater is limited, but it has been shown that at least 900 different compounds / compound groups could potentially be present in grey wastewater. Analyses of Danish grey wastewater revealed the presence of several...

  12. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R

    1961-01-01

    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  13. Synthetic Aperture Compound Imaging

    DEFF Research Database (Denmark)

    Hansen, Jens Munk

    Medical ultrasound imaging is used for many purposes, e.g. for localizing and classifying cysts, lesions, and other processes. Almost any mass is first observed using B-mode imaging and later classified using e.g. color flow, strain, or attenuation imaging. It is therefore important that the B....... The method is investigated using simulations and through measurements using both phased array and convex array transducers. The images all show an improved contrast compared to images without compounding, and by construction, imaging using an improved frame rate is possible. Using a phased array transducer...... and the limiting factor is the amount of memory IO resources available. An equally high demand for memory throughput is found in the computer gaming industry, where a large part of the processing takes place on the graphics processing unit (GPU). Using the GPU, a framework for synthetic aperture imaging...

  14. Tin compounds and insect fauna

    Energy Technology Data Exchange (ETDEWEB)

    Butovskiy, R.O.

    1985-03-01

    A review of the literature of tin compounds serving as pesticides has resulted in the identification of 11 widely used compounds, both organic and inorganic, with largely fungicidal activity. Organotin compounds seem to be limited in use to the control of insect pests, with the majority of the compounds consisting of Sn(IV) and falling into the following four categories: R/sub 4/Sn, R/sub 3/SNX, R/sub 2/SnX/sub 2/, and RSnX/sub 3/, where R = aliphatic or aromatic hydrocarbon radicals, and X = organic or inorganic substituent. The insecticidal activity of these compounds appears to rest on inhibition of ATPase and uncoupling of oxidative phosphorylation. As a result, these compounds act as larvicides, ovicides and imagocides. 77 references.

  15. Public chemical compound databases.

    Science.gov (United States)

    Williams, Anthony J

    2008-05-01

    The internet has rapidly become the first port of call for all information searches. The increasing array of chemistry-related resources that are now available provides chemists with a direct path to the information that was previously accessed via library services and was limited by commercial and costly resources. The diversity of the information that can be accessed online is expanding at a dramatic rate, and the support for publicly available resources offers significant opportunities in terms of the benefits to science and society. While the data online do not generally meet the quality standards of manually curated sources, there are efforts underway to gather scientists together and 'crowdsource' an improvement in the quality of the available data. This review discusses the types of public compound databases that are available online and provides a series of examples. Focus is also given to the benefits and disruptions associated with the increased availability of such data and the integration of technologies to data mine this information.

  16. Potential Risks of Pharmacy Compounding

    OpenAIRE

    Gudeman, Jennifer; Jozwiakowski, Michael; Chollet, John; Randell, Michael

    2013-01-01

    Pharmacy compounding involves the preparation of customized medications that are not commercially available for individual patients with specialized medical needs. Traditional pharmacy compounding is appropriate when done on a small scale by pharmacists who prepare the medication based on an individual prescription. However, the regulatory oversight of pharmacy compounding is significantly less rigorous than that required for Food and Drug Administration (FDA)-approved drugs; as such, compoun...

  17. Sesquiterpene compounds from Inula viscosa.

    Science.gov (United States)

    Fontana, Gianfranco; La Rocca, Salvatore; Passannanti, Salvatore; Paternostro, Maria Pia

    2007-07-20

    Two new compounds, 2,5-dihydroxyisocostic acid and 2,3-dihydroxycostic acid together with three known sesquiterpene compounds, Isocostic acid, Carabrone and Tomentosin, have been isolated from the acetone extract of Inula viscosa (L.) Aiton. The structures of all new compounds were determined by spectroscopic methods, in particular 1D and 2D (1)H- and (13)C-NMR. The (13)C-NMR spectra of Isocostic acid and of Tomentosin are reported here for the first time.

  18. Experimental research on pretreatment of aniline saline simulation wastewater by distillation process%蒸馏法预处理含盐苯胺模拟废液的实验研究

    Institute of Scientific and Technical Information of China (English)

    金鑫; 汪向阳; 陈金思; 徐玉福; 胡献国

    2013-01-01

    废液中含有大量盐分会不利于废液的焚烧,焚烧前对其进行预处理十分必要.文章通过蒸馏法研究了含盐苯胺模拟废液的焚烧前预处理过程.结果表明:COD的去除率和有机物析出率与氯化钠的初始质量浓度有关,当氯化钠的初始质量浓度为20 g/L时COD的去除率最高;有机物析出率随氯化钠初始质量浓度的增加而增加,当氯化钠初始质量浓度达到40 g/L后,有机物的析出率大约保持在48%不再变化;蒸馏过程中钠离子的去除率稳定在98%左右;钠离子和氯离子不是以氯化钠的形式析出,而是以各自离子形态析出.%Aniline saline wastewater with a lot of salts is not conducive to the incineration treatment and the pretreatment before incineration is necessary.The pretreatment process of aniline saline wastewater by distillation before incineration was studied.The results showed that the COD removal ratio and the organic precipitation ratio related to the initial mass concentration of NaC1.The COD removal ratio reached the highest when the initial mass concentration of NaCl is 20 g/L; the organic precipitation ratio increased with the addition of the initial mass concentration of NaC1,the organic precipitation ratio could reach 48% when the initial mass concentration of NaC1 is 40 g/L,then no longer changed; the desalination ratio of wastewater reached 98% stably during distillation process; and both ions of sodium and chlorine were separated out not in sodium chloride but in ion-state during distillation process.

  19. Resonance-enhanced multiphoton ionization time-of-flight mass spectrometry for detection of nitrogen containing aliphatic and aromatic compounds: resonance-enhanced multiphoton ionization spectroscopic investigation and on-line analytical application.

    Science.gov (United States)

    Streibel, T; Hafner, K; Mühlberger, F; Adam, T; Zimmermann, R

    2006-01-01

    Resonance-enhanced multiphoton ionization (REMPI) combined with time-of-flight mass spectrometry (TOFMS) is an analytical method capable of on-line monitoring of trace compounds in complex matrices. A necessary prerequisite for substance selective detection is spectroscopic investigation of the target molecules. Several organic nitrogen compounds comprising aliphatic and aromatic amines, nitrogen heterocyclic compounds, and aromatic nitriles are spectroscopically investigated with a tunable narrow bandwidth optical parametric oscillator (OPO) laser system providing a scannable wavelength range between 220 and 340 nm. These species are known as possible precursors in fuel-NO formation from combustion of solid fuels such as biomass and waste. A newly conceived double inlet system was used in this study, which allows rapid change between effusive and supersonic molecular beams. The resulting REMPI spectra of the compounds are discussed with respect to electronic transitions that could be utilized for a selective ionization of these compounds in complex mixtures such as combustion and process gases. The practicability of this approach is demonstrated by wavelength selected on-line REMPI-TOFMS detection of aniline and cyanonaphthalene in the burning chamber of a waste incineration plant. REMPI mass spectra recorded at different excitation wavelengths as well as variations in time show the utilization of species-selective REMPI-TOFMS detection for on-line monitoring of crucial substances in pollutant formation.

  20. Transition Metal Compounds Towards Holography

    Directory of Open Access Journals (Sweden)

    Volker Dieckmann

    2012-06-01

    Full Text Available We have successfully proposed the application of transition metal compounds in holographic recording media. Such compounds feature an ultra-fast light-induced linkage isomerization of the transition-metal–ligand bond with switching times in the sub-picosecond regime and lifetimes from microseconds up to hours at room temperature. This article highlights the photofunctionality of two of the most promising transition metal compounds and the photophysical mechanisms that are underlying the hologram recording. We present the latest progress with respect to the key measures of holographic media assembled from transition metal compounds, the molecular embedding in a dielectric matrix and their impressive potential for modern holographic applications.

  1. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Pasquale Montemurro

    2011-02-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  2. Saturn's Stratospheric Oxygen Compounds

    Science.gov (United States)

    Romani, Paul N.; Delgado Díaz, Héctor E.; Bjoraker, Gordon; Hesman, Brigette; Achterberg, Richard

    2016-10-01

    There are three known oxygenated species present in Saturn's upper atmosphere: H2O, CO and CO2. The ultimate source of the water must be external to Saturn as Saturn's cold tropopause effectively prevents any internal water from reaching the upper atmosphere. The carbon monoxide and dioxide source(s) could be internal, external, produced by the photochemical interaction of water with Saturn's stratospheric hydrocarbons or some combination of all of these. At this point it is not clear what the external source(s) are.Cassini's Composite InfraRed Spectrometer (CIRS) has detected emission lines of H2O and CO2 (Hesman et al., DPS 2015, 311.16 & Abbas et al. 2013, Ap. J. doi:10.1088/0004-637X/776/2/73) on Saturn. CIRS also retrieves the temperature of the stratosphere using CH4 lines at 7.7 microns. Using CIRS retrieved temperatures, the mole fraction of H2O at the 0.5-5 mbar level can be retrieved and the CO2 mole fraction at ~1-10 mbar. Coupled with ground based observations of CO (Cavalié et al., 2010, A&A, DOI: 10.1051/0004-6361/200912909) these observations provide a complete oxygen compound data set to test photochemical models.Preliminary results will be presented with an emphasis on upper limit analysis to determine the percentage of stratospheric CO and CO2 that can be produced photochemically from CIRS observational constraints on the H2O profile.

  3. Antimicrobial compounds in tears.

    Science.gov (United States)

    McDermott, Alison M

    2013-12-01

    The tear film coats the cornea and conjunctiva and serves several important functions. It provides lubrication, prevents drying of the ocular surface epithelia, helps provide a smooth surface for refracting light, supplies oxygen and is an important component of the innate defense system of the eye providing protection against a range of potential pathogens. This review describes both classic antimicrobial compounds found in tears such as lysozyme and some more recently identified such as members of the cationic antimicrobial peptide family and surfactant protein-D as well as potential new candidate molecules that may contribute to antimicrobial protection. As is readily evident from the literature review herein, tears, like all mucosal fluids, contain a plethora of molecules with known antimicrobial effects. That all of these are active in vivo is debatable as many are present in low concentrations, may be influenced by other tear components such as the ionic environment, and antimicrobial action may be only one of several activities ascribed to the molecule. However, there are many studies showing synergistic/additive interactions between several of the tear antimicrobials and it is highly likely that cooperativity between molecules is the primary way tears are able to afford significant antimicrobial protection to the ocular surface in vivo. In addition to effects on pathogen growth and survival some tear components prevent epithelial cell invasion and promote the epithelial expression of innate defense molecules. Given the protective role of tears a number of scenarios can be envisaged that may affect the amount and/or activity of tear antimicrobials and hence compromise tear immunity. Two such situations, dry eye disease and contact lens wear, are discussed here.

  4. Process for demethylating dimethylsulfonium compounds

    NARCIS (Netherlands)

    Hansen, Theo; van der Maarel, Marc

    1998-01-01

    PCT No. PCT/EP94/01640 Sec. 371 Date Nov. 14, 1995 Sec. 102(e) Date Nov. 14, 1995 PCT Filed May 16, 1994 PCT Pub. No. WO94/26918 PCT Pub. Date Nov. 24, 1994Process for preparing S-methylmercapto and mercapto compounds comprising the step of demethylating a dimethylsulfonium compound of formula I to

  5. Cytotoxic Compounds from Zanthoxylum Americanum

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Four pyranocoumarins: dipetaline, alloxanthoxyletin, xanthoxyletin, and xanthyletin, and two lignans: sesamin and asarinin were isolated from the northern prickly ash, Zanthoxylum americanum. To varying degrees, all six compounds inhibited the incorporation of tritiated thymidine into human leukemia (HL-60) cells and the inhibitory effect was dependent on the structures of the isolated compounds.

  6. Testing of Experimental Antileishmanial Compounds.

    Science.gov (United States)

    1994-10-19

    administrative and clerical assistance and Ms. Barbara L. Harris, Laboratory Technician II, for technical assistance with this study. Their efforts are appreciated...braziliensis) leishmaniasis . Although several new compounds have been identified with activity against L. (V.) braziliensis, none have shown adequate promise...to warrant initiation of clinical trials. However, among the most promising active compounds found against visceral leishmaniasis during these

  7. Electrochemical reactions of organosilicon compounds

    Science.gov (United States)

    Jouikov, Vyacheslav V.

    1997-06-01

    Data on the processes of electrochemical reduction and oxidation of organosilicon compounds of various classes as well as on the interaction of these compounds with electrically generated reagents are generalised and surveyed systematically. The electrochemical reactivity of organic derivatives of silicon is considered taking into account their structures and reaction conditions. The bibliography includes 245 references.

  8. II-VI semiconductor compounds

    CERN Document Server

    1993-01-01

    For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

  9. Assimilation of Unusual Carbon Compounds

    Science.gov (United States)

    Middelhoven, Wouter J.

    Yeast taxa traditionally are distinguished by growth tests on several sugars and organic acids. During the last decades it became apparent that many yeast species assimilate a much greater variety of naturally occurring carbon compounds as sole source of carbon and energy. These abilities are indicative of a greater role of yeasts in the carbon cycle than previously assumed. Especially in acidic soils and other habitats, yeasts may play a role in the degradation of carbon compounds. Such compounds include purines like uric acid and adenine, aliphatic amines, diamines and hydroxyamines, phenolics and other benzene compounds and polysaccharides. Assimilation of purines and amines is a feature of many ascomycetes and basidiomycetes. However, benzene compounds are degraded by only a few ascomycetous yeasts (e.g. the Stephanoascus/ Blastobotrys clade and black yeastlike fungi) but by many basidiomycetes, e.g. Filobasidiales, Trichosporonales, red yeasts producing ballistoconidia and related species, but not by Tremellales. Assimilation of polysaccharides is wide-spread among basidiomycetes

  10. Bilayer Effects of Antimalarial Compounds.

    Directory of Open Access Journals (Sweden)

    Nicole B Ramsey

    Full Text Available Because of the perpetual development of resistance to current therapies for malaria, the Medicines for Malaria Venture developed the Malaria Box to facilitate the drug development process. We tested the 80 most potent compounds from the box for bilayer-mediated effects on membrane protein conformational changes (a measure of likely toxicity in a gramicidin-based stopped flow fluorescence assay. Among the Malaria Box compounds tested, four compounds altered membrane properties (p< 0.05; MMV007384 stood out as a potent bilayer-perturbing compound that is toxic in many cell-based assays, suggesting that testing for membrane perturbation could help identify toxic compounds. In any case, MMV007384 should be approached with caution, if at all.

  11. Complex chemistry with complex compounds

    Directory of Open Access Journals (Sweden)

    Eichler Robert

    2016-01-01

    Full Text Available In recent years gas-phase chemical studies assisted by physical pre-separation allowed for the investigation of fragile single molecular species by gas-phase chromatography. The latest success with the heaviest group 6 transactinide seaborgium is highlighted. The formation of a very volatile hexacarbonyl compound Sg(CO6 was observed similarly to its lighter homologues molybdenum and tungsten. The interactions of these gaseous carbonyl complex compounds with quartz surfaces were investigated by thermochromatography. Second-generation experiments are under way to investigate the intramolecular bond between the central metal atom of the complexes and the ligands addressing the influence of relativistic effects in the heaviest compounds. Our contribution comprises some aspects of the ongoing challenging experiments as well as an outlook towards other interesting compounds related to volatile complex compounds in the gas phase.

  12. A comparative study of the inhibition effects of benzotriazole and 6-aniline-1,3,5-triazine-2,4-dithiol monosodium salt on the corrosion of copper by potentiodynamic polarization, AC impedance and surface-enhanced Raman spectroscopic techniques

    Science.gov (United States)

    Zhou, Guoding; Cai, Shengmin; Song, Liqun; Yang, Huaquan; Fujishima, A.; Ibrahim, A.; Lee, Y. G.; Loo, B. H.

    1991-11-01

    The inhibition effects of benzotriazole (BTA) and 6-aniline-1,3,5-triazine-2,4-dithiol (ATD) monosodium salt on copper corrosion have been studied by the potentiodynamic polarization, AC impedance and surface-enhanced Raman spectroscopic techniques. The polarization resistance Rp increases with the concentration of either BTA or ATD. From the plots of the phase shift θ versus logarithm of the frequency, it is found that θ is close to 90° after the copper electrode is immersed for a long period of time in BTA-containing solution which indicates the behavior of an ideal capacitor. In ATD-containing solutions, θ is close to 45 ° which shows the appearance of a Warburg impedance for a diffusion process. Surface-enhanced Raman spectroscopic studies of the competitive adsorption of BTA and ATD on copper surfaces indicate that BTA adsorbs better than ATD. Based on these results, it is concluded that the inhibition action of BTA is better than that of ATD.

  13. Bacterial conversion of hydroxylamino aromatic compounds by both lyase and mutase enzymes involves intramolecular transfer of hydroxyl groups.

    Science.gov (United States)

    Nadeau, Lloyd J; He, Zhongqi; Spain, Jim C

    2003-05-01

    Hydroxylamino aromatic compounds are converted to either the corresponding aminophenols or protocatechuate during the bacterial degradation of nitroaromatic compounds. The origin of the hydroxyl group of the products could be the substrate itself (intramolecular transfer mechanism) or the solvent water (intermolecular transfer mechanism). The conversion of hydroxylaminobenzene to 2-aminophenol catalyzed by a mutase from Pseudomonas pseudoalcaligenes JS45 proceeds by an intramolecular hydroxyl transfer. The conversions of hydroxylaminobenzene to 2- and 4-aminophenol by a mutase from Ralstonia eutropha JMP134 and to 4-hydroxylaminobenzoate to protocatechuate by a lyase from Comamonas acidovorans NBA-10 and Pseudomonas sp. strain 4NT were proposed, but not experimentally proved, to proceed by the intermolecular transfer mechanism. GC-MS analysis of the reaction products formed in H(2)(18)O did not indicate any (18)O-label incorporation during the conversion of hydroxylaminobenzene to 2- and 4-aminophenols catalyzed by the mutase from R. eutropha JMP134. During the conversion of 4-hydroxylaminobenzoate catalyzed by the hydroxylaminolyase from Pseudomonas sp. strain 4NT, only one of the two hydroxyl groups in the product, protocatechuate, was (18)O labeled. The other hydroxyl group in the product must have come from the substrate. The mutase in strain JS45 converted 4-hydroxylaminobenzoate to 4-amino-3-hydroxybenzoate, and the lyase in Pseudomonas strain 4NT converted hydroxylaminobenzene to aniline and 2-aminophenol but not to catechol. The results indicate that all three types of enzyme-catalyzed rearrangements of hydroxylamino aromatic compounds proceed via intramolecular transfer of hydroxyl groups.

  14. Membrane rejection of nitrogen compounds

    Science.gov (United States)

    Lee, S.; Lueptow, R. M.

    2001-01-01

    Rejection characteristics of nitrogen compounds were examined for reverse osmosis, nanofiltration, and low-pressure reverse osmosis membranes. The rejection of nitrogen compounds is explained by integrating experimental results with calculations using the extended Nernst-Planck model coupled with a steric hindrance model. The molecular weight and chemical structure of nitrogen compounds appear to be less important in determining rejection than electrostatic properties. The rejection is greatest when the Donnan potential exceeds 0.05 V or when the ratio of the solute radius to the pore radius is greater than 0.8. The transport of solute in the pore is dominated by diffusion, although convective transport is significant for organic nitrogen compounds. Electromigration contributes negligibly to the overall solute transport in the membrane. Urea, a small organic compound, has lower rejection than ionic compounds such as ammonium, nitrate, and nitrite, indicating the critical role of electrostatic interaction in rejection. This suggests that better treatment efficiency for organic nitrogen compounds can be obtained after ammonification of urea.

  15. The demise of compound houses

    DEFF Research Database (Denmark)

    Andreasen, Jørgen; Eskemose Andersen, Jørgen

    2006-01-01

    and the neighbourhood unity is a challenge for urban planners. However they represent good value for money, cost little to build, suit traditional inheritence patterns, allow independent life at low cost and allow sharing of services with a finite and known group (albeit within a potential conflictive domain). Compound...... of compound housing and analyses the advantages and disadvantages of life within such housing in Kumasi. Issues of privacy, image and communal life are usually cited by occupants dissatiesfied with life in compound houses, and the difficulty of extending them without spoiling the open spaces...

  16. Polishing compound for plastic surfaces

    Science.gov (United States)

    Stowell, Michael S.

    1995-01-01

    A polishing compound for plastic surfaces. The compound contains by weight approximately 4 to 17 parts at least one petroleum distillate lubricant, 1 to 6 parts mineral spirits, 2.5 to 15 parts abrasive particles, and 2.5 to 10 parts water. The abrasive is tripoli or a similar material that contains fine particles silica. Preferably, most of the abrasive particles are less than approximately 10 microns, more preferably less than approximately 5 microns in size. The compound is used on PLEXIGLAS.TM., LEXAN.TM., LUCITE.TM., polyvinyl chloride (PVC) and similar plastic materials whenever a smooth, clear polished surface is desired.

  17. BINARY COMPETITIVE AND COOPERATIVE ADSORPTION OF AROMATIC COMPOUNDS ON POLYMERIC RESINS

    Institute of Scientific and Technical Information of China (English)

    Wei-ming Zhang; Jin-long Chen; Bing-cai Pan; Quan-xing Zhang

    2005-01-01

    The adsorption behaviors of 2-naphthalenesulfonic acid and aniline on a conventional macroporous resin Amberlite XAD4 and the other two newly-developed hypercrosslinked resins NDA101 and NDA100 were investigated in a single or binary batch system at 293 K and 313 K, respectively. All the adsorption isotherms of 2-naphthalenesulfonic acid and aniline on the test resins in both systems can fit well with the Langmuir equation, indicating that the adsorption is a favorable process. At the identical equilibrium concentration, the amount of aniline adsorbed on polymeric resins in the single system is higher than that in the binary system because of the competitive adsorption between 2-naphthalenesulfonic acid and aniline on the resin surface. However, the uptake amount of 2-naphthalenesulfonic acid in the binary system is markedly larger than that in the single system, which is presumably due to the cooperative effect arisen from the electrostatic interaction between 2-naphthalenesulfonic acid and aniline adsorbed on the resin surface. The simultaneous adsorption system was proven to be helpful for the selective adsorption toward 2-naphthalenesulfonic acid due to its larger selective index.

  18. Fourth symposium on macrocyclic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Christensen, J. J.; Izatt, R. M.

    1980-01-01

    Both theoretical and experimental aspects of the properties and behavior of synthetic and naturally occurring macrocyclic compounds are covered in this symposium. This document contains abstracts of the papers. (DLC)

  19. Multi-angle compound imaging

    DEFF Research Database (Denmark)

    Jespersen, Søren Kragh; Wilhjelm, Jens Erik; Sillesen, Henrik

    1998-01-01

    to conventional B-mode imaging MACI offers better defined tissue boundaries and lower variance of the speckle pattern, resulting in an image with reduced random variations. Design and implementation of a compound imaging system is described, images of rubber tubes and porcine aorta are shown and effects......This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared...... on visualization are discussed. The speckle reduction is analyzed numerically and the results are found to be in excellent agreement with existing theory. An investigation of detectability of low-contrast lesions shows significant improvements compared to conventional imaging. Finally, possibilities for improving...

  20. Optimization of compound gear pump

    Institute of Scientific and Technical Information of China (English)

    栾振辉

    2002-01-01

    This paper introduces the performances of compound gear pump. Based on the target of having the smallest mass per unit volume, the paper established a mathematical model of optimization, and obtained the results of optimization of the pump.

  1. Crystallographic properties of fertilizer compounds

    Energy Technology Data Exchange (ETDEWEB)

    Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

    1991-02-01

    This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

  2. Cytotoxic Compounds from Brucea mollis

    OpenAIRE

    Tung, Mai Hung Thanh; Đuc, Ho Viet; Huong, Tran Thu; Nguyen Thanh DUONG; Do Thi PHUONG; Thao, Do Thi; Tai, Bui Huu; Kim, Young Ho; Bach, Tran The; Cuong, Nguyen Manh

    2012-01-01

    Ten compounds, including soulameanone (1), isobruceine B (2), 9-methoxy-canthin-6-one (3), bruceolline F (4), niloticine (5), octatriacontan-1-ol (6), bombiprenone (7), α-tocopherol (8), inosine (9), and apigenin 7-O-β-D-glucopyranoside (10), were isolated from the leaves, stems, and roots of Brucea mollis Wall. ex Kurz. Their structures were determined using one- and two-dimensional NMR spectroscopy and mass spectrometry. All compounds were evaluated for their cytotoxic activity against KB (...

  3. Miniature curved artificial compound eyes.

    Science.gov (United States)

    Floreano, Dario; Pericet-Camara, Ramon; Viollet, Stéphane; Ruffier, Franck; Brückner, Andreas; Leitel, Robert; Buss, Wolfgang; Menouni, Mohsine; Expert, Fabien; Juston, Raphaël; Dobrzynski, Michal Karol; L'Eplattenier, Geraud; Recktenwald, Fabian; Mallot, Hanspeter A; Franceschini, Nicolas

    2013-06-04

    In most animal species, vision is mediated by compound eyes, which offer lower resolution than vertebrate single-lens eyes, but significantly larger fields of view with negligible distortion and spherical aberration, as well as high temporal resolution in a tiny package. Compound eyes are ideally suited for fast panoramic motion perception. Engineering a miniature artificial compound eye is challenging because it requires accurate alignment of photoreceptive and optical components on a curved surface. Here, we describe a unique design method for biomimetic compound eyes featuring a panoramic, undistorted field of view in a very thin package. The design consists of three planar layers of separately produced arrays, namely, a microlens array, a neuromorphic photodetector array, and a flexible printed circuit board that are stacked, cut, and curved to produce a mechanically flexible imager. Following this method, we have prototyped and characterized an artificial compound eye bearing a hemispherical field of view with embedded and programmable low-power signal processing, high temporal resolution, and local adaptation to illumination. The prototyped artificial compound eye possesses several characteristics similar to the eye of the fruit fly Drosophila and other arthropod species. This design method opens up additional vistas for a broad range of applications in which wide field motion detection is at a premium, such as collision-free navigation of terrestrial and aerospace vehicles, and for the experimental testing of insect vision theories.

  4. Simultaneous biodegradation of nitrogen-containing aromatic compounds in a sequencing batch bioreactor

    Institute of Scientific and Technical Information of China (English)

    LIU Xing-yu; WANG Bao-jun; JIANG Cheng-ying; ZHAO Ke-xin; Harold L.Drake; LIU Shuang-Jiang

    2007-01-01

    Many nitrogen-containing aromatic compounds (NACs), such as nitrobenzene (NB), 4-nitrophenol (4-NP), aniline (AN), and 2,4-dinitrophenol (2,4-DNP), are environmentally hazardous, and their removal from contaminated water is one of the main challenges facing wastewater treatment plants. In this study, synthetic wastewater containing NB, 4-NP, 2,4-DNP, and AN at concentrations ranging from 50 to 180 mg/L was fed into a sequencing batch reactor (SBR). Analyses of the SBR system indicated that it simultaneously removed more than 99% of the NACs at loading rates of 0.36 kg NB/(m3·d), 0.3 kg 4-NP/(m3·d), 0.25 kg AN/(m3·d), and 0.1 kg 2,4-DNP/(m3·d). Bacterial groups of Bacteriodetes, Candidate division TM7, α-Proteobacteria, and β-Proteobacteria were dominant in the clone libraries of 16S rRNA genes retrieved from the microbial communities in the SBR system. "Cycle tests" designed to alter feeding and aeration parameters of the SBR system demonstrated that the resident microbial biome of the SBR system responded rapidly to changing conditions. Consumption of O2 was concomitant with the apparent mineralization of NACs. Aromatic ring-cleaving dioxygenase activities suggested that (1) AN and NB were degraded via catechol 2,3-dioxygenase; (2) 4-NP was degraded via 1,2,4-benzentriol 1,2-dioxygenase; and (3) 2,4-DNP was degraded via an unresolved pathway.

  5. Synthesis of Bridged Bis(β-ketoiminate) compounds%桥联的双β-酮亚胺化合物的合成

    Institute of Scientific and Technical Information of China (English)

    谢光勇; 徐晓航; 李龙; 刘公毅; 张爱清

    2013-01-01

      对二甲苯与N-溴代丁二酰亚胺反应合成对二溴甲基苯,后者与乙酰丙酮反应合成1,4-二(2',2'-二乙酰基乙烷基)苯,再与取代苯胺反应,较高收率合成了5种新型的苯二亚甲基桥联的双β-酮亚胺化合物;并通过1H NMR、IR和元素分析对产物进行了表征。%Five novel xylylene-bridged bis (β-ketoiminate ) compounds were synthesized with high yields by substituted anilines reacted with 1, 4-( 2′, 2′-acetonyethyl ) benzene which was synthesized with acetylacetone and p-dibromomethylbenzene prepared with p-Xylene and NBS. All the title compounds reported were characterized by 1 H NMR, IR and elemental analysis.

  6. Development of a compound-specific ELISA for flufenoxuron and an improved class-specific assay for benzoylphenylurea insect growth regulators.

    Science.gov (United States)

    Wang, S; Allan, R D; Skerritt, J H; Kennedy, I R

    1999-08-01

    This study describes immunochemical approaches for the compound-specific detection of flufenoxuron and class-specific detection of benzoylphenylurea (BPU) insecticides. With the aim of developing a highly specific immunoassay for flufenoxuron, a hapten was synthesized by introducing a spacer arm at the 2,6-difluoro substituent aromatic ring of a flufenoxuron derivative. An IC(50) value of 2.4 ppb was obtained for flufenoxuron, with detection of the other four BPUs being more than 4000-fold less sensitive. For the development of class-specific ELISA for five BPUs, a new approach was used for the hapten preparation in which a butanoic acid linkage was introduced into the 3,5-dichloro-substituted aniline ring of chlorfluazuron analogue. Although the resultant ELISA still exhibited slightly differing cross-reactions for these five BPUs, this method had broader specificity than the previously reported polyclonal antibody-based ELISA. Spike and recovery studies for five BPUs in soil and water indicated that both the compound- and class-specific ELISAs were able to quantitatively detect BPU residues in soil and water. This study also provided additional insights into the influence of the immunizing hapten structure on the specificities of the antibodies obtained.

  7. Quantitative structure-activity analyses of anilines and phenols toxicity to Daphnia magna Straus%苯胺和苯酚对大型溞Daphnia magna Straus毒性的定量结构-活性分析

    Institute of Scientific and Technical Information of China (English)

    蒋司同; 聂长明; 林英武; 石春雨

    2011-01-01

    本文旨在对苯胺和苯酚对大型溞Daphnia magna Straus毒性,进行定量结构-活性关系(QSARs)研究并进行相关的预测。由多元线性回归分析(MLR)方法得到的几个主要的QSARs关系模型揭示,在苯胺和苯酚对大型涵毒性中,正辛醇/水分配系数(logKow)是1个决定性因素。而单纯的利用logKow进行模型建立并不能得到很好的结果,在logKow模型的基础上,通过引入其它极性和/或电性参数可以大大提前模型的稳定性和预测能力,本文中所引用的极性参数为价电子数(NVE),电性参数有苯环碳原子Mulliken电荷之和(Qn)、最低非占据轨道能量(ELUMO)和最高占据轨道能量(EHOMO)。总体而言,通过引入1~2个参数即可获得稳定满意的关系模型。此外,引入5个参数可获得最佳关系模型[pEC50=0.054 NVE+0.394logKow-5.863 EHOMO+7.730 ELUMO+0.182 QA-1.062,N=34,R2=0.9328]。本文同时就与QSARs密切相关的参数进行了进一步讨论,为苯胺和苯酚毒性的分子机制提供了新信息。%This paper was aimed at developing quantitative structure-activity relationships (QSARs) for predicting the toxicity of anilines and phenols to Daphnia magna Straus. As analyzed by a method of multiple linear regression (MLR), the resultant QSARs revealed that octanol/water partition coefficient (logKow) is a major determining parameter. A model with logKow was further improved by adding other polarity and/or electronic parameters, such as the number of valence electrons (NVE), the sum of Mulliken charge of C atoms on benzene ring (QA), the energy of the lowest tmoccupied molecular orbital (ELUMO) and the highest occupied molecular orbital (EHOMO). In general, more stable and satisfactory models could be established by adding one or two additional parameters. Moreover, a best model was obtained by using five parameters [pEC50 = 0.054 NVE + 0.394logKow - 5.863 EHOMO + 7.730 ELUMO + 0.182 QA- 1.062, N= 34, R2 = 0

  8. Bioaccessibility testing of cobalt compounds.

    Science.gov (United States)

    Stopford, Woodhall; Turner, John; Cappellini, Danielle; Brock, Tom

    2003-08-01

    Testing of metal compounds for solubility in artificial fluids has been used for many years to assist determining human health risk from exposure to specific compounds of concern. In lieu of obtaining bioavailability data from samples of urine, blood, or other tissues, these studies measured solubility of compounds in various artificial fluids as a surrogate for bioavailability. In this context, the measurement of metal "bioaccessibility" can be used as an in vitro substitute for measuring metal bioavailability. Bioaccessibility can be defined as a value representing the availability of metal for absorption when dissolved in in vitro surrogates of body fluids or juices. The aim of this study was to measure and compare the bioaccessibility of selected cobalt compounds in artificial human tissue fluids and human serum. A second aim was to initiate studies to experimentally validate an in vitro methodology that would provide a conservative estimate of cobalt bioavailability in the assessment of dose from human exposure to various species of cobalt compounds. This study evaluated the bioaccessibility of cobalt(II) from 11 selected cobalt compounds and an alloy in 2 physical forms in 5 surrogate human tissue fluids and human serum. Four (4) separate extraction times were used up to 72 hours. The effect of variables such as pH, dissolution time, and mass-ion effect on cobalt bioaccessibility were assessed as well. We found that the species of cobalt compound as well as the physico-chemical properties of the surrogate fluids, especially pH, had a major impact on cobalt solubility. Cobalt salts such as cobalt(II) sulfate heptahydrate were highly soluble, whereas cobalt alloys used in medical implants and cobalt aluminate spinels used as pigments, showed minimal dissolution over the period of the assay.

  9. 分段导数分析法用于苯胺甲醛缩合反应过程综合%Application of piecewise derivative analysis in process synthesis of aniline and formaldehyde condensation reaction

    Institute of Scientific and Technical Information of China (English)

    李玉龙; 胡仰栋; 伍联营

    2014-01-01

    苯胺甲醛缩合制多胺的反应是典型的第Ⅲ类反应体系,反应过程复杂。针对反应的阶段性特征,采用分段导数分析法对其进行反应器网络综合,第一阶段应采用DSR或PFR;第二阶段应采用PFR。采用不同的流程结构进行试验,结果为:采用DSR+PFR的流程结构,最终产品中二氨基二苯甲烷(MDA)含量最高;采用PFR+PFR的流程结构,最终产品中二氨基二苯甲烷(MDA)含量次之。试验结果与导数分析法分析结果一致,表明本文所用方法是有效的。%Synthesis of polyamine from aniline and formaldehyde is a typical type Ⅲ reaction system, so the reaction process is complex. In view of the stage characteristics of type Ⅲ reaction system, piecewise derivative analysis was used to solve the problem of its reactor network synthesis. Differential side-stream reactor(DSR) or plug flow reactor (PFR) should be used in the first reaction stage and PFR should be used in the second reaction stage. A series of experiments with different process structures were done, and the results were compared with theoretical analysis. The results of the experiments showed that the amount of methylenedianiline (MDA) was the highest with the structure of DSR and PFR. The amount of MDA was the second highest with the structure of PFR and PFR. The experimental results were consistent with the piecewise derivative analysis results, indicating the effectiveness of piecewise derivative analysis.

  10. Associative asymmetry of compound words.

    Science.gov (United States)

    Caplan, Jeremy B; Boulton, Kathy L; Gagné, Christina L

    2014-07-01

    Early verbal-memory researchers assumed participants represent memory of a pair of unrelated items with 2 independent, separately modifiable, directional associations. However, memory for pairs of unrelated words (A-B) exhibits associative symmetry: a near-perfect correlation between accuracy on forward (A →?) and backward (?← B) cued recall. This was viewed as arguing against the independent-associations hypothesis and in favor of the hypothesis that associations are remembered as holistic units. Here we test the Holistic Representation hypothesis further by examining cued recall of compound words. If we suppose preexisting words are more unitized than novel associations, the Holistic Representation hypothesis predicts compound words (e.g., ROSE BUD) will have a higher forward-backward correlation than novel compounds (e.g., BRIEF TAX). We report the opposite finding: Compound words, as well as noncompound words, exhibited less associative symmetry than novel compounds. This challenges the Holistic Representation account of associative symmetry. Moreover, preexperimental associates (positional family size) influenced associative symmetry-but asymmetrically: Increasing family size of the last constituent increasing decoupled forward and backward recall, but family size of the 1st constituent had no such effect. In short, highly practiced, meaningful associations exhibit associative asymmetry, suggesting associative symmetry is not diagnostic of holistic representations but, rather, is a characteristic of ad hoc associations. With additional learning, symmetric associations may be replaced by directional, independently modifiable associations as verbal associations become embedded within a rich knowledge structure.

  11. Cytotoxic Compounds from Brucea mollis

    Directory of Open Access Journals (Sweden)

    Mai Hung Thanh TUNG

    2016-09-01

    Full Text Available Ten compounds, including soulameanone (1, isobruceine B (2, 9-methoxy-canthin-6-one (3, bruceolline F (4, niloticine (5, octatriacontan-1-ol (6, bombiprenone (7, α-tocopherol (8, inosine (9, and apigenin 7-O-β-D-glucopyranoside (10, were isolated from the leaves, stems, and roots of Brucea mollis Wall. ex Kurz. Their structures were determined using one- and two-dimensional NMR spectroscopy and mass spectrometry. All compounds were evaluated for their cytotoxic activity against KB (human carcinoma of the mouth, LU-1 (human lung adenocarcinoma, LNCaP (human prostate adeno-carcinoma, and HL-60 (human promyelocytic leukemia cancer cell lines. Compound 2 showed significant cytotoxic activity against KB, LU-1, LNCaP, and HL-60 cancer cells with IC50 values of 0.39, 0.40, 0.34, and 0.23 μg/mL, respectively. In addition, compounds 3 and 5 showed significant cytotoxic activity against KB, LU-1, LNCaP, and HL-60 cancer cells with IC50 values around 1–4 μg/mL. Compounds 9-methoxycanthin-6-one (3 and niloticine (5 have been discovered for the first time from the Brucea genus.

  12. Compounds in food packaging materials

    DEFF Research Database (Denmark)

    Rosenmai, Anna Kjerstine

    Food contact materials (FCMs) are sources of food contamination and human chemical exposure. Some chemicals in these materials are known to cause adverse effects, but many are poorly characterized for their potential toxicological hazards making risk assessment a challenge. The aim of the project....... It is recommended to test more FCMs of paper and board with the strategy to obtain information on other potentially problematic compounds present in these materials. The presented data overall suggest that some compounds present in FCMs or suspected of being used can exert endocrine activities in vitro, though...... the implications of these findings with respect to effects in humans and exposure to humans remain largely unknown. Nevertheless, it is of concern that so many of the materials and compounds led to effects and calls for further studies to be conducted. The data obtained in this PhD can be used as a prioritization...

  13. [Triterpene compounds from Cirsium setosum].

    Science.gov (United States)

    Li, Lingling; Sun, Zheng; Shang, Xiaoya; Li, Jinjie; Wang, Rong; Zhu, Jie

    2012-04-01

    To investigate chemical constituents contained in cytotoxic petroleum ether extractive fractions from ethanol extracts of Cirsium setosum. The constituents were separated and purified by a combination of various chromatographic methods including silica gel, Sephadex LH-20, and preparative HPLC. Structures of the isolates were elucidated by spectroscopic methods including 1D, 2D NMR and MS methods. The compound structures were also determined by reference to literature. Twelve compounds were separated from the petroleum ether fraction of ethanolic extract and elucidated as lupenyl acetate (1), lupeol (2), lupenone (3), beta-amyrin (4), psi-taraxasterol (5), psi-taraxasteryl acetate (6), taraxasteryl acetate (7), marsformoxide B (8), alpha-amyrenone (9), beta-amyrenone (10), taraxasterone (11) and psi-taraxasterone (12). Of them, compounds 3, 5, 7-12 were separated from this genus for the first time.

  14. Electronic Configuration of Yb Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Temmerman, W.M.; Szotek, Z. [Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, Cheshire (United Kingdom); Svane, A. [Institute of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Strange, P. [Physics Department, Keele University, Keele, Staffordshire, ST5 5BG (United Kingdom); Winter, H. [INFP, Forschungszentrum Karlsruhe GmbH, Postfach 3640, D-76021 Karlsruhe (Germany); Delin, A.; Johansson, B.; Eriksson, O.; Fast, L. [Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, 75121 Uppsala (Sweden); Wills, J.M. [Center of Materials Science and Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)

    1999-11-01

    The total energy differences between divalent and trivalent configurations of Yb ions in a number of Yb compounds are studied. Two different band theoretical methods, which differ in the treatment of the localized f electrons, are used. The results show that in all Yb compounds the valence energy differences are equal to the energy needed to localize an f electron. These valence energy differences correlate with the number of f electrons hybridizing with the conduction bands in the trivalent configuration. For divalent YbS, the pressure induced f -electron delocalization implies an intermediate valency, as also indicated by experiment. {copyright} {ital 1999} {ital The American Physical Society }

  15. The structures of binary compounds

    CERN Document Server

    Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

    1990-01-01

    - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

  16. Anomalies in mineralization of low concentrations of organic compounds in lake water and sewage.

    OpenAIRE

    1986-01-01

    The rates of mineralization of nitrilotriacetic acid (NTA), 2,4-dichlorophenoxyacetic acid (2,4-D), p-nitrophenol, aniline, and isopropyl N-phenylcarbamate (IPC) at one or more concentrations ranging from 100 pg/ml to 1.0 microgram/ml were proportional to chemical concentrations in samples of three lakes. The rates at 100 pg of NTA, 2,4-D, p-nitrophenol, and aniline per ml in samples of one or more lakes were less than predicted, assuming the rates were linearly related to the concentration. ...

  17. 苯胺与甲醛合成4,4-二氨基二苯甲烷反应体系的热力学分析%Thermodynamic analysis on synthesis of 4,4-methylenedianiline by reaction of aniline and formaldehyde

    Institute of Scientific and Technical Information of China (English)

    王晨晔; 李会泉; 曹妍; 柳海涛; 侯新娟; 张懿

    2012-01-01

    苯胺与甲醛合成4,4-二氨基二苯甲烷( MDA)是一个复杂的反应体系.采用多种基团贡献法,计算了该反应体系涉及多种物质的基础热力学数据,以及主要反应的反应焓变、反应Gibbs自由能变以及各反应的平衡常数.结合热力学模拟计算,分析了体系温度、苯胺与甲醛的原料配比对该反应体系平衡转化过程的影响,并与实验数据进行对比验证.研究结果表明:由苯胺与甲醛合成MDA的反应为放热反应,升高体系温度有利于抑制副产物的生成,同时可获得较高的MDA收率.选取原料配比为3作为较优操作条件,可减少副产物的产生量,并降低后续产物分离能耗.%Synthesis of 4, 4-methylenedianiline (MDA) from aniline and formaldehyde is a complex reaction system. The fundamental thermodynamic data of substances in the reaction system were calculated with various group contribution methods. The reaction enthalpy, Gibbs free energy change and equilibrium constant of the main reactions were calculated. The influence of reaction temperature and raw material ratio of aniline to formaldehyde on the reaction equilibrium was investigated by thermodynamic simulation and validated by comparison with experimental data. It is shown that higher reaction temperature restrains the formation of byproducts, so higher yield of MDA can be obtained. The optimized molar ratio of aniline to formaldehyde is 3 : 1. Under this reaction condition, by-products are less and subsequence separation of aniline is easier. The comparison with experimental data shows that the calculation results are reasonable.

  18. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  19. Assimilation of Unusual Carbon Compounds

    NARCIS (Netherlands)

    Middelhoven, W.J.

    2009-01-01

    Yeast taxa traditionally are distinguished by growth tests on several sugars and organic acids. During the last decades it became apparent that many yeast species assimilate a much greater variety of naturally occurring carbon compounds as sole source of carbon and energy. These abilities are indica

  20. Organophosphorus Compounds in Organic Electronics.

    Science.gov (United States)

    Shameem, Muhammad Anwar; Orthaber, Andreas

    2016-07-25

    This Minireview describes recent advances of organophosphorus compounds as opto-electronic materials in the field of organic electronics. The progress of (hetero-) phospholes, unsaturated phosphanes, and trivalent and pentavalent phosphanes since 2010 is covered. The described applications of organophosphorus materials range from single molecule sensors, field effect transistors, organic light emitting diodes, to polymeric materials for organic photovoltaic applications.

  1. Bacterial degradation of fluorinated compounds

    NARCIS (Netherlands)

    Ferreira, Maria Isabel Martins

    2007-01-01

    Fluorine was produced for the first time by Henri Moissan in 1886, for which he received the Nobel Prize in chemistry in 1906. The unique properties of fluorine have led to the development of fluorine chemistry and numerous synthetic fluorinated compounds have been prepared and tested for different

  2. Students' Categorizations of Organic Compounds

    Science.gov (United States)

    Domin, Daniel S.; Al-Masum, Mohammad; Mensah, John

    2008-01-01

    Categorization is a fundamental psychological ability necessary for problem solving and many other higher-level cognitive tasks. In organic chemistry, students must establish groupings of different chemical compounds in order not only to solve problems, but also to understand course content. Classic models of categorization emphasize similarity as…

  3. Compounding errors in 2 dogs receiving anticonvulsants.

    Science.gov (United States)

    McConkey, Sandra E; Walker, Susan; Adams, Cathy

    2012-04-01

    Two cases that involve drug compounding errors are described. One dog exhibited increased seizure activity due to a compounded, flavored phenobarbital solution that deteriorated before the expiration date provided by the compounder. The other dog developed clinical signs of hyperkalemia and bromine toxicity following a 5-fold compounding error in the concentration of potassium bromide (KBr).

  4. Microstructural degradation in compound tubes

    Energy Technology Data Exchange (ETDEWEB)

    Salonen, J.; Auerkari, P. [VTT Manufacturing Technology, Espoo (Finland)

    1996-12-31

    In order to quantify microstructural degradation at high temperatures, samples of SA 210 / AISI 304 L compound tube material were annealed in the temperature range 540-720 deg C for 1 to 1 000 hours. The hardness of the annealed material was measured and the micro structure of the samples was investigated with optical and scanning electron microscopy. Microstructural degradation was characterised by the carbide structure in the ferritic-pearlitic base material and by the depth of decarburised and carburised zones of the compound tube interface. The observed changes were quantified in terms of their time and temperature dependence and diffusion coefficients of the process. The results can be used in estimating the extent of thermal exposure of high-temperature components after long-term service or after incidences of overheating. (orig.) (4 refs.)

  5. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  6. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  7. Polymer-solvent molecular compounds

    CERN Document Server

    Guenet, Jean-Michel

    2010-01-01

    Crystallisable polymers represent a large share of the polymers used for manufacturing a wide variety of objects, and consequently have received continuous attention from scientists these past 60 years. Molecular compounds from crystallisable polymers, particularly from synthetic polymers, are receiving growing interest due to their potential application in the making of new materials such as multiporous membranes capable of capturing large particles as well as small pollutant molecules. The present book gives a detailed description of these promising systems. The first chapter

  8. Compound facial expressions of emotion.

    Science.gov (United States)

    Du, Shichuan; Tao, Yong; Martinez, Aleix M

    2014-04-15

    Understanding the different categories of facial expressions of emotion regularly used by us is essential to gain insights into human cognition and affect as well as for the design of computational models and perceptual interfaces. Past research on facial expressions of emotion has focused on the study of six basic categories--happiness, surprise, anger, sadness, fear, and disgust. However, many more facial expressions of emotion exist and are used regularly by humans. This paper describes an important group of expressions, which we call compound emotion categories. Compound emotions are those that can be constructed by combining basic component categories to create new ones. For instance, happily surprised and angrily surprised are two distinct compound emotion categories. The present work defines 21 distinct emotion categories. Sample images of their facial expressions were collected from 230 human subjects. A Facial Action Coding System analysis shows the production of these 21 categories is different but consistent with the subordinate categories they represent (e.g., a happily surprised expression combines muscle movements observed in happiness and surprised). We show that these differences are sufficient to distinguish between the 21 defined categories. We then use a computational model of face perception to demonstrate that most of these categories are also visually discriminable from one another.

  9. Studying the Propensity of Compounds to Supersaturate

    DEFF Research Database (Denmark)

    Palmelund, Henrik; Madsen, Cecilie Maria; Plum, Jakob;

    2016-01-01

    Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations of supersatura......Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations...... of supersaturation to study has previously been very inconsistent. This makes comparisons between studies and compounds difficult, as the propensity of compounds to supersaturate varies greatly. This study presents a standardized method to study the supersaturation of drug compounds. The method allows, both......, for a ranking of compounds according to their supersaturation propensity and the effectiveness of precipitation inhibitors. The time-concentration profile of supersaturation and precipitation was studied in situ for 4 different concentrations for 6 model compounds (albendazole, aprepitant, danazol, felodipine...

  10. 聚苯胺与聚苯胺涤纶复合导电织物的制备%Preparation of Polyaniline and Polyaniline/Polyester Compound Conductive Fabric

    Institute of Scientific and Technical Information of China (English)

    张保宏; 薛涛; 孟家光

    2013-01-01

    Using sulfuric acid as mixed acid and ammonium persulfate as oxidant, polyaniline is prepared by the chemical oxidation synthesis, and polyaniline/polyester compound conductive fabric is prepared by in-situ poly-merization synthesis. The electric conductivity effect of the molar ratio of ammonium persulfate and aniline and the density of sulfuric acid for polyaniline and polyaniline/polyester compound conductive fabric are analyzed, mean-while, the surface profile of polyaniline is tested, and then the mechanical property and durability of polyaniline/polyester compound conductive fabric are tested. The results show that the optimum preparation conditions of polyaniline is: the molar ratio of ammonium persulfate and aniline is 1∶1, and the concentration of sulfuric acid is 1 mol/L under reaction temperature 15~25 ℃ for 6 hours. The optimum preparation conditions of polyaniline/polyester compound conductive fabric is: the molar ratio of ammonium persulfate and aniline is 1∶1, the concentra-tion of sulfuric acid is 1 mol/L under reaction temperature 15~25℃ for 2 hours.%以H2SO4为掺杂酸,过硫酸铵为氧化剂,采用化学氧化聚合法制备聚苯胺,用扫描电镜和数字万用表对其形态和导电性能进行测试;以H2SO4为掺杂酸,过硫酸铵为氧化剂,采用原位聚合法制备聚苯胺涤纶复合导电织物,对聚苯胺涤纶复合导电织物的导电性能、力学性能及耐洗性进行测试。结果表明,制备聚苯胺的最佳工艺条件为:过硫酸铵与苯胺单体摩尔比为1∶1,硫酸浓度为1 mol/L,反应时间为6 h,反应温度为15~25℃;制备聚苯胺涤纶复合导电织物的最佳工艺条件为:过硫酸铵与苯胺单体摩尔比为1∶1,硫酸浓度为1 mol/L,反应时间为2 h,反应温度为15~25℃。

  11. Transformation of Contaminant Candidate List (CCL3) compounds during ozonation and advanced oxidation processes in drinking water: Assessment of biological effects.

    Science.gov (United States)

    Mestankova, Hana; Parker, Austa M; Bramaz, Nadine; Canonica, Silvio; Schirmer, Kristin; von Gunten, Urs; Linden, Karl G

    2016-04-15

    The removal of emerging contaminants during water treatment is a current issue and various technologies are being explored. These include UV- and ozone-based advanced oxidation processes (AOPs). In this study, AOPs were explored for their degradation capabilities of 25 chemical contaminants on the US Environmental Protection Agency's Contaminant Candidate List 3 (CCL3) in drinking water. Twenty-three of these were found to be amenable to hydroxyl radical-based treatment, with second-order rate constants for their reactions with hydroxyl radicals (OH) in the range of 3-8 × 10(9) M(-1) s(-1). The development of biological activity of the contaminants, focusing on mutagenicity and estrogenicity, was followed in parallel with their degradation using the Ames and YES bioassays to detect potential changes in biological effects during oxidative treatment. The majority of treatment cases resulted in a loss of biological activity upon oxidation of the parent compounds without generation of any form of estrogenicity or mutagenicity. However, an increase in mutagenic activity was detected by oxidative transformation of the following CCL3 parent compounds: nitrobenzene (OH, UV photolysis), quinoline (OH, ozone), methamidophos (OH), N-nitrosopyrolidine (OH), N-nitrosodi-n-propylamine (OH), aniline (UV photolysis), and N-nitrosodiphenylamine (UV photolysis). Only one case of formation of estrogenic activity was observed, namely, for the oxidation of quinoline by OH. Overall, this study provides fundamental and practical information on AOP-based treatment of specific compounds of concern and represents a framework for evaluating the performance of transformation-based treatment processes.

  12. Volatile flavor compounds in yogurt: a review.

    Science.gov (United States)

    Cheng, Hefa

    2010-11-01

    Considerable knowledge has been accumulated on the volatile compounds contributing to the aroma and flavor of yogurt. This review outlines the production of the major flavor compounds in yogurt fermentation and the analysis techniques, both instrumental and sensory, for quantifying the volatile compounds in yogurt. The volatile compounds that have been identified in plain yogurt are summarized, with the few key aroma compounds described in detail. Most flavor compounds in yogurt are produced from lipolysis of milkfat and microbiological transformations of lactose and citrate. More than 100 volatiles, including carbonyl compounds, alcohols, acids, esters, hydrocarbons, aromatic compounds, sulfur-containing compounds, and heterocyclic compounds, are found in yogurt at low to trace concentrations. Besides lactic acid, acetaldehyde, diacetyl, acetoin, acetone, and 2-butanone contribute most to the typical aroma and flavor of yogurt. Extended storage of yogurt causes off-flavor development, which is mainly attributed to the production of undesired aldehydes and fatty acids during lipid oxidation. Further work on studying the volatile flavor compounds-matrix interactions, flavor release mechanisms, and the synergistic effect of flavor compounds, and on correlating the sensory properties of yogurt with the compositions of volatile flavor compounds are needed to fully elucidate yogurt aroma and flavor.

  13. Nitrogen Compounds in Radiation Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Sims, H.E. [NNL Sellafield (United Kingdom); Dey, G.R. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Vaudey, C.E.; Peaucelle, C. [Institut de Physique Nucleaire de Lyon - IPNL, 69 - Lyon (France); Boucher, J.L. [Lab. de Chimie et Biochimie Pharmacologiques et Toxicologiques, UMR 8601 CNRS 45 rue des Saints Peres, 75270 Paris cedex 06, Univ Paris 5, 75 (France); Toulhoat, N. [Institut de Physique Nucleaire de Lyon (France); Commissariat a l' Energie Atomique CEA/DEN, Centre de Saclay (France); Bererd, N. [Institut de Physique Nucleaire de Lyon (France); IUT Departement Chimie, Universite Claude Bernard Lyon 1 (France); Koppenol, W.H. [Department of Chemistry and Applied Biosciences, ETH Zurich (Switzerland); Janata, E. [Helmholtz-Zentrum fuer Materialien und Energie, Solar Energy Research, Berlin (Germany); Dauvois, V.; Durand, D.; Legand, S.; Roujou, J.L.; Doizi, D.; Dannoux, A.; Lamouroux, C. [Laboratoire de Speciation des Radionucleides et des Molecules, DEN/DPC/Service d' Etude du Comportement des Radionucleides, CEA Saclay, 91 - Gif sur yvette (France)

    2009-07-01

    Water radiolysis in presence of N{sub 2} is probably the topic the most controversy in the field of water radiolysis. It still exists a strong discrepancy between the different reports of ammonia formation by water radiolysis in presence of N{sub 2} and moreover in absence of oxygen there is no agreement on the formation or not of nitrogen oxide like NO{sub 2}- and NO{sub 3}-. These discrepancies come from multiple sources: - the complexity of the reaction mechanisms where nitrogen is involved - the experimental difficulties - and, the irradiation conditions. The aim of the workshop is to capitalize the knowledge needed to go further in simulations and understanding the problems caused (or not) by the presence of nitrogen / water in the environment of radioactive materials. Implications are evident in terms of corrosion, understanding of biological systems and atmospheric chemistry under radiation. Topics covered include experimental and theoretical approaches, application and fundamental researches: - Nitrate and Ammonia in radiation chemistry in nuclear cycle; - NOx in biological systems and atmospheric chemistry; - Formation of Nitrogen compounds in Nuclear installations; - Nitrogen in future power plant projects (Gen4, ITER...) and large particle accelerators. This document gathers the transparencies available for 7 of the presentations given at this workshop. These are: - H.E SIMS: 'Radiation Chemistry of Nitrogen Compounds in Nuclear Power Plant'; - G.R. DEY: 'Nitrogen Compounds Formation in the Radiolysis of Aqueous Solutions'; - C.E. VAUDEY et al.: 'Radiolytic corrosion of nuclear graphite studied with the dedicated gas irradiation cell of IPNL'; - J.L. BOUCHER: 'Roles and biosynthesis of NO in eukaryotes and prokaryotes'; - W.H. KOPPENOL: 'Chemistry of NOx'; - E. JANATA: 'Yield of OH in N{sub 2}O saturated aqueous solution'; - V. DAUVOIS: 'Analytical strategy for the study of radiolysis gases'

  14. Unpacking Noun-Noun Compounds

    DEFF Research Database (Denmark)

    Smith, Viktor; Barratt, Daniel; Zlatev, Jordan

    2014-01-01

    market and using Danish NNCs. Specifically, we addressed a highly productive type of compound food names where the modifier denotes a geographical entity and the head denotes a type of food, e.g. Hawaii pizza. Our findings contribute new evidence to central issues of (cognitive) linguistic theory...... concerning the relations between semantics and pragmatics, as well as system and usage, and psycholinguistic issues concerning the processing of NNCs. New insights and methodological tools are also provided for supporting future best practices in the field of food naming and labelling...

  15. First flush of dissolved compounds

    DEFF Research Database (Denmark)

    Krebs, P.; Holzer, P.; Huisman, J.L.

    1999-01-01

    . It is known that since the wave celerity is higher than the flow velocity of the water, the increase of flow rate induced through rain runoff is recognised earlier at a certain downstream section of the combined sewer than the concentration increase of typical rain-water compounds originating from surface...... on the receiving water, when a combined sewer overflow occurs, and also on the wastewater treatment plant when the sewer network is flat and catchment area is big. (C) 1999 Published by Elsevier Science Ltd on behalf of the IAWQ. All rights reserved....

  16. Bacterial degradation of detergent compounds.

    Science.gov (United States)

    Goodnow, R A; Harrison, A P

    1972-10-01

    A survey for surfactant degradation among aerobic bacteria has been undertaken. Tests have been made in peptone medium where such a degradation, if it occurs, will be gratuitous. Tallow-alkyl-sulfate, alkyl-ethoxylate-sulfate, and linear-alkyl-benzene-sulfonate were used. Forty-five strains of 34 species in 19 genera degrade one or more of these detergent compounds. With some species, the surfactant inhibits degradation without inhibiting growth, whereas with one species slight degradation took place even at a toxic concentration of surfactant.

  17. Aroma compounds in fresh cut pomegranate arils.

    Science.gov (United States)

    Little published information exists regarding flavor and aroma compounds in pomegranate (Punica granatum). Although arils have fruity and sweet characteristics, we found no publications describing actual compounds responsible for their typical flavor. Since most commercial usage of pomegranates in...

  18. Therapeutic Phytogenic Compounds for Obesity and Diabetes

    Directory of Open Access Journals (Sweden)

    Hee Soong Jung

    2014-11-01

    Full Text Available Natural compounds have been used to develop drugs for many decades. Vast diversities and minimum side effects make natural compounds a good source for drug development. However, the composition and concentrations of natural compounds can vary. Despite this inconsistency, half of the Food and Drug Administration (FDA-approved pharmaceuticals are natural compounds or their derivatives. Therefore, it is essential to continuously investigate natural compounds as sources of new pharmaceuticals. This review provides comprehensive information and analysis on natural compounds from plants (phytogenic compounds that may serve as anti-obesity and/or anti-diabetes therapeutics. Our growing understanding and further exploration of the mechanisms of action of the phytogenic compounds may afford opportunities for development of therapeutic interventions in metabolic diseases.

  19. Formation of Reissert compound of bisbenzimidazole

    OpenAIRE

    1990-01-01

    A Reissert compound of bisbenzimidazole can be formed by first reacting benzimidazole with an aliphatic diacid chloride to form bisbenzimidazole and then reacting the bisbenzimidazole with an aliphatic acid chloride and cyanide to form the Reissert compound thereof.

  20. Lipid encapsulated phenolic compounds by fluidization

    Science.gov (United States)

    Phenolic compounds exhibit antioxidant and antimicrobial activities with applications as functional food and feed additives. Ferulic acid, a phenolic compound present in grain crops and lignocellulose biomass, was encapsulated with saturated triglycerides using a laboratory fluidizer. Stability of t...

  1. Bioavailability of dietary phenolic compounds: Review

    OpenAIRE

    Erick Gutiérrez-Grijalva Paul Gutiérrez-Grijalva; Dulce Libna Ambriz-Pérez; Nayely Leyva-López; Ramón Ignacio Castillo-López; José Basilio Heredia

    2015-01-01

    Phenolic compounds are ubiquitous in plant-based foods. High dietary intake of fruits, vegetables and cereals is related to a decreased rate in chronic diseases. Phenolic compounds are thought to be responsible, at least in part, for those health effects. Nonetheless, phenolic compounds bioaccessibility and biotransformation is often not considered in these studies; thus, a precise mechanism of action of phenolic compounds is not known. In this review we aim to present a comprehensive knowled...

  2. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines.

  3. Prebiotic Evolution of Nitrogen Compounds

    Science.gov (United States)

    Arrhenius, G.

    1999-01-01

    Support from this four year grant has funded our research on two general problems. One involves attempts to model the abiotic formation of simple source compounds for functional biomolecules, their concentration from dilute state in the hydrosphere and, in several cases, surface induced reactions to form precursor monomers for bioactive end products (refs. 1-5). Because of the pervasiveness and antiquity of phosphate based biochemistry and the catalytic activity of RNA we have exploring the hypothesis of an RNA World as an early stage in the emergence of life. This concept is now rather generally considered, but has been questioned due to the earlier lack of an experimentally demonstrated successful scheme for the spontaneous formation of ribose phosphate, the key backbone molecule in RNA. That impediment has now been removed. This has been achieved by demonstrating probable sources of activated (condensed) highly soluble and strongly sorbed phosphates in nature (Refs. 1,2) and effective condensation of aldehyde phosphates to form ribose phosphate in high yield (ref.6), thereby placing the RNA World concept on a somewhat safer experimental footing. Like all work in this field these experiments are oversimplifications that largely ignore competing side reactions with other compounds expected to be present. None the less our choice of experimental conditions aim at selective processes that eliminate interfering reactions. We have also sought to narrow the credibility gap by simulating geophysically and geochemically plausible conditions surrounding the putative prebiotic reactions.

  4. Corrosion Preventive Compounds Lifetime Testing

    Science.gov (United States)

    Hale, Stephanie M.; Kammerer, Catherine C.; Copp, Tracy L.

    2007-01-01

    Lifetime Testing of Corrosion Preventive Compounds (CPCs) was performed to quantify performance in the various environments to which the Space Shuttle Orbiter is exposed during a flight cycle. Three CPCs are approved for use on the Orbiter: RD Calcium Grease, Dinitrol AV-30, and Braycote 601 EF. These CPCs have been rigorously tested to prove that they mitigate corrosion in typical environments, but little information is available on how they perform in the unique combination of the coastal environment at the launch pad, the vacuum of low-earth orbit, and the extreme heat of reentry. Currently, there is no lifetime or reapplication schedule established for these compounds that is based on this combination of environmental conditions. Aluminum 2024 coupons were coated with the three CPCs and exposed to conditions that simulate the environments to which the Orbiter is exposed. Uncoated Aluminum 2024 coupons were exposed to the environmental conditions as a control. Visual inspection and Electro- Impedance Spectroscopy (EIS) were performed on the samples in order to determine the effectiveness of the CPCs. The samples were processed through five mission life cycles or until the visual inspection revealed the initiation of corrosion and EIS indicated severe degradation of the coating.

  5. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  6. Semiconducting compounds and devices incorporating same

    Energy Technology Data Exchange (ETDEWEB)

    Marks, Tobin J; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

    2014-06-17

    Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

  7. Semiconducting compounds and devices incorporating same

    Energy Technology Data Exchange (ETDEWEB)

    Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

    2016-01-19

    Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

  8. Low-molecular compounds of erythrocytes

    Directory of Open Access Journals (Sweden)

    O. O. Sorochan

    2006-01-01

    Full Text Available Glucose and free amino acids levels in rats’ blood plasma and erythrocytes hemolysate under carcinoma Geuren Т8 development as well as after introduction of Rhenium (III and сys-Platinum compounds were studied. The complex Rhenium (III compounds with organic ligands act as antioxidant and normalize the concentration of low-molecular compounds in erythrocytes under the carcinogenesis.

  9. 新型Ti/TiOxHy/Sb-SnO2电极上苯胺电化学氧化反应%Electrochemical oxidation of aniline by a novel Ti/TiOxHy/Sb-SnO2 electrode

    Institute of Scientific and Technical Information of China (English)

    李晓良; 徐浩; 延卫

    2016-01-01

    于苯胺的降解.另外, Ti/TiOxHy/Sb-SnO2电极在三维反应器中对苯胺的处理效果要远远好于在二维反应器中.可以看出, Ti/TiOxHy/Sb-SnO2电极具有较好的处理苯胺性能,可为苯胺废水处理的应用提供了一定的理论指导.%Electrochemical oxidation of aniline in aqueous solution was investigated over a novel Ti/TiOxHy/Sb‐SnO2 electrode prepared by the electrodeposition method. Scanning electron micros‐copy, X‐ray diffraction, and electrochemical measurements were used to characterize its morphol‐ogy, crystal structure, and electrochemical properties. Removal of aniline by the Ti/TiOxHy/Sb‐SnO2 electrode was investigated by ultraviolet‐Visible spectroscopy and chemical oxygen demand (COD) analysis under different conditions, including current densities, initial concentrations of aniline, pH values, concentrations of chloride ions, and types of reactor. It was found that a higher current den‐sity, a lower initial concentration of aniline, an acidic solution, the presence of chloride ions (0.2 wt%NaCl), and a three‐dimensional (3D) reactor promoted the removal efficiency of aniline. Elec‐trochemical degradation of aniline followed pseudo‐first‐order kinetics. The aniline (200 mL of 100 mg·L−1) and COD removal efficiencies reached 100%and 73.5%, respectively, at a current density of 20 mA·cm−2, pH of 7.0, and supporting electrolyte of 0.5 wt%Na2SO4 after 2 h electrolysis in a 3D reactor. These results show that aniline can be significantly removed on the Ti/TiOxHy/Sb‐SnO2 electrode, which provides an efficient way for elimination of aniline from aqueous solution.

  10. CHARACTERIZATIONS OF NITROGEN COMPOUNDS IN COKER GAS OIL AND STRAIGHT RUN DIESEL OIL%直馏柴油和焦化柴油中含氮化合物类型分布

    Institute of Scientific and Technical Information of China (English)

    张月琴

    2013-01-01

    Nitrogen compounds were extracted from coker gas oil and straight run diesel oil by chro-matography with neutral silica adsorption column. Then the nitrogen compounds were concentrated and separated into basic and non-basic types using acid-modified silica column. The identification of nitrogen compounds in the extracts was performed by gas chromatography-mass spectrometer (GC-MS) and gas chromatography-nitrogen chemiluminescence detection (GC-NCD), as well as verification of peak assignments with those reported by others. Results showed that in straight-run diesel, neutral nitrogen compounds, mainly benzocarbazole nitrogen compounds, occupied more than 70% (mass fraction) of the total nitrogen compounds; in coker gas oil, nitrogen compounds including pyridine, aniline, indole, quin-oline, and carbazole were found, and the mass fraction of total neutral nitrogen compounds was slightly over that of basic nitrogen compounds occupied more than 50% of the total nitrogen compounds.%采用中性硅胶柱分离、富集直馏柴油和焦化柴油中的含氮化合物,进一步用酸改性硅胶柱将含氮化合物分离成碱性含氮化合物和中性含氮化合物,利用GC-MS定性,结合含氮化合物的GC保留特性和沸点分布规律,确定直馏柴油和焦化柴油中含氮化合物的类型.结果表明,直馏柴油中中性含氮化合物占总含氮化合物的质量分数在70%以上,主要是苯并咔唑类含氮化合物;焦化柴油中含氮化合物包括吡啶类、苯胺类、吲哚类、喹啉类和咔唑类等含氮化合物,其中中性含氮化合物的含量比碱性含氮化合物稍高,占总含氮化合物的质量分数在50%以上.

  11. Highly sweet compounds of plant origin.

    Science.gov (United States)

    Kim, Nam-Cheol; Kinghorn, A Douglas

    2002-12-01

    The demand for new alternative "low calorie" sweeteners for dietetic and diabetic purposes has increased worldwide. Although the currently developed and commercially used highly sweet sucrose substitutes are mostly synthetic compounds, the search for such compounds from natural sources is continuing. As of mid-2002, over 100 plant-derived sweet compounds of 20 major structural types had been reported, and were isolated from more than 25 different families of green plants. Several of these highly sweet natural products are marketed as sweeteners or flavoring agents in some countries as pure compounds, compound mixtures, or refined extracts. These highly sweet natural substances are reviewed herein.

  12. A New Compound from Swertia cincta

    Institute of Scientific and Technical Information of China (English)

    Wen-xing Liu; Qian Tian; Cui Yang; Hai-yan Wu; Shang-xiu Li; Gan-peng Li

    2016-01-01

    Objective To study the chemical constituents from the whole plant of Swertia cincta.Methods The chemical constituents were purified by chromatographic methods such as silica gel column and Sephadex LH-20.The structures of these compounds were elucidated by MS,IR,and NMR analyses.Results Two compounds were isolated from S.cincta.Conclusion Compound 1 is a new compound named swercinctlactone A.Compound 2 is identified as (±)-gentiolactone and its configuration is confirmed by single crystal X-ray diffraction and optical specific rotation.

  13. Promiscuity progression of bioactive compounds over time.

    Science.gov (United States)

    Hu, Ye; Jasial, Swarit; Bajorath, Jürgen

    2015-01-01

    In the context of polypharmacology, compound promiscuity is rationalized as the ability of small molecules to specifically interact with multiple targets. To study promiscuity progression of bioactive compounds in detail, nearly 1 million compounds and more than 5.2 million activity records were analyzed. Compound sets were assembled by applying different data confidence criteria and selecting compounds with activity histories over many years. On the basis of release dates, compounds and activity records were organized on a time course, which ultimately enabled monitoring data growth and promiscuity progression over nearly 40 years, beginning in 1976. Surprisingly low degrees of promiscuity were consistently detected for all compound sets and there were only small increases in promiscuity over time. In fact, most compounds had a constant degree of promiscuity, including compounds with an activity history of 10 or 20 years. Moreover, during periods of massive data growth, beginning in 2007, promiscuity degrees also remained constant or displayed only minor increases, depending on the activity data confidence levels. Considering high-confidence data, bioactive compounds currently interact with 1.5 targets on average, regardless of their origins, and display essentially constant degrees of promiscuity over time. Taken together, our findings provide expectation values for promiscuity progression and magnitudes among bioactive compounds as activity data further grow.

  14. Veterinary Compounding: Regulation, Challenges, and Resources.

    Science.gov (United States)

    Davidson, Gigi

    2017-01-10

    The spectrum of therapeutic need in veterinary medicine is large, and the availability of approved drug products for all veterinary species and indications is relatively small. For this reason, extemporaneous preparation, or compounding, of drugs is commonly employed to provide veterinary medical therapies. The scope of veterinary compounding is broad and focused primarily on meeting the therapeutic needs of companion animals and not food-producing animals in order to avoid human exposure to drug residues. As beneficial as compounded medical therapies may be to animal patients, these therapies are not without risks, and serious adverse events may occur from poor quality compounds or excipients that are uniquely toxic when administered to a given species. Other challenges in extemporaneous compounding for animals include significant regulatory variation across the global veterinary community, a relative lack of validated compounding formulas for use in animals, and poor adherence by compounders to established compounding standards. The information presented in this article is intended to provide an overview of the current landscape of compounding for animals; a discussion on associated benefits, risks, and challenges; and resources to aid compounders in preparing animal compounds of the highest possible quality.

  15. Organic compounds in carbonaceous meteorites.

    Science.gov (United States)

    Sephton, Mark A

    2002-06-01

    The carbonaceous chondrite meteorites are fragments of asteroids that have remained relatively unprocessed since the formation of the solar system 4.6 billion years ago. These carbon-rich objects contain a variety of extraterrestrial organic molecules that constitute a record of chemical evolution prior to the origin of life. Compound classes include aliphatic hydrocarbons, aromatic hydrocarbons, amino acids, carboxylic acids, sulfonic acids, phosphonic acids, alcohols, aldehydes, ketones, sugars, amines, amides, nitrogen heterocycles, sulfur heterocycles and a relatively abundant high molecular weight macromolecular material. Structural and stable isotopic characteristics suggest that a number of environments may have contributed to the organic inventory, including interstellar space, the solar nebula and the asteroidal meteorite parent body. This review covers work published between 1950 and the present day and cites 193 references.

  16. Zirconium Compound with Boundless Prospects

    Institute of Scientific and Technical Information of China (English)

    LUO FangCheng; ZHENG JingYi; LV WenGuang; CHEN ZhongXi; WU FengFeng

    2001-01-01

    @@ Zirconium compound has a wide-ranging use in the field of high and new technology. It is published in 2000'CHINA HIGH AND NEW TECHNOLOGY PRODUCT CATALOGUE , CHINA HIGH and NEW TECHNOLOGY PRODUCT EXPORT CATALOGUE, and INTERNATIONAL KEY AND URGING DEVELOPMENT CATALOGUE OF PROPERTY, COMMODITY AND TECHNOLNGY Zirconia with the characteristic of electricity, magnetism, optics and mechanies, has good advantageous in making configurable ceramic and functional ceramic, such as band filter, resonator, buzzer and other electronic elements; optical lens, upholster crystallize glasses and other glass; synthetic tooth, synthetic bones and other biological ceramic products; new type axletree, engine, valve, airproof loop and other components of internal-combustion engine and steamship; ferrozirconium and other high temperature ceramic paint. It become a new material which has a wide-ranging use in the field of electron, spaceflight, aerospace, metallurgy, chemistry, biology, medicine and etc.

  17. Zirconium Compound with Boundless Prospects

    Institute of Scientific and Technical Information of China (English)

    LUO; FangCheng

    2001-01-01

    Zirconium compound has a wide-ranging use in the field of high and new technology. It is published in 2000'CHINA HIGH AND NEW TECHNOLOGY PRODUCT CATALOGUE , CHINA HIGH and NEW TECHNOLOGY PRODUCT EXPORT CATALOGUE, and INTERNATIONAL KEY AND URGING DEVELOPMENT CATALOGUE OF PROPERTY, COMMODITY AND TECHNOLNGY Zirconia with the characteristic of electricity, magnetism, optics and mechanies, has good advantageous in making configurable ceramic and functional ceramic, such as band filter, resonator, buzzer and other electronic elements; optical lens, upholster crystallize glasses and other glass; synthetic tooth, synthetic bones and other biological ceramic products; new type axletree, engine, valve, airproof loop and other components of internal-combustion engine and steamship; ferrozirconium and other high temperature ceramic paint. It become a new material which has a wide-ranging use in the field of electron, spaceflight, aerospace, metallurgy, chemistry, biology, medicine and etc.  ……

  18. New permanent magnets; manganese compounds.

    Science.gov (United States)

    Coey, J M D

    2014-02-12

    The exponential growth of maximum energy product that prevailed in the 20th century has stalled, leaving a market dominated by two permanent magnet materials, Nd2Fe14B and Ba(Sr)Fe12O19, for which the maximum theoretical energy products differ by an order of magnitude (515 kJ m(-3) and 45 kJ m(-3), respectively). Rather than seeking to improve on optimized Nd-Fe-B, it is suggested that some research efforts should be devoted to developing appropriately priced alternatives with energy products in the range 100-300 kJ m(-3). The prospects for Mn-based hard magnetic materials are discussed, based on known Mn-based compounds with the tetragonal L10 or D022 structure or the hexagonal B81 structure.

  19. Determination of 11 Kinds of Phenol and Aniline Dyes in Oxidative Hair Dyes by High Performance Liquid Chromatography-Tandem Mass Spectrometry%高效液相色谱-串联质谱法测定染发剂中11种苯胺和苯酚类染料

    Institute of Scientific and Technical Information of China (English)

    邵超英; 秦婷; 孙多志; 刘峻; 邵玉婉

    2014-01-01

    A method of simultaneous determination of the eleven phenol and aniline dyes in oxidative hair dyes by ultrasonic-assisted extraction and high performance liquid chromatography-tandem mass spectrometry was developed. The orthogonal and single-factor experiments were designed to and optimize the ultrasonic-assisted extraction conditions, and the samples were extracted using 10 mL of 5% methanol under the conditions of ascorbic acid as an antioxidant for 10 min. The gradient elution program and the electrospray ionization mode change were together used for the optimization of the measurements, and the determinations were completed by using the multi-reaction monitoring scan. The detection limits were 1. 15-9. 43 μg/g, the recoveries of spiked samples were 88. 0%-118. 1%. The method can be used to determine trace prohibited and restricted dyes in hair dyes.

  20. Synthesis and Ultraviolet Spectrum Analysis of Five Azophenols Compounds%五种偶氮苯酚的合成和紫外光谱分析

    Institute of Scientific and Technical Information of China (English)

    吴平; 任国庆; 鲍长坤; 陈颖; 夏文明

    2016-01-01

    以苯胺、水杨醛、水杨酸、对羟基苯甲醛、对羟基苯甲酸、对甲苯酚等为原料通过重氮偶合反应制得5种相应的偶氮苯酚化合物,粗产品以乙醇和水为溶剂重结晶纯化。通过紫外光谱对产物进行表征,考查了5种化合物中不同取代基种类及其位置对紫外吸收光谱的影响,随着甲基、醛基、羧基三种取代基的电负性的逐渐增大,不管酚羟基在偶氮键的邻位还是对位,最大吸收波长都逐渐发生红移。%The aniline, salicylic aldehyde, salicylic acid, hydroxy benzaldehyde, hydroxybenzoic acid and p-cresol were used as raw material occurring diazotization reaction to obtain five azophenols compounds, then crude products were purified by ethanol and water as recrystallization solvent. The products were characterized by UV spectra, and the effect on the UV absorption spectra of different substituents in the five compounds was investigated. Along with the increasing of electronegativity of the substituents ( methyl, aldehyde and carboxyl group) , regardless of phenolic hydroxyl in the ortho or para position of azo bond, the maximum absorption wavelength were gradually red shifted.

  1. Pt/PIC催化还原芳香硝基化合物制备芳胺%Pt/PIC catalyzed hydrogenation of aromatic nitro compounds to arylamine

    Institute of Scientific and Technical Information of China (English)

    张渊; 张瑞; 黄军; 朱福和

    2012-01-01

    制备了一种多孔离子型高聚物(简称离聚物PIC),利用扫描电镜、透射电镜等一系列手段对离聚物PIC的形貌、结构进行表征,并制备负载型纳米铂催化剂(Pt/PIC)用于温和条件下芳胺(如对苯二胺、邻苯二胺、2-溴苯胺等)的合成实验中。实验表明:在1 atm H2条件下,该Pt/PIC催化剂对于芳香硝基化合物还原氢化反应具有高的催化活性和选择性,尤其是还原性基团如醛基、酮基、氰基,在氢化还原相应硝基芳基化合物过程中未受影响,且高产率得到相应芳胺。%A porous ionic copolymer(PIC) was prepared and characterized by SEM,BET,and TEM.The morphology and structure was investigated.And a supported Pt nano-catalyst(Pt/PIC) was prepared and used for the synthesis of anilines(such as p-phenylenediamine,o-diaminobenzene,2-Bromoaniline,et al.) under mild conditions.The study results showed that Pt/PIC catalyst was highly active and selective for the hydrogenation of nitro aromatic compounds under 1 atm H2.Reducible groups such as aldehyde,ketone and nitrile were not attacked during the hydrogenation of the corresponding nitro compounds,and the corresponding anilines were obtained with high yield.

  2. Thermodynamic Study of Thermal Decomposition of Magnesium Chloride Compounds%一元氯化镁化合物热分解的热力学研究

    Institute of Scientific and Technical Information of China (English)

    贾茜; 陈镇; 吴玉龙; 杨明德; 王学魁; 唐娜

    2011-01-01

    The thermal decomposition mechanism of magnesium chloride compound was studied by quantum chemical theory, with Gaussian 03 package at RHF/6-31G (d) level. To four kinds of bischofite dehydration technology, the equilibrium geometries of reactants and products were calculated, and the standard thermodynamic parameters of main and side reaction paths in different temperature ranges were optimized respectively. The thermodynamic calculation results show that all above reactions are endothermic process and can take place non-spontaneously when reaction temperature is less than 1 000 K and pressure is 1.01 xlO5 Pa. Analyzed from thermodynamic theory, the thermal decomposition of magnesium chloride compounds favors to produce to the reaction of complex thermal decomposition method by aniline.%本文利用Gaussian 03程序,采用量子化学理论,在RHF/6-31G(d)水平上,对一元氯化镁化合物热分解反应机理进行了研究.在对现有4种水氯镁石脱水技术的反应物和产物几何构型进行能量梯度法全优化的同时,计算了不同温度下4种方法的主副反应路径的标准热力学参数(298.15~1 000 K).热力学计算结果表明:所有反应均为吸热反应,当压力为1.01×105 Pa、温度低于1000K时,所有反应都不能自发进行;从热力学的角度分析,热分解更有利于以苯胺为助剂的复盐法的发生.

  3. Prioritizing pesticide compounds for analytical methods development

    Science.gov (United States)

    Norman, Julia E.; Kuivila, Kathryn M.; Nowell, Lisa H.

    2012-01-01

    The U.S. Geological Survey (USGS) has a periodic need to re-evaluate pesticide compounds in terms of priorities for inclusion in monitoring and studies and, thus, must also assess the current analytical capabilities for pesticide detection. To meet this need, a strategy has been developed to prioritize pesticides and degradates for analytical methods development. Screening procedures were developed to separately prioritize pesticide compounds in water and sediment. The procedures evaluate pesticide compounds in existing USGS analytical methods for water and sediment and compounds for which recent agricultural-use information was available. Measured occurrence (detection frequency and concentrations) in water and sediment, predicted concentrations in water and predicted likelihood of occurrence in sediment, potential toxicity to aquatic life or humans, and priorities of other agencies or organizations, regulatory or otherwise, were considered. Several existing strategies for prioritizing chemicals for various purposes were reviewed, including those that identify and prioritize persistent, bioaccumulative, and toxic compounds, and those that determine candidates for future regulation of drinking-water contaminants. The systematic procedures developed and used in this study rely on concepts common to many previously established strategies. The evaluation of pesticide compounds resulted in the classification of compounds into three groups: Tier 1 for high priority compounds, Tier 2 for moderate priority compounds, and Tier 3 for low priority compounds. For water, a total of 247 pesticide compounds were classified as Tier 1 and, thus, are high priority for inclusion in analytical methods for monitoring and studies. Of these, about three-quarters are included in some USGS analytical method; however, many of these compounds are included on research methods that are expensive and for which there are few data on environmental samples. The remaining quarter of Tier 1

  4. High-Strength, Superelastic Compounds

    Science.gov (United States)

    Stanford, Malcolm; Noebe, Ronald; Dellacorte, Christopher; Bigelow, Glen; Thomas, Fransua

    2013-01-01

    In a previous disclosure, the use of 60- NiTiNOL, an ordered intermetallic compound composed of 60 weight percent nickel and 40 weight percent titanium, was investigated as a material for advanced aerospace bearings due to its unique combination of physical properties. Lessons learned during the development of applications for this material have led to the discovery that, with the addition of a ternary element, the resulting material can be thermally processed at a lower temperature to attain the same desirable hardness level as the original material. Processing at a lower temperature is beneficial, not only because it reduces processing costs from energy consumption, but because it also significantly reduces the possibility of quench cracking and thermal distortion, which have been problematic with the original material. A family of ternary substitutions has been identified, including Hf and Zr in various atomic percentages with varying concentrations of Ni and Ti. In the present innovation, a ternary intermetallic compound consisting of 57.6 weight percent Ni, 39.2 weight percent Ti, and 3.2 weight percent Hf (54Ni-45Ti-1Hf atomic percent) was prepared by casting. In this material, Hf substitutes for some of the Ti atoms in the material. In an alternate embodiment of the innovation, Zr, which is close in chemical behavior to Hf, is used as the substitutional element. With either substitution, the solvus temperature of the material is reduced, and lower temperatures can be used to obtain the necessary hardness values. The advantages of this innovation include the ability to solution-treat the material at a lower temperature and still achieve the required hardness for bearings (at least 50 Rockwell C) and superelastic behavior with recoverable strains greater than 2%. Most structural alloys will not return to their original shape after being deformed as little as 0.2% (a tenth of that possible with superelastic materials like 60 NiTiNOL). Because lower temperatures

  5. Organic electronic devices using phthalimide compounds

    Science.gov (United States)

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  6. Insecticidal Activity of Cyanohydrin and Monoterpenoid Compounds

    Directory of Open Access Journals (Sweden)

    Joel R. Coats

    2000-04-01

    Full Text Available The insecticidal activities of several cyanohydrins, cyanohydrin esters and monoterpenoid esters (including three monoterpenoid esters of a cyanohydrin were evaluated. Topical toxicity to Musca domestica L. adults was examined, and testing of many compounds at 100 mg/fly resulted in 100% mortality. Topical LD50 values of four compounds for M. domestica were calculated. Testing of many of the reported compounds to brine shrimp (Artemia franciscana Kellog resulted in 100% mortality at 10 ppm, and two compounds caused 100% mortality at 1 ppm. Aquatic LC50 values were calculated for five compounds for larvae of the yellow fever mosquito (Aedes aegypti (L.. Monoterpenoid esters were among the most toxic compounds tested in topical and aquatic bioassays.

  7. Compound cryopump for fusion reactors

    CERN Document Server

    Kovari, M; Shephard, T

    2013-01-01

    We reconsider an old idea: a three-stage compound cryopump for use in fusion reactors such as DEMO. The helium "ash" is adsorbed on a 4.5 K charcoal-coated surface, while deuterium and tritium are adsorbed at 15-22 K on a second charcoal-coated surface. The helium is released by raising the first surface to ~30 K. In a separate regeneration step, deuterium and tritium are released at ~110 K. In this way, the helium can be pre-separated from other species. In the simplest design, all three stages are in the same vessel, with a single valve to close the pump off from the tokamak during regeneration. In an alternative design, the three stages are in separate vessels, connected by valves, allowing the stages to regenerate without interfering with each other. The inclusion of the intermediate stage would not affect the overall pumping speed significantly. The downstream exhaust processing system could be scaled down, as much of the deuterium and tritium could be returned directly to the reactor. This could reduce ...

  8. High performance compound semiconductor SPAD arrays

    Science.gov (United States)

    Harmon, Eric S.; Naydenkov, Mikhail; Bowling, Jared

    2016-05-01

    Aggregated compound semiconductor single photon avalanche diode (SPAD) arrays are emerging as a viable alternative to the silicon photomultiplier (SiPM). Compound semiconductors have the potential to surpass SiPM performance, potentially achieving orders of magnitude lower dark count rates and improved radiation hardness. New planar processing techniques have been developed to enable compound semiconductor SPAD devices to be produced with pixel pitches of 11 - 25 microns, with thousands of SPADs per array.

  9. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying

    2010-02-01

    Biofouling causes huge economic loss and a recent global ban on organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. Five structurally similar compounds were isolated from the crude extract of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared to probe structure-activity relationships of compounds. The functional moiety responsible for antifouling activity lies in the 2-furanone ring and that the lipophilicity of compounds substantially affects their antifouling activities. Based on these findings, a compound with a straight alkyl side-chain was synthesized and proved itself as a very effective non-toxic, anti-larval settlement agent against three major fouling organisms. The strong antifouling activity, relatively low toxicity, and simple structures of these compounds make them promising candidates for new antifouling additives. © 2009 Elsevier Ltd. All rights reserved.

  10. Antimicrobial Action of Compounds from Marine Seaweed

    Directory of Open Access Journals (Sweden)

    María José Pérez

    2016-03-01

    Full Text Available Seaweed produces metabolites aiding in the protection against different environmental stresses. These compounds show antiviral, antiprotozoal, antifungal, and antibacterial properties. Macroalgae can be cultured in high volumes and would represent an attractive source of potential compounds useful for unconventional drugs able to control new diseases or multiresistant strains of pathogenic microorganisms. The substances isolated from green, brown and red algae showing potent antimicrobial activity belong to polysaccharides, fatty acids, phlorotannins, pigments, lectins, alkaloids, terpenoids and halogenated compounds. This review presents the major compounds found in macroalga showing antimicrobial activities and their most promising applications.

  11. Electronic structure and magnetism in actinide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Durakiewicz, T. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)]. E-mail: tomasz@lanl.gov; Joyce, J.J. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Lander, G.H. [JRC, Institute of Transuranium Elements, Postfach 2340, 76125 Karlsruhe (Germany); Olson, C.G. [Ames Laboratory, Iowa State University, Ames, Iowa 5011 (United States); Butterfield, M.T. [Lawrence Livermoore National Laboratory, Livermoore, CA 94550 (United States); Guziewicz, E. [Institute of Physics, Polish Academy of Sciences, 02-668 Warsaw (Poland); Batista, C.D. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Arko, A.J. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Morales, L. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Mattenberger, K. [Laboratorium fur Festkorperphysik, ETH, CH-8093, Zurich (Switzerland); Vogt, O. [Laboratorium fur Festkorperphysik, ETH, CH-8093, Zurich (Switzerland)

    2006-05-01

    A close relationship between electronic structure and magnetic properties is observed in actinide compounds. The exact nature of this relationship is under investigation. We present examples of a direct link between electronic structure and ordered magnetic moment and/or magnetization. Specifically, results obtained for cubic U, Np and Pu compounds and quasi-2D U compounds are be presented. In the case of cubic compounds, a direct relationship between binding energy of valence band features and magnetic moment will be discussed. A Stoner-like mechanism and simple mean-field explanation is proposed for ferromagnetic UTe.

  12. Hydrodesulfurization catalysis by Chevrel phase compounds

    Science.gov (United States)

    McCarty, Kevin F.; Schrader, Glenn L.

    1985-12-24

    A process is disclosed for the hydrodesulfurization of sulfur-containing hydrocarbon fuel with reduced ternary molybdenum sulfides, known as Chevrel phase compounds. Chevrel phase compounds of the general composition M.sub.x Mo.sub.6 S.sub.8, with M being Ho, Pb, Sn, Ag, In, Cu, Fe, Ni, or Co, were found to have hydrodesulfurization activities comparable to model unpromoted and cobalt-promoted MoS.sub.2 catalysts. The most active catalysts were the "large" cation compounds (Ho, Pb, Sn), and the least active catalysts were the "small" cation compounds (Cu, Fe, Ni, Co.).

  13. CHARACTERIZATION OF RUTIN-CYCLODEXTRIN INCLUSION COMPOUNDS

    Directory of Open Access Journals (Sweden)

    Andreia Corciovă

    2011-12-01

    Full Text Available The objectives of this study were to examine the potential of beta-cyclodextrin to improve the solubility of rutin and obtain inclusion compounds that were analyzed by different techniques: UV-Vis, IR spectroscopy, thermal analysis. The presence of β-cyclodextrin raises the content of rutin in water. The inclusion compounds were prepared by dry mixing, complexation in semisolid and liquid medium in 1:2 molar ratio rutin - β-cyclodextrin. The UV-Vis and IR analysis demonstrated the obtaining of inclusion compounds and the thermal analysis show that these compounds are more stable than the parent substance.

  14. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new carbon-functiona

  15. Exploring marine resources for bioactive compounds.

    Science.gov (United States)

    Kiuru, Paula; DʼAuria, M Valeria; Muller, Christian D; Tammela, Päivi; Vuorela, Heikki; Yli-Kauhaluoma, Jari

    2014-09-01

    Biodiversity in the seas is only partly explored, although marine organisms are excellent sources for many industrial products. Through close co-operation between industrial and academic partners, it is possible to successfully collect, isolate and classify marine organisms, such as bacteria, fungi, micro- and macroalgae, cyanobacteria, and marine invertebrates from the oceans and seas globally. Extracts and purified compounds of these organisms can be studied for several therapeutically and industrially significant biological activities, including anticancer, anti-inflammatory, antiviral, antibacterial, and anticoagulant activities by applying a wide variety of screening tools, as well as for ion channel/receptor modulation and plant growth regulation. Chromatographic isolation of bioactive compounds will be followed by structural determination. Sustainable cultivation methods for promising organisms and biotechnological processes for selected compounds can be developed, as well as biosensors for monitoring the target compounds. The (semi)synthetic modification of marine-based bioactive compounds produces their new derivatives, structural analogs and mimetics that could serve as hit or lead compounds and be used to expand compound libraries based on marine natural products. The research innovations can be targeted for industrial product development in order to improve the growth and productivity of marine biotechnology. Marine research aims at a better understanding of environmentally conscious sourcing of marine biotechnology products and increased public awareness of marine biodiversity. Marine research is expected to offer novel marine-based lead compounds for industries and strengthen their product portfolios related to pharmaceutical, nutraceutical, cosmetic, agrochemical, food processing, material and biosensor applications.

  16. Crystal structure analysis of intermetallic compounds

    Science.gov (United States)

    Conner, R. A., Jr.; Downey, J. W.; Dwight, A. E.

    1968-01-01

    Study concerns crystal structures and lattice parameters for a number of new intermetallic compounds. Crystal structure data have been collected on equiatomic compounds, formed between an element of the Sc, Ti, V, or Cr group and an element of the Co or Ni group. The data, obtained by conventional methods, are presented in an easily usable tabular form.

  17. Analysis of phenolic compounds for poultry feeds

    Science.gov (United States)

    Phenolic compounds have generated significant interest recently as feed additives that can impart bioactive characteristics such as anti-oxidant, anti-microbial, and anti-fungal properties to a feed formulation [1-2]. Such natural compounds may offer some preventive benefit to the routine administra...

  18. Bacterial formation of hydroxylated aromatic compounds.

    NARCIS (Netherlands)

    Tweel, van den W.J.J.

    1988-01-01

    As stated in the introduction of this thesis, hydroxylated aromatic compounds in general are of great importance for various industries as for instance pharmaceutical, agrochemical and petrochemical industries. Since these compounds can not be isolated in sufficient amounts from natural resources, t

  19. Preparation of Several Tritiated Macromolecular Compounds

    Institute of Scientific and Technical Information of China (English)

    CHEN; Bao-jun; YU; Ning-wen; FAN; Cai-yun

    2015-01-01

    Tritiated compounds are widely used in drug metabolism and pharmacokinetic studies.They play an important role in new drug research.Isotope exchange method is a very effective method for the preparation of tritiated compounds.It is particularly suitable for labeling macromolecule

  20. Amino acid modifiers in guayule rubber compounds

    Science.gov (United States)

    Tire producers are increasingly interested in biobased materials, including rubber but also as compounding chemicals. An alternative natural rubber for tire use is produced by guayule, a woody desert shrub native to North America. Alternative compounding chemicals include naturally-occurring amino a...

  1. Semantics vs Pragmatics of a Compound Word

    Science.gov (United States)

    Smirnova, Elena A.; Biktemirova, Ella I.; Davletbaeva, Diana N.

    2016-01-01

    This paper is devoted to the study of correlation between semantic and pragmatic potential of a compound word, which functions in informal speech, and the mechanisms of secondary nomination, which realizes the potential of semantic-pragmatic features of colloquial compounds. The relevance and the choice of the research question is based on the…

  2. Lattice anisotropy in uranium ternary compounds

    DEFF Research Database (Denmark)

    Maskova, S.; Adamska, A.M.; Havela, L.

    2012-01-01

    Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure...

  3. The mechanocaloric potential of spin crossover compounds

    OpenAIRE

    Sandeman, K. G.

    2016-01-01

    We present a first evaluation of the potential for spin crossover (SCO) compounds to be considered as a new class of giant mechanocaloric effect material. From literature data on the variation of the spin crossover temperature with pressure, we estimate the maximum available adiabatic temperature change for several compounds and the relatively low pressures that may be required to observe these effects.

  4. Hybrid Compounding in New Zealand English

    Science.gov (United States)

    Degani, Marta; Onysko, Alexander

    2010-01-01

    This study investigates hybrid compound formation of Maori and English terms in present day New Zealand English (NZE). On the background of Maori and English language contact, the phenomenon of hybrid compounding emerges as a process that, on the one hand, symbolizes the vitality of the Maori element in NZE and, on the other hand, marks the…

  5. Ambient Air Monitoring for Sulfur Compounds

    Science.gov (United States)

    Forrest, Joseph; Newman, Leonard

    1973-01-01

    A literature review of analytical techniques available for the study of compounds at low concentrations points up some of the areas where further research is needed. Compounds reviewed are sulfur dioxide, sulfuric acid, ammonium sulfate and bisulfate, metal sulfates, hydrogen sulfide, and organic sulfides. (BL)

  6. Bioactive compounds in whole grain wheat

    NARCIS (Netherlands)

    Mateo Anson, N.

    2010-01-01

    Bread can be healthier! Consuming whole-grain foods can prevent cardiovascular diseases, type-2 diabetes and metabolic syndrome. This is due to bioactive compounds in whole grain, such as antioxidants and anti-inflammatory compounds. We found that the different fractions of a wheat grain vary much i

  7. Heterogeneous photocatalytic reactions of sulfur aromatic compounds.

    Science.gov (United States)

    Samokhvalov, Alexander

    2011-11-18

    Sulfur aromatic compounds, such as mono-, di-, tri-, and tetraalkyl-substituted thiophene, benzothiophenes, dibenzothiophenes, are the molecular components of many fossils (petroleum, oil shale, tar sands, bitumen). Structural units of natural, cross-linked heteroaromatic polymers present in brown coals, turf, and soil are similar to those of sulfur aromatic compounds. Many sulfur aromatic compounds are found in the streams of petroleum refining and upgrading (naphthas, gas oils) and in the consumer products (gasoline, diesel, jet fuels, heating fuels). Besides fossils, the structural fragments of sulfur aromatic compounds are present in molecules of certain organic semiconductors, pesticides, small molecule drugs, and in certain biomolecules present in human body (pheomelanin pigments). Photocatalysis is the frontier area of physical chemistry that studies chemical reactions initiated by absorption of photons by photocatalysts, that is, upon electronic rather than thermal activation, under "green" ambient conditions. This review provides systematization and critical review of the fundamental chemical and physicochemical information on heterogeneous photocatalysis of sulfur aromatic compounds accumulated in the last 20-30 years. Specifically, the following topics are covered: physicochemical properties of sulfur aromatic compounds, major classes of heterogeneous photocatalysts, mechanisms and reactive intermediates of photocatalytic reactions of sulfur aromatic compounds, and the selectivity of these reactions. Quantum chemical calculations of properties and structures of sulfur aromatic compounds, their reactive intermediates, and the structure of adsorption complexes formed on the surface of the photocatalysts are also discussed.

  8. Two new compounds from Ganoderma lucidum.

    Science.gov (United States)

    Wang, Xin-Fang; Yan, Yong-Ming; Wang, Xin-Long; Ma, Xiu-Jing; Fu, Xue-Yan; Cheng, Yong-Xian

    2015-01-01

    Two pairs of new enantiomers, lucidulactones A and B (1 and 2), and two known compounds were isolated from Ganoderma lucidum. Their structures were determined by means of spectroscopic methods. The chiral HPLC was used to separate the ( - )- and (+)-antipodes of the new compounds.

  9. Volatile organic compound emissions from silage systems

    Science.gov (United States)

    As a precursor to smog, emission of volatile organic compounds (VOCs) to the atmosphere is an environmental concern in some regions. The major source from farms is silage, with emissions coming from the silo face, mixing wagon, and feed bunk. The major compounds emitted are alcohols with other impor...

  10. Bis(1,3-dithiole) Compounds

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Engler, E. M.; Green, D. C.;

    1977-01-01

    There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

  11. Chalcones: compounds possessing a diversity in applications

    OpenAIRE

    2012-01-01

    Chalcones are a class of α, β- unsaturated carbonyl compounds that form the central core for a variety of naturally occurring biologically active compounds. They exhibit tremendous potential to act as a pharmacological agent. Besides their various pharmacological activities, chalcones have been explored for different optical applications including second harmonic generation materials in non- linear optics, fluorescent probe for sensing different molecules.

  12. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....... compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...

  13. Methods of making organic compounds by metathesis

    Energy Technology Data Exchange (ETDEWEB)

    Abraham, Timothy W.; Kaido, Hiroki; Lee, Choon Woo; Pederson, Richard L.; Schrodi, Yann; Tupy, Michael John

    2015-09-01

    Described are methods of making organic compounds by metathesis chemistry. The methods of the invention are particularly useful for making industrially-important organic compounds beginning with starting compositions derived from renewable feedstocks, such as natural oils. The methods make use of a cross-metathesis step with an olefin compound to produce functionalized alkene intermediates having a pre-determined double bond position. Once isolated, the functionalized alkene intermediate can be self-metathesized or cross-metathesized (e.g., with a second functionalized alkene) to produce the desired organic compound or a precursor thereto. The method may be used to make bifunctional organic compounds, such as diacids, diesters, dicarboxylate salts, acid/esters, acid/amines, acid/alcohols, acid/aldehydes, acid/ketones, acid/halides, acid/nitriles, ester/amines, ester/alcohols, ester/aldehydes, ester/ketones, ester/halides, ester/nitriles, and the like.

  14. Potent acetylcholinesterase inhibitory compounds from Myristica fragrans.

    Science.gov (United States)

    Cuong, To Dao; Hung, Tran Manh; Han, Hyoung Yun; Roh, Hang Sik; Seok, Ji-Hyeon; Lee, Jong Kwon; Jeong, Ja Young; Choi, Jae Sue; Kim, Jeong Ah; Min, Byung Sun

    2014-04-01

    The anti-cholinesterase activity was evaluated of the ethyl acetate fraction of the methanol extract of Myristica fragrans Houtt (Myristicaceae) seeds and of compounds isolated from it by various chromatographic techniques. The chemical structures of the compounds were determined from spectroscopic analyses (NMR data). Thirteen compounds (1-13) were isolated and identified. Compound 8 { [(7S)-8'-(4'-hydroxy-3'-methoxyphenyl)-7-hydroxypropyl]benzene-2,4-diol) showed the most effective activity with an IC50 value of 35.1 microM, followed by compounds 2 [(8R,8'S)-7'-(3',4'-methylenedioxyphenyl)-8,8'-dimethyl-7-(3,4-dihydroxyphenyl)-butane] and 11 (malabaricone C) with IC50 values of 42.1 and 44.0 pM, respectively. This is the first report of significant anticholinesterase properties of M. fragrans seeds. The findings demonstrate that M. fragrans could be used beneficially in the treatment of Alzheimer's disease.

  15. Depyrogenation options for the compounding cleanroom.

    Science.gov (United States)

    Weller, Tom; Bell, Jeff; Dullinger, Roger; Allen, Vern; Anthenat, Bruce

    2014-01-01

    Compounding pharmacies, especially those awarded 503B status under the U.S. Federal Food, Drug, and Cosmetic Act that resulted from the Drug Quality and Security Act, must meet increasingly strict standards for the preparation of sterile formulations. Depyrogenating the containers and tools used in such compounding is essential to meeting those standards and ensuring patient safety. Although pyrogens are relatively thermally stable, treating aseptic-compounding glassware and implements in a dry-heat oven or tunnel is the most common method of depyrogenation. Depyrogenation tunnels are used at larger facilities in which automation and a higher throughput can justify the cost of that equipment, but a small batch oven is an inexpensive and appropriate solution to meeting sterilization and depyrogenation requirements in a smaller compounding pharmacy. In this article, we discuss the appropriate use of depyrogenation ovens and tunnels, compare those types of equipment, and describe the selection and use of a cleanroom oven in a compounding pharmacy.

  16. Water-soluble constituents of caraway: aromatic compound, aromatic compound glucoside and glucides.

    Science.gov (United States)

    Matsumura, Tetsuko; Ishikawa, Toru; Kitajima, Junichi

    2002-10-01

    From the water-soluble portion of the methanolic extract of caraway (fruit of Carum carvi L.), an aromatic compound, an aromatic compound glucoside and a glucide were isolated together with 16 known compounds. Their structures were clarified as 2-methoxy-2-(4'-hydroxyphenyl)ethanol, junipediol A 2-O-beta-D-glucopyranoside and L-fucitol, respectively.

  17. Biodegradable compounds: Rheological, mechanical and thermal properties

    Science.gov (United States)

    Nobile, Maria Rossella; Lucia, G.; Santella, M.; Malinconico, M.; Cerruti, P.; Pantani, R.

    2015-12-01

    Recently great attention from industry has been focused on biodegradable polyesters derived from renewable resources. In particular, PLA has attracted great interest due to its high strength and high modulus and a good biocompatibility, however its brittleness and low heat distortion temperature (HDT) restrict its wide application. On the other hand, Poly(butylene succinate) (PBS) is a biodegradable polymer with a low tensile modulus but characterized by a high flexibility, excellent impact strength, good thermal and chemical resistance. In this work the two aliphatic biodegradable polyesters PBS and PLA were selected with the aim to obtain a biodegradable material for the industry of plastic cups and plates. PBS was also blended with a thermoplastic starch. Talc was also added to the compounds because of its low cost and its effectiveness in increasing the modulus and the HDT of polymers. The compounds were obtained by melt compounding in a single screw extruder and the rheological, mechanical and thermal properties were investigated. The properties of the two compounds were compared and it was found that the values of the tensile modulus and elongation at break measured for the PBS/PLA/Talc compound make it interesting for the production of disposable plates and cups. In terms of thermal resistance the compounds have HDTs high enough to contain hot food or beverages. The PLA/PBS/Talc compound can be, then, considered as biodegradable substitute for polystyrene for the production of disposable plates and cups for hot food and beverages.

  18. Phenolic compounds in Ross Sea water

    Science.gov (United States)

    Zangrando, Roberta; Barbaro, Elena; Gambaro, Andrea; Barbante, Carlo; Corami, Fabiana; Kehrwald, Natalie; Capodaglio, Gabriele

    2016-04-01

    Phenolic compounds are semi-volatile organic compounds produced during biomass burning and lignin degradation in water. In atmospheric and paleoclimatic ice cores studies, these compounds are used as biomarkers of wood combustion and supply information on the type of combusted biomass. Phenolic compounds are therefore indicators of paleoclimatic interest. Recent studies of Antarctic aerosols highlighted that phenolic compounds in Antarctica are not exclusively attributable to biomass burning but also derive from marine sources. In order to study the marine contribution to aerosols we developed an analytical method to determine the concentration of vanillic acid, vanillin, p-coumaric acid, syringic acid, isovanillic acid, homovanillic acid, syringaldehyde, acetosyringone and acetovanillone present in dissolved and particle phases in Sea Ross waters using HPLC-MS/MS. The analytical method was validated and used to quantify phenolic compounds in 28 sea water samples collected during a 2012 Ross Sea R/V cruise. The observed compounds were vanillic acid, vanillin, acetovanillone and p-coumaric acid with concentrations in the ng/L range. Higher concentrations of analytes were present in the dissolved phase than in the particle phase. Sample concentrations were greatest in the coastal, surficial and less saline Ross Sea waters near Victoria Land.

  19. [Functional analysis of bioactive natural compounds using monoclonal antibodies against natural compounds].

    Science.gov (United States)

    Uto, Takuhiro

    2014-01-01

    Herbal medicines have recently attracted much importance owing to the rising interest in their health benefits. Hence, further elucidation of the functions and mechanisms of these natural compounds is necessary. Our laboratory has established more than 30 kinds of monoclonal antibodies (MAbs) against bioactive natural compounds. Moreover, we have developed highly sensitive measurement systems for natural compounds, such as enzyme-linked immunosorbent assay (ELISA) and eastern blotting using MAbs. To expand the application of these MAbs to the functional analysis of natural compounds, we established a new approach for the isolation of the target compound from plant extracts using an immunoaffinity column conjugated with an anti-natural compound MAb. Through one-step purification using a MAb-conjugated immunoaffinity column, we have succeeded in preparing a knockout (KO) extract containing all components except the target compound, used as a hapten. Furthermore, we examined the pharmacological effects of the KO extract to identify the precise roles of the bioactive compound in the plant extract. To confirm another beneficial use of MAbs, we investigated the cellular localization and target molecules of natural compounds by immunocytochemistry (ICC) and Western blotting using MAbs. Our results demonstrated that MAbs clearly determined the cellular localization and target molecules of the natural compounds. These approaches may make it possible to determine the potential functions and target molecules of bioactive natural compounds in herbal medicines.

  20. Method for the detection of aquaretic compounds

    DEFF Research Database (Denmark)

    2003-01-01

    Disclosed is a method for detecting an aquaretic compound. In one embodiment, the method includes administering to a mammal a candidate compound that modulates a nociceptin receptor. Biological material is isolated from the mammal and expression of aquaporin-2 is measured. Modulation of the aquap...... of the aquaporin-2 is taken to be indicative of a candidate compound having aquaretic activity. The invention has a wide spectrum of uses including helping to identify new diuretics that spare unwanted loss of sodium and potassium ions....

  1. Two novel compounds from Paeonia suffructicosa.

    Science.gov (United States)

    Lin, H C; Ding, H Y; Wu, Y C

    1998-03-01

    A new hexacyclic triterpenoid, mudanpinoic acid A (1), and a new gallic acid glycoside, mudanoside B (2), along with nine known compounds--benzoic acid, resacetophenone, paeoniflorigenone, beta-sitosterol, betulinic acid, oleanoic acid, quercetin, beta-sitosterol-beta-D-glucoside, and trans-caffeic acid stearyl ester-were isolated from the dried root cortex of Paeonia suffruticosa. The structures of the novel compounds were elucidated on the basis of spectral methods, and that of compound 1 was confirmed by X-ray crystallographic analysis.

  2. Nonlinear system compound inverse control method

    Institute of Scientific and Technical Information of China (English)

    Yan ZHANG; Zengqiang CHEN; Peng YANG; Zhuzhi YUAN

    2005-01-01

    A compound neural network is utilized to identify the dynamic nonlinear system.This network is composed of two parts: one is a linear neural network,and the other is a recurrent neural network.Based on the inverse theory a compound inverse control method is proposed.The controller has also two parts:a linear controller and a nonlinear neural network controller.The stability condition of the closed-loop neural network-based compound inverse control system is demonstrated based on the Lyapunov theory.Simulation studies have shown that this scheme is simple and has good control accuracy and robustness.

  3. Compound leaf development in model plant species.

    Science.gov (United States)

    Bar, Maya; Ori, Naomi

    2015-02-01

    Plant leaves develop in accordance with a common basic program, which is flexibly adjusted to the species, developmental stage and environment. Two key stages of leaf development are morphogenesis and differentiation. In the case of compound leaves, the morphogenesis stage is prolonged as compared to simple leaves, allowing for the initiation of leaflets. Here, we review recent advances in the understanding of how plant hormones and transcriptional regulators modulate compound leaf development, yielding a substantial diversity of leaf forms, focusing on four model compound leaf organisms: cardamine (Cardamine hirsuta), tomato (Solanum lycopersicum), medicago (Medicago truncatula) and pea (Pisum sativum).

  4. Periodicity effects on compound guided waves

    Science.gov (United States)

    Chiadini, Francesco; Fiumara, Vincenzo; Scaglione, Antonio; Lakhtakia, Akhlesh

    2016-09-01

    Surface waves of different types can be compounded when a homogeneous layer is sandwiched between two half spaces filled with dissimilar periodically non-homogeneous dielectric materials and the intermediate layer is sufficiently thin. We solved the boundary-value problem for compound waves guided by a layer of a homogeneous and isotropic (metal or dielectric) material sandwiched between a structurally chiral material (SCM) and a periodically multi-layered isotropic dielectric material. We found that the periodicity of the SCM is crucial to excite a multiplicity of compound guided waves with strong coupling between the two interfaces.

  5. A new caffeate compound from Nardostachys chinensis.

    Science.gov (United States)

    Chen, Ying-peng; Wang, Zhong-ping; Zheng, Hong-hong; Xu, Yan-tong; Zhu, Yani; Zhang, Peng; Wu, Hong-hua

    2016-01-01

    A new caffeate compound, (E)-erythro-syringylglyceryl caffeate (1), was isolated from the roots and rhizomes of Nardostachys chinensis Batal., together with nine known phenolic compounds, including (+)-licarin A (2), naringenin 4', 7-dimethyl ether (3), pinoresinol-4-O-β-D-glucoside (4), caraphenol A (5), Z-miyabenol C (6), protocatechuic acid (7), caffeic acid (8), gallic acid (9) and vanillic acid (10). Their chemical structures were elucidated on the basis of spectroscopic data and physicochemical properties. Furthermore, this is the first report of compounds 2, 5 and 6 from Nardostachys genus.

  6. Microbial production of scent and flavor compounds.

    Science.gov (United States)

    Carroll, Austin L; Desai, Shuchi H; Atsumi, Shota

    2016-02-01

    Scents and flavors like those of fresh oranges are no longer limited to just the natural product. Fruit, flower, and essential oil scents have found place in cosmetics, soaps, candles, and food amongst many common household products. With their increasing global demand and difficulty in extractation from the natural source, alternative methods of their production are being sought. One sustainable method is to employ microorganisms for the production of these high value compounds. With the tools of metabolic engineering, microorganisms can be modified to produce compounds such as esters, terpenoids, aldehydes, and methyl ketones. Approaches and challenges for the production of these compounds from microbial hosts are discussed in this review.

  7. Endocannabinoids, Related Compounds and Their Metabolic Routes

    Directory of Open Access Journals (Sweden)

    Filomena Fezza

    2014-10-01

    Full Text Available Endocannabinoids are lipid mediators able to bind to and activate cannabinoid receptors, the primary molecular targets responsible for the pharmacological effects of the Δ9-tetrahydrocannabinol. These bioactive lipids belong mainly to two classes of compounds: N-acylethanolamines and acylesters, being N-arachidonoylethanolamine (AEA and 2-arachidonoylglycerol (2-AG, respectively, their main representatives. During the last twenty years, an ever growing number of fatty acid derivatives (endocannabinoids and endocannabinoid-like compounds have been discovered and their activities biological is the subject of intense investigations. Here, the most recent advances, from a therapeutic point of view, on endocannabinoids, related compounds, and their metabolic routes will be reviewed.

  8. Endocannabinoids, related compounds and their metabolic routes.

    Science.gov (United States)

    Fezza, Filomena; Bari, Monica; Florio, Rita; Talamonti, Emanuela; Feole, Monica; Maccarrone, Mauro

    2014-10-24

    Endocannabinoids are lipid mediators able to bind to and activate cannabinoid receptors, the primary molecular targets responsible for the pharmacological effects of the Δ9-tetrahydrocannabinol. These bioactive lipids belong mainly to two classes of compounds: N-acylethanolamines and acylesters, being N-arachidonoylethanolamine (AEA) and 2-arachidonoylglycerol (2-AG), respectively, their main representatives. During the last twenty years, an ever growing number of fatty acid derivatives (endocannabinoids and endocannabinoid-like compounds) have been discovered and their activities biological is the subject of intense investigations. Here, the most recent advances, from a therapeutic point of view, on endocannabinoids, related compounds, and their metabolic routes will be reviewed.

  9. A growing codependency: compounding pharmacy and safety.

    Science.gov (United States)

    Prince, Bryan; Lundevall, Jeremy

    2013-01-01

    Pharmacists and pharmacy technicians are in constant contact with potent compounds. When compounding with powders, there is a susceptibility to environmental conditions such that proper containment be in place to keep the employees safe, the medicine free from cross contamination or the introduction of outside contaminants, and the workplace free from floating active pharmaceutical ingredient particles. Adapting powder hoods as safety devices that work in direct relation to clearly defined standard operating procedures and good lab practices will facilitate a safer lab environment for employees and ensure good-quality prescriptions. This article discusses the safety concerns of compounding with powders and the safety measures to consider when purchasing powder hoods.

  10. Pickpocket compounds from Latin to Romance

    DEFF Research Database (Denmark)

    Whitehead, Benedicte Nielsen

    This thesis discusses the development in Proto–Indo–European, Latin and Romance of a word–formation pattern which the most adequate terminology in use dubs ‘verbal government compounds with a governing first member’; I use the shorthand ‘pickpocket compounds’. The first member of such compounds......–noun, represented by truck–driver, has the deverbal member second and carries an agentive suffix, -er. Pickpocket compounds are attested in early strata of Greek and Indo–Iranian and in medieval strata of Germanic, Slavic and Romance. Latin has around a dozen examples. The scholarly debate, continued in this thesis...

  11. Synthesis of Novel Antifungal Triazole Compounds

    Institute of Scientific and Technical Information of China (English)

    Yong CHU; Ming Xia XU; Ding LU

    2004-01-01

    Based on our previous studies of 3D-QSAR, 38 novel objective compounds belonging to 4 series were designed and successfully synthesized directed by the idea of reconstructing the structure of non-pharmacophores while reserving essential ones in triazoles. In vitro pilot studies on their antifungal activities showed that most compounds have inhibitory effects on C.albicans and some inhibit S.cerevisiae also. The effects on C.albicans of 5 compounds are more potent than or equal to that of fluconazole or itraconazole.

  12. Food applications of natural antimicrobial compounds

    Directory of Open Access Journals (Sweden)

    Matteo Alessandro eDel Nobile

    2012-08-01

    Full Text Available In agreement with the current trend of giving value to natural and renewable resources, the use of natural antimicrobial compounds, particularly in food and biomedical applications, becomes very frequent. The direct addition of natural compounds to food is the most common method of application, even if numerous efforts have been made to find alternative solutions to the aim of avoiding undesirable inactivation. Dipping, spraying and coating treatment of food with active solutions are currently applied to product prior to packaging as valid options. The aim of the current work is to give an overview on the use of natural compounds in food sector. In particular, the review will gather numerous case-studies of meat, fish, dairy products, minimally processed fruit and vegetables and cereal-based products where these compounds found application.

  13. Trifluoromethylation of Carbonyl Compounds with Sodium Trifluoroacetate

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    In the presence of copper (Ⅰ) halide as catalyst, a variety of carbonyl compounds could be trifluoromethylated with sodium trifluoroacetate to give the corresponding alcohols in moderate to high yields.

  14. New approach for screeninganti-tumor compounds

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    A new screening approach for anticancer active compounds is presented. In this method, a target enzyme is incubated with a mixture of compounds, and then the complex formed by the target and small molecules is separated from the rest of the mixture by ultra-filtration. The complex that is retained on the membrane is subsequently washed with acid and small molecules that are specifically bound to the target are released and collected, then analyzed by high-performance liquid chromatograph combined with electrospray ionization mass spectrometry (HPLC/ESI-MS) analysis. We have successfully applied this method to screen anti-cancer compounds. DNA topoisomeraseⅡ is used as a target to capture anti-tumor candidates from a mixture of combinatorial compounds, such as doxorubicin, daunorubicin and pravastain.

  15. Compound Option Pricing under Fuzzy Environment

    Directory of Open Access Journals (Sweden)

    Xiandong Wang

    2014-01-01

    Full Text Available Considering the uncertainty of a financial market includes two aspects: risk and vagueness; in this paper, fuzzy sets theory is applied to model the imprecise input parameters (interest rate and volatility. We present the fuzzy price of compound option by fuzzing the interest and volatility in Geske’s compound option pricing formula. For each α, the α-level set of fuzzy prices is obtained according to the fuzzy arithmetics and the definition of fuzzy-valued function. We apply a defuzzification method based on crisp possibilistic mean values of the fuzzy interest rate and fuzzy volatility to obtain the crisp possibilistic mean value of compound option price. Finally, we present a numerical analysis to illustrate the compound option pricing under fuzzy environment.

  16. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    Science.gov (United States)

    Yoder, Claude H.

    1986-01-01

    Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

  17. Phytoestrogens: Plant-derived Estrogenic Compounds

    Directory of Open Access Journals (Sweden)

    Nevzat Konar

    2011-12-01

    Full Text Available Estrogen is a hormone, which is produced in ovary and testis; however, it has many biological effects besides the reproductive system. Phytoestrogens are the compounds, which have estrogen-like structure and activities, taking place in structure of various edible plants at different levels and in different compositions. These compounds attracted notice after the first quarter of 20th century upon they had been associated with infertility seen in some of animals fed with alfalfa, and these compounds have been identified in human-derived biological samples and its effects on health have been taken under study in the recent 30 years. These materials have especially antioxidant role in plants while they have activities in animals and humans as estrogen agonist and antagonists. Based on their chemical structure, they may be gathered under especially isoflavon and lignan groups while some of members of coumestan and stilbene groups are also identified as phytoestrogenic compound.

  18. Organolead compounds shown to be genetically active

    Energy Technology Data Exchange (ETDEWEB)

    Ahlberg, J.; Ramel, C.; Wachtmeister, C.A.

    1972-01-01

    The purpose of the present investigation was to determine whether alkyllead compounds would cause a genetic effect similar to that caused by alkyl mercury compounds. Experiments were conducted on Allium cepa (onion) in order to determine the effect of lead compounds on the spindle fiber mechanism. Results indicate that disturbances of the spindle fiber mechanism occur even at very low concentrations. The lowest concentration at which such effects are observed seems to be between 10/sup -6/ and 10/sup -7/ M for the organic compounds. Although no effect can be observed on the spindle fibers at lower dosages, the mitotic index is changed even at a dose of 10/sup -7/ M with dimethyllead. A preliminary experiment was made on Drosophila with triethyllead in order to investigate whether the effects which were observed on mitoses in Allium would also be observed in a meiotic cell system in an animal.

  19. Negative thermal expansion in framework compounds

    Indian Academy of Sciences (India)

    R Mittal

    2008-10-01

    We have studied negative thermal expansion (NTE) compounds with chemi- cal compositions of NX2O8 and NX2O7 (N=Zr, Hf and X=W, Mo, V) and M2O (M=Cu, Ag) using the techniques of inelastic neutron scattering and lattice dynamics. There is a large variation in the negative thermal expansion coefficients of these compounds. The inelastic neutron scattering experiments have been carried out using polycrystalline and single crystal samples at ambient pressure as well as at high pressures. Experimental data are useful to confirm the predictions made from our lattice dynamical calculations as well as to check the quality of the interatomic potentials developed by us. We have been able to successfully model the NTE behaviour of these compounds. Our studies show that unusual phonon softening of low energy modes is able to account for NTE in these compounds.

  20. Mechanochemical reactions on copper-based compounds

    NARCIS (Netherlands)

    Castricum, H.L.; Bakker, H.; Poels, E.K.

    1999-01-01

    Mechanochemical reactions of copper and copper oxides with oxygen and carbon dioxide are discussed, as well as decomposition and reduction of copper compounds by mechanical milling under high-vacuum conditions.

  1. Atmospheric Chemistry of Micrometeoritic Organic Compounds

    Science.gov (United States)

    Kress, M. E.; Belle, C. L.; Pevyhouse, A. R.; Iraci, L. T.

    2011-01-01

    Micrometeorites approx.100 m in diameter deliver most of the Earth s annual accumulation of extraterrestrial material. These small particles are so strongly heated upon atmospheric entry that most of their volatile content is vaporized. Here we present preliminary results from two sets of experiments to investigate the fate of the organic fraction of micrometeorites. In the first set of experiments, 300 m particles of a CM carbonaceous chondrite were subject to flash pyrolysis, simulating atmospheric entry. In addition to CO and CO2, many organic compounds were released, including functionalized benzenes, hydrocarbons, and small polycyclic aromatic hydrocarbons. In the second set of experiments, we subjected two of these compounds to conditions that simulate the heterogeneous chemistry of Earth s upper atmosphere. We find evidence that meteor-derived compounds can follow reaction pathways leading to the formation of more complex organic compounds.

  2. The Industrial Reduction of Aromatic Nitro Compounds.

    Science.gov (United States)

    Gilbert, G.

    1980-01-01

    Describes methods for enriching an A-level chemistry course with a series of chemical company visits. The rationale is discussed for an emphasis of the visits on the industrial reduction of aromatic nitro compounds. (CS)

  3. DNA Modification with Photochromic Spiro Compounds

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The photochromic spiropyrans and spirooxazine having a succinimidyl ester or isothiocyanate pendant group can form covalent products with transaminated DNA.The absorption spectra and solid reflection spectra of modified DNA with these photochromic spiro compounds were investigated.

  4. Security evaluation of compounded microbial flocculant

    Institute of Scientific and Technical Information of China (English)

    马放; 王博; 范春; 杨基先; 李百祥; 刘艳滨

    2004-01-01

    A new kind of compounded microbial flocculant (CMBF) for water and wastewater treatment has been developed through biological technology. In order to discuss its biological security, four groups of experiments, rat acute toxicity test via mouth, salmonella assay in vitro, mouse micronucleus in vivo test and teratogenesis test were conducted to evaluate its general toxicity, genotoxicity and generative toxicity. The experimental results showed that this type of compounded microbial fiocculant was a substantial non-toxic substance based on the fact that LD50 value was over 10 mg/kg. The results from salmonella in vivo test and mouse micronucleus in vivo test revealed that the compounded microbial flocculant is a genetically non-toxic substance. Furthermore, compounded microbial flocculant has little effect on the growth of all the rats, and any morphologic abnormal phenomenon hasnt appeared.

  5. Electrode reactions and electroanalysis of organomercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kurmaz, Vladimir A [Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation); Gul' tyai, Vadim P [N.D.Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow (Russian Federation)

    2010-06-09

    Characteristic features of mechanisms and kinetics of electrode reactions of organomercury compounds (symmetrical, non-symmetrical) and organomercury salts on a mercury electrode are analyzed. Attention is focused on the effect of coordination, adsorption and the nature and properties of intermediates on these processes as well as on the formation of organomercury derivatives in the adsorption of organic and hetero-organic compounds on a mercury electrode. The kinetics of heterogeneous chemical equilibrium {sup o}rganic calomel{sup -}symmetrical organomercury compound in the adsorption layer and the relative stability of intermediates in the one-electron reduction of organomercury salts are discussed as well as the electrolytic hydrogen evolution catalyzed by organomercury intermediates. The problems of combined and separate electrochemical quantitation of organic and inorganic mercury compounds in natural objects are considered.

  6. Techniques for Analysis of Plant Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Thomas H. Roberts

    2013-02-01

    Full Text Available Phenolic compounds are well-known phytochemicals found in all plants. They consist of simple phenols, benzoic and cinnamic acid, coumarins, tannins, lignins, lignans and flavonoids. Substantial developments in research focused on the extraction, identification and quantification of phenolic compounds as medicinal and/or dietary molecules have occurred over the last 25 years. Organic solvent extraction is the main method used to extract phenolics. Chemical procedures are used to detect the presence of total phenolics, while spectrophotometric and chromatographic techniques are utilized to identify and quantify individual phenolic compounds. This review addresses the application of different methodologies utilized in the analysis of phenolic compounds in plant-based products, including recent technical developments in the quantification of phenolics.

  7. Expatriate Compound Living: An Ethnographic Field Study

    DEFF Research Database (Denmark)

    Lauring, Jakob; Selmer, Jan

    2009-01-01

    ethnographic field-work methodology, including interviews and participant observation during a period of three months, this exploratory study investigated 16 Danish business expatriates of a large Danish corporation and their families living in the same compound in Saudi Arabia. They shared their spare time...... and the expatriates had the same working hours in the same subsidiary. Results show that a Danish national group was established and maintained. This in-group dominated life in the compound and at work it may have contributed to the perceptual bias and discriminatory behaviour demonstrated by the Danish expatriates......In certain countries, closed expatriate compounds have developed.  They serve to provide resident expatriates and accompanying family members with a comfortable and safe environment. Unfortunately, not much is known about compound life since associated empirical research is scarce. Through...

  8. BASF Launches New Compounding Plant in China

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    @@ BASF, a leading international chemical company,kicked off construction of an engineering plastics compounding plant Pudong Area in Shanghai in midMay. The new facility is a world-scale plant with annual capacity of 45,000 tons. It is one of the most modern compounding plants in the world today, with "the highest environmental standards and the most efficient production capabilities available," according to a BASF official.

  9. Techniques for Analysis of Plant Phenolic Compounds

    OpenAIRE

    Roberts, Thomas H.; Meredith A. Wilkes; Ali Khoddami

    2013-01-01

    Phenolic compounds are well-known phytochemicals found in all plants. They consist of simple phenols, benzoic and cinnamic acid, coumarins, tannins, lignins, lignans and flavonoids. Substantial developments in research focused on the extraction, identification and quantification of phenolic compounds as medicinal and/or dietary molecules have occurred over the last 25 years. Organic solvent extraction is the main method used to extract phenolics. Chemical procedures are used to detect the pre...

  10. Chalcones: compounds possessing a diversity in applications

    Directory of Open Access Journals (Sweden)

    Urmila Berar

    2012-10-01

    Full Text Available Chalcones are a class of α, β- unsaturated carbonyl compounds that form the central core for a variety of naturally occurring biologically active compounds. They exhibit tremendous potential to act as a pharmacological agent. Besides their various pharmacological activities, chalcones have been explored for different optical applications including second harmonic generation materials in non- linear optics, fluorescent probe for sensing different molecules.

  11. Health promoting compounds in vegetables and fruits:

    DEFF Research Database (Denmark)

    Brandt, K.; Christensen, L.P.; Hansen-Møller, J.

    2004-01-01

    Vegetables contain unknown compounds with important health promoting effect. The described project defined and tested a two-step screening procedure for identification of such compounds. Step 1 is initial screening according to three criteria: 1.1, chemically reactive functional groups; 1.2, toxi...... in bioassay; and 2.3, possibility to control content in food. Falcarinol from carrots fulfilled all 6 criteria and subsequently showed anticancer effect in rats....

  12. Microwave Resonant Absorption of Potential Exothermic Compounds

    Science.gov (United States)

    1989-12-22

    exothermic materials: lead azide, lead styphnate , PETN, composition B, black powder, nitrocellulose, boron barium Chromate, and M-30 exhibit sharp...the exothermic materials. Table 1. Compounds Tested Compound Source 1 Lead Azide Broco Inc, Rialto CA 2 Lead Styphnate 3 PETN 4 Comp B 5 Black Powder 6...Nitrocellulose (12.6% Nitration) 7 Boron Barium Chromate ICI America, Valley Forge, PA 8 M30 (Gun Propellent) Radford Army Ammunition Plant, Radford

  13. Two new compounds from Zingiber officinale

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new cyclic diarylheptanoid, 1,5-epoxy-3-hydroxy-1-(3-methoxy-4,5-dihydroxyphenyl)-7-(4-hydroxyphenyl)-heptane (1), as well as a new monoterpene, 10-O-β-D-glucopyranosyl-hydroxy cineole (2) were isolated from the rhizomes of Zingiber officinale.The structures of compounds 1 and 2 were established based on their spectral data. In addition, the antioxidant activities of these compounds were also measured.

  14. Carbonyl compounds generated from electronic cigarettes.

    Science.gov (United States)

    Bekki, Kanae; Uchiyama, Shigehisa; Ohta, Kazushi; Inaba, Yohei; Nakagome, Hideki; Kunugita, Naoki

    2014-10-28

    Electronic cigarettes (e-cigarettes) are advertised as being safer than tobacco cigarettes products as the chemical compounds inhaled from e-cigarettes are believed to be fewer and less toxic than those from tobacco cigarettes. Therefore, continuous careful monitoring and risk management of e-cigarettes should be implemented, with the aim of protecting and promoting public health worldwide. Moreover, basic scientific data are required for the regulation of e-cigarette. To date, there have been reports of many hazardous chemical compounds generated from e-cigarettes, particularly carbonyl compounds such as formaldehyde, acetaldehyde, acrolein, and glyoxal, which are often found in e-cigarette aerosols. These carbonyl compounds are incidentally generated by the oxidation of e-liquid (liquid in e-cigarette; glycerol and glycols) when the liquid comes in contact with the heated nichrome wire. The compositions and concentrations of these compounds vary depending on the type of e-liquid and the battery voltage. In some cases, extremely high concentrations of these carbonyl compounds are generated, and may contribute to various health effects. Suppliers, risk management organizations, and users of e-cigarettes should be aware of this phenomenon.

  15. Carbonyl Compounds Generated from Electronic Cigarettes

    Directory of Open Access Journals (Sweden)

    Kanae Bekki

    2014-10-01

    Full Text Available Electronic cigarettes (e-cigarettes are advertised as being safer than tobacco cigarettes products as the chemical compounds inhaled from e-cigarettes are believed to be fewer and less toxic than those from tobacco cigarettes. Therefore, continuous careful monitoring and risk management of e-cigarettes should be implemented, with the aim of protecting and promoting public health worldwide. Moreover, basic scientific data are required for the regulation of e-cigarette. To date, there have been reports of many hazardous chemical compounds generated from e-cigarettes, particularly carbonyl compounds such as formaldehyde, acetaldehyde, acrolein, and glyoxal, which are often found in e-cigarette aerosols. These carbonyl compounds are incidentally generated by the oxidation of e-liquid (liquid in e-cigarette; glycerol and glycols when the liquid comes in contact with the heated nichrome wire. The compositions and concentrations of these compounds vary depending on the type of e-liquid and the battery voltage. In some cases, extremely high concentrations of these carbonyl compounds are generated, and may contribute to various health effects. Suppliers, risk management organizations, and users of e-cigarettes should be aware of this phenomenon.

  16. Determination of Aniline,2-Aminophenol and 4-Aminophenol in Mesalazine Sustained Release Granules by Gas Chromatography%气相色谱法测定美沙拉嗪缓释颗粒中苯胺和2-氨基苯酚及4-氨基苯酚的含量

    Institute of Scientific and Technical Information of China (English)

    张雪玲; 于晓秋; 张玥; 崔雪丹; 王超众

    2016-01-01

    目的:建立气相色谱法测定美沙拉嗪缓释颗粒中苯胺、2-氨基苯酚、4-氨基苯酚等有关物质的含量。方法采用安捷伦HP-5(10 m×0.53 mm,2.65μm)毛细管柱,载气为高纯氮气,流速15 mL•min-1,氢火焰离子检测器( FID),进样口温度280℃,进样量4μL,检测器温度300℃,程序升温(起始温度70℃,保持2 min,以10℃•min-1的速率升温至150℃,维持6 min 。结果3个杂质分离度良好。苯胺、2-氨基苯酚、4-氨基苯酚的回收率在98.04%~103.00%。精密度、线性回归等良好。结论该方法能用于美沙拉嗪缓释颗粒的质量检测。%Objective To establish a gas chromatography ( GC) method for determination of aniline,2-aminophenol and 4-aminophenol in mesalamine sustained release granules. Methods An HP-5 (10 m×0.53 mm,2.65 μm) capillary GC column was adopted. The carrier gas was high purity nitrogen at a flow rate of 15 mL.min-1 . The inlet temperature was controlled at 280 ℃ and the FID detector temperature was 300℃. The oven temperature was initially held at 70℃ for 2 min and was then programmed to 150 ℃ at 10℃.min-1 and held for 6 min. Results A good resolution was obtained between the peaks of the 3 impurities at chromatographic conditions above. The recoveries of aniline, 2-aminophenol and 4-aminophenol were among 98.04% to 103.00%. The precision and linearity equations were good. Conclusion The method can be adopted for the quality control of mesalazine sustained release granules.

  17. Overloaded elution band profiles of ionizable compounds in reversed-phase liquid chromatography: Influence of the competition between the neutral and the ionic species

    Energy Technology Data Exchange (ETDEWEB)

    Gritti, Fabrice [University of Tennessee, Knoxville (UTK); Guiochon, Georges A [ORNL

    2008-01-01

    The parameters that affect the shape of the band profiles of acido-basic compounds under moderately overloaded conditions (sample size less than 500 nmol for a conventional column) in RPLC are discussed. Only analytes that have a single pK{sub a} are considered. In the buffer mobile phase used for their elution, their dissociation may, under certain conditions, cause a significant pH perturbation during the passage of the band. Two consecutive injections (3.3 and 10 {micro}L) of each one of three sample solutions (0.5, 5, and 50 mM) of ten compounds were injected on five C{sub 18}-bonded packing materials, including the 5 {micro}m Xterra-C{sub 18} (121 {angstrom}), 5 {micro}m Gemini-C{sub 18} (110 {angstrom}), 5 {micro}m Luna-C{sub 18}(2) (93 {angstrom}), 3.5 {micro}m Extend-C{sub 18} (80 {angstrom}), and 2.7 {micro}m Halo-C{sub 18} (90 {angstrom}). The mobile phase was an aqueous solution of methanol buffered at a constant {sub W}{sup W}pH of 6, with a phosphate buffer. The total concentration of the phosphate groups was constant at 50 mM. The methanol concentration was adjusted to keep all the retention factors between 1 and 10. The compounds injected were phenol, caffeine, 3-phenyl 1-propanol, 2-phenyl butyric acid, amphetamine, aniline, benzylamine, p-toluidine, procainamidium chloride, and propranololium chloride. Depending on the relative values of the analyte pK{sub a} and the buffer solution pH, these analytes elute as the neutral, the cationic, or the anionic species. The influence of structural parameters such as the charge, the size, and the hydrophobicity of the analytes on the shape of its overloaded band profile is discussed. Simple but general rules predict these shapes. An original adsorption model is proposed that accounts for the unusual peak shapes observed when the analyte is partially dissociated in the buffer solution during its elution.

  18. Discovery of a novel neuroprotective compound, AS1219164, by high-throughput chemical screening of a newly identified apoptotic gene marker.

    Science.gov (United States)

    Yamazaki, Takao; Muramoto, Masakazu; Okitsu, Osamu; Morikawa, Noriyuki; Kita, Yasuhiro

    2011-11-01

    We have reported that tacrolimus (FK506), an immunosuppressive drug, and diclofenac, a non-steroidal anti-inflammatory drug, possess different modes of neuroprotective action. FK506 suppresses only thapsigargin-induced apoptosis in neuroblastoma SH-SY5Y cells while diclofenac reverses tunicamycin-induced as well as thapsigargin-induced apoptosis. The aim of this study is to discover novel compounds that exert neuroprotective properties by using the transcriptional response of a newly identified gene, which was regulated by both FK506 and diclofenac, as a surrogate screening marker in high-throughput chemical screening and characterize the compounds in comparison with FK506 and diclofenac. Using a microarray with 4504 human cDNAs and quantitative RT-PCR, two genes as apoptotic markers, transmembrane protein 100 (TMEM100) and limb-bud and heart (LBH), were identified because the thapsigargin-induced elevations in their mRNA levels were reversed by both FK506 and diclofenac. A luciferase reporter assay with a TMEM100 promoter region was applied to high-throughput chemical screening. AS1219164, {3-[(E)-2-{5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-yl} vinyl]aniline}, suppressed thapsigargin-induced transactivation of the TMEM100 gene and reversed thapsigargin-induced increases in TMEM100 and LBH mRNA levels in SH-SY5Y cells, similar to the effects of FK506 and diclofenac. Furthermore, AS1219164 protected against SH-SY5Y cell death induced by four apoptotic agents including thapsigargin, similar to diclofenac, but was more potent than diclofenac, while FK506 only showed protective effects against thapsigargin-induced cell death. In conclusion, a novel neuroprotecitve compound, AS1219164, was discovered by high-throughput chemical screening using a reporter assay with the TMEM100 gene promoter regulated by both FK506 and diclofenac. Reporter assay using the promoter region of a gene under pharmacological and physiological transcriptional regulation would be well suit for use

  19. Synthesis of a new series of anti-rhinovirus compounds

    Institute of Scientific and Technical Information of China (English)

    Shi Yong Fan; Chun Lai Mi; Jun Yang; Song Li; Zhi Bing Zheng

    2007-01-01

    The synthesis of a series of 3,6-dichloropyridazine derivatives was described. In vitro experiment, all compounds exhibited an anti-rhinovirus activity, and one of the compounds 6g showed the comparable activity as our lead compound pirodavir.

  20. High Resolution Screening of biologically active compounds and metabolites

    NARCIS (Netherlands)

    Kool, J.

    2007-01-01

    High Resolution Screening of biologically active compounds and metabolites Jeroen Kool Biotransformation enzymes play a crucial role in the metabolism of both endogenous compounds and xenobiotics. Usually, the detoxication of these compounds by biotransformation enzymes results in harmless metab